#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5x s THR 7 N 0.00 0.87 -0.06 2.61 -4.23 -1.26 -1.69 115.64 111.87 3h5x s THR 7 Ca 0.00 -1.51 -0.02 0.00 -1.18 0.00 0.00 61.69 58.98 3h5x s THR 7 Cb 0.00 -1.20 0.03 0.00 1.34 0.00 0.00 72.50 72.67 3h5x s THR 7 CO 0.00 -0.51 0.03 -0.47 -0.54 0.00 0.00 174.62 173.14 3h5x s TYR 8 N -2.18 0.40 -1.26 3.99 5.04 0.12 -4.78 117.35 118.68 3h5x s TYR 8 Ca 0.02 -0.01 -0.03 0.00 -2.44 0.00 0.00 57.07 54.61 3h5x s TYR 8 Cb -0.05 -0.67 0.02 0.00 0.35 0.00 0.00 41.96 41.62 3h5x s TYR 8 CO 0.00 -0.28 0.19 0.00 -1.34 0.00 0.00 175.55 174.12 3h5x n GLY 10 N -1.01 0.72 3.54 0.00 0.00 -1.26 -4.62 105.19 102.56 3h5x n GLY 10 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3h5x n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5x s ALA 11 N -2.52 2.84 0.26 4.61 0.00 0.29 -4.97 121.76 122.28 3h5x s ALA 11 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 3h5x s ALA 11 Cb 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 23.12 22.20 3h5x s ALA 11 CO 0.00 0.62 1.52 -2.14 0.00 0.00 0.00 175.76 175.76 3h5x s PRO 12 N -2.07 4.20 -0.21 0.00 0.02 -1.26 0.10 135.00 135.79 3h5x s PRO 12 Ca 0.19 2.43 -0.23 0.00 0.02 0.00 0.00 61.00 63.41 3h5x s PRO 12 Cb -0.11 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 3h5x s PRO 12 CO 0.11 -0.53 0.75 0.42 -0.33 0.00 0.00 177.00 177.43 3h5x s ILE 13 N 0.07 4.92 -0.11 2.83 1.01 -0.68 -1.71 121.20 127.53 3h5x s ILE 13 Ca 0.62 1.43 0.16 0.00 0.00 0.00 0.00 60.65 62.86 3h5x s ILE 13 Cb -0.45 -4.05 -0.15 0.00 0.01 0.00 0.00 42.46 37.82 3h5x s ILE 13 CO 0.45 0.03 0.81 -0.07 0.00 0.00 0.00 174.94 176.15 3h5x h LEU 14 N 8.57 0.00 0.00 2.97 3.38 -1.08 -3.49 115.31 125.67 3h5x h LEU 14 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3h5x h LEU 14 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3h5x h LEU 14 CO 0.82 0.65 0.00 0.61 0.09 0.00 0.00 178.44 180.61 3h5x n GLY 15 N 1.42 -0.85 3.77 0.83 0.00 -1.14 -4.98 105.19 104.24 3h5x n GLY 15 Ca -0.11 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 3h5x n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h5x s PRO 16 N -1.62 2.13 0.34 1.61 0.04 -1.26 -0.46 135.00 135.77 3h5x s PRO 16 Ca 0.00 0.94 0.07 0.00 0.04 0.00 0.00 61.00 62.05 3h5x s PRO 16 Cb 0.00 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 3h5x s PRO 16 CO 0.00 -1.67 0.45 0.20 0.04 0.00 0.00 177.00 176.02 3h5x s GLY 17 N -3.58 1.63 -0.00 0.56 0.00 -1.00 -3.30 107.32 101.62 3h5x s GLY 17 Ca 0.61 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.85 3h5x s GLY 17 CO 0.56 -1.40 0.67 -1.14 0.00 0.00 0.00 173.10 171.78 3h5x n SER 18 N -1.61 0.41 -4.76 1.64 3.41 -1.22 -4.71 113.62 106.79 3h5x n SER 18 Ca -0.00 -1.37 -0.38 0.00 -0.26 0.00 0.00 58.87 56.85 3h5x n SER 18 Cb 0.58 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 3h5x n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h5x s ALA 19 N -0.26 2.98 0.56 7.33 0.00 -1.26 -4.97 121.76 126.13 3h5x s ALA 19 Ca 0.01 1.19 -0.21 0.00 0.00 0.00 0.00 51.96 52.96 3h5x s ALA 19 Cb 0.01 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3h5x s ALA 19 CO 0.00 -1.03 1.17 -2.30 0.00 0.00 0.00 175.76 173.61 3h5x n PRO 20 N -0.59 1.32 -1.28 0.00 -0.02 -1.26 -4.69 135.00 128.48 3h5x n PRO 20 Ca 0.08 0.49 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 3h5x n PRO 20 Cb 0.46 -2.37 0.11 0.00 -0.02 0.00 0.00 33.50 31.68 3h5x n PRO 20 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h5x n LYS 21 N -0.96 0.44 -2.01 -0.52 5.02 -1.26 -4.90 118.16 113.97 3h5x n LYS 21 Ca 0.12 0.22 -0.41 0.00 -2.02 0.00 0.00 58.31 56.22 3h5x n LYS 21 Cb 0.45 -2.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.03 3h5x n LYS 21 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h5x s LEU 22 N -4.87 4.39 0.25 -0.35 1.43 -1.26 -4.94 118.68 113.33 3h5x s LEU 22 Ca 0.75 2.77 -0.30 0.00 -1.03 0.00 0.00 54.13 56.32 3h5x s LEU 22 Cb -0.32 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.15 3h5x s LEU 22 CO 0.48 -0.67 1.43 -0.55 0.23 0.00 0.00 176.35 177.28 3h5x s SER 23 N -0.14 6.66 -0.13 2.29 0.15 -1.26 -4.92 113.70 116.36 3h5x s SER 23 Ca 0.53 2.66 0.15 0.00 0.70 0.00 0.00 55.95 60.00 3h5x s SER 23 Cb -0.42 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 61.82 3h5x s SER 23 CO 0.52 -0.69 1.47 0.35 1.20 0.00 0.00 173.24 176.10 3h5x n THR 24 N 2.22 1.92 -4.53 6.45 -2.24 -1.26 -4.91 114.28 111.93 3h5x n THR 24 Ca 0.06 -1.45 -0.25 0.00 -2.27 0.00 0.00 64.05 60.14 3h5x n THR 24 Cb 0.40 0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.55 3h5x n THR 24 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3h5x s LYS 25 N -2.14 1.79 0.10 -0.78 1.02 -1.26 -4.82 119.74 113.64 3h5x s LYS 25 Ca 0.41 -1.94 0.05 0.00 0.02 0.00 0.00 55.97 54.51 3h5x s LYS 25 Cb 0.29 -1.54 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 3h5x s LYS 25 CO 0.15 0.06 -0.12 -0.08 -0.92 0.00 0.00 175.35 174.45 3h5x s THR 26 N -2.75 1.08 -1.98 2.17 -1.32 -0.51 -4.92 115.64 107.41 3h5x s THR 26 Ca 0.33 -1.56 0.26 0.00 -1.21 0.00 0.00 61.69 59.50 3h5x s THR 26 Cb 0.05 -1.31 0.25 0.00 -1.51 0.00 0.00 72.50 69.98 3h5x s THR 26 CO 0.16 -0.43 1.49 2.29 -2.21 0.00 0.00 174.62 175.91 3h5x n LYS 27 N 0.75 1.11 -3.42 7.08 2.85 -1.26 -1.47 118.16 123.79 3h5x n LYS 27 Ca -0.17 -0.73 -0.38 0.00 -1.05 0.00 0.00 58.31 55.98 3h5x n LYS 27 Cb 0.57 -1.48 -0.06 0.00 -0.65 0.00 0.00 35.03 33.40 3h5x n LYS 27 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3h5x s PHE 28 N -2.40 3.60 -0.04 5.58 0.08 -1.26 -0.56 117.98 122.98 3h5x s PHE 28 Ca 0.25 0.90 0.04 0.00 0.12 0.00 0.00 56.93 58.24 3h5x s PHE 28 Cb 0.19 -2.41 -0.00 0.00 -0.57 0.00 0.00 43.02 40.23 3h5x s PHE 28 CO 0.49 0.38 -0.17 -1.58 -0.10 0.00 0.00 175.22 174.24 3h5x s TRP 29 N -0.12 1.66 0.43 0.36 0.52 0.48 -4.63 118.94 117.64 3h5x s TRP 29 Ca 0.24 -0.47 -0.26 0.00 0.02 0.00 0.00 56.10 55.63 3h5x s TRP 29 Cb -0.15 -1.12 -0.09 0.00 -1.15 0.00 0.00 33.47 30.95 3h5x s TRP 29 CO 0.11 -0.16 1.46 1.03 0.02 0.00 0.00 176.95 179.41 3h5x s ARG 30 N 0.03 3.78 0.04 4.98 1.81 -0.87 -0.59 118.95 128.13 3h5x s ARG 30 Ca -0.03 2.49 0.28 0.00 -1.72 0.00 0.00 55.73 56.74 3h5x s ARG 30 Cb -0.11 -2.74 1.05 0.00 -0.45 0.00 0.00 34.95 32.70 3h5x s ARG 30 CO 0.02 -0.77 1.83 -1.13 -0.68 0.00 0.00 175.30 174.57 3h5x n SER 31 N -0.03 0.22 -2.52 0.23 3.41 -0.25 -1.92 113.62 112.75 3h5x n SER 31 Ca 0.04 0.42 -0.02 0.00 -0.26 0.00 0.00 58.87 59.05 3h5x n SER 31 Cb 0.41 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.92 3h5x n SER 31 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h5x n SER 32 N -1.66 -1.21 -1.34 4.04 3.41 -1.26 -4.66 113.62 110.95 3h5x n SER 32 Ca 0.06 -1.66 0.12 0.00 -0.26 0.00 0.00 58.87 57.14 3h5x n SER 32 Cb 0.36 1.97 0.32 0.00 -0.26 0.00 0.00 64.21 66.60 3h5x n SER 32 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h5x n THR 33 N -0.48 0.94 -1.73 6.66 -2.24 -1.26 -4.92 114.28 111.25 3h5x n THR 33 Ca -0.02 -0.96 -0.38 0.00 -2.27 0.00 0.00 64.05 60.42 3h5x n THR 33 Cb 0.39 0.53 0.05 0.00 -2.10 0.00 0.00 70.33 69.21 3h5x n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h5x n ALA 34 N 1.64 1.39 -1.78 6.98 0.00 -1.26 -4.92 120.51 122.55 3h5x n ALA 34 Ca 0.24 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 3h5x n ALA 34 Cb 0.62 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 3h5x n ALA 34 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3h5x s PRO 35 N -2.97 4.16 0.01 0.00 0.02 -1.26 -4.96 135.00 129.99 3h5x s PRO 35 Ca 0.74 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.96 3h5x s PRO 35 Cb -0.41 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.06 3h5x s PRO 35 CO 0.47 -0.49 1.31 -0.51 -0.33 0.00 0.00 177.00 177.45 3h5x s LEU 36 N -1.67 4.32 0.32 -5.54 1.43 -1.26 -4.99 118.68 111.28 3h5x s LEU 36 Ca 0.54 2.03 -0.28 0.00 -1.03 0.00 0.00 54.13 55.39 3h5x s LEU 36 Cb -0.45 -3.57 -0.13 0.00 0.03 0.00 0.00 46.19 42.07 3h5x s LEU 36 CO 0.58 -0.63 1.19 -2.65 0.23 0.00 0.00 176.35 175.06 3h5x n PRO 37 N 4.92 1.83 -1.62 1.29 -0.02 -1.26 -4.83 135.00 135.30 3h5x n PRO 37 Ca 0.12 0.64 -0.49 0.00 -2.02 0.00 0.00 63.50 61.75 3h5x n PRO 37 Cb 0.45 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 3h5x n PRO 37 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3h5x n PRO 38 N 0.66 1.60 0.00 0.52 -0.02 -1.26 -1.89 135.00 134.60 3h5x n PRO 38 Ca 0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3h5x n PRO 38 Cb 0.34 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3h5x n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h5x n GLY 39 N 2.76 1.18 3.76 -1.23 0.00 -1.26 -5.04 105.19 105.37 3h5x n GLY 39 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3h5x n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h5x s THR 40 N -2.38 2.02 0.72 2.61 2.01 -0.79 -4.76 115.64 115.06 3h5x s THR 40 Ca 0.00 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 3h5x s THR 40 Cb 0.00 -3.01 0.03 0.00 0.01 0.00 0.00 72.50 69.53 3h5x s THR 40 CO 0.00 0.00 1.22 -0.31 -0.69 0.00 0.00 174.62 174.85 3h5x s TYR 41 N -0.49 2.04 0.16 4.92 1.51 -1.26 -4.69 117.35 119.54 3h5x s TYR 41 Ca 0.59 1.58 0.02 0.00 -1.01 0.00 0.00 57.07 58.25 3h5x s TYR 41 Cb -0.48 -3.51 -0.04 0.00 -0.11 0.00 0.00 41.96 37.82 3h5x s TYR 41 CO 0.55 -2.67 -0.01 -1.21 -1.11 0.00 0.00 175.55 171.10 3h5x s GLU 42 N -3.82 1.04 0.36 -0.62 2.02 -0.69 -4.81 118.70 112.18 3h5x s GLU 42 Ca 0.76 -1.49 -0.28 0.00 0.02 0.00 0.00 54.97 53.97 3h5x s GLU 42 Cb -0.31 -0.22 -0.11 0.00 0.10 0.00 0.00 34.13 33.60 3h5x s GLU 42 CO 0.44 -0.12 1.40 -2.14 0.02 0.00 0.00 175.26 174.87 3h5x s PRO 43 N -3.91 4.22 0.76 0.39 0.02 -1.26 -0.59 135.00 134.63 3h5x s PRO 43 Ca 0.22 2.41 -0.15 0.00 0.02 0.00 0.00 61.00 63.49 3h5x s PRO 43 Cb 0.06 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3h5x s PRO 43 CO 0.02 -0.37 0.74 0.00 -0.33 0.00 0.00 177.00 177.06 3h5x n ALA 44 N 0.61 -1.06 -1.51 -1.55 0.00 -0.47 -4.84 120.51 111.68 3h5x n ALA 44 Ca 0.01 -0.29 -0.48 0.00 0.00 0.00 0.00 53.44 52.68 3h5x n ALA 44 Cb 0.40 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 3h5x n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3h5x n TYR 45 N -2.71 0.61 0.50 0.00 9.36 -1.26 -4.94 117.16 118.72 3h5x n TYR 45 Ca 0.11 0.82 0.07 0.00 3.32 0.00 0.00 57.90 62.22 3h5x n TYR 45 Cb 0.50 -2.14 0.08 0.00 -0.63 0.00 0.00 39.34 37.15 3h5x n TYR 45 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3h5x n LEU 46 N 1.68 2.31 0.00 2.98 4.77 -1.26 -5.04 117.00 122.43 3h5x n LEU 46 Ca 0.14 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 3h5x n LEU 46 Cb 0.27 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3h5x n LEU 46 CO 0.59 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 3h5x n GLY 47 N 0.81 -0.74 0.32 -0.72 0.00 -1.26 -4.47 105.19 99.12 3h5x n GLY 47 Ca 0.09 -2.17 0.21 0.00 0.00 0.00 0.00 46.02 44.15 3h5x n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h5x h GLY 48 N 0.00 0.00 -1.75 -0.02 0.00 -1.85 -0.90 103.07 98.56 3h5x h GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h5x h GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3h5x n LYS 49 N -2.97 3.08 -1.67 4.80 5.02 -1.26 -4.52 118.16 120.65 3h5x n LYS 49 Ca -0.03 -2.54 -0.44 0.00 -2.02 0.00 0.00 58.31 53.29 3h5x n LYS 49 Cb 0.09 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.44 3h5x n LYS 49 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3h5x n ASP 50 N 0.21 3.95 0.02 4.39 -0.08 -0.34 -4.83 116.55 119.87 3h5x n ASP 50 Ca 0.18 0.92 0.04 0.00 -1.51 0.00 0.00 54.79 54.43 3h5x n ASP 50 Cb 0.71 -1.48 0.18 0.00 2.34 0.00 0.00 41.12 42.87 3h5x n ASP 50 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3h5x n PRO 51 N 7.23 0.02 0.04 -0.67 -0.04 -1.26 -2.10 135.00 138.21 3h5x n PRO 51 Ca 0.21 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 64.21 3h5x n PRO 51 Cb 0.37 -1.56 0.04 0.00 -0.04 0.00 0.00 33.50 32.32 3h5x n PRO 51 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h5x n ARG 52 N -1.60 0.33 -4.11 0.54 1.74 -1.26 -4.89 116.66 107.40 3h5x n ARG 52 Ca 0.01 0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.92 3h5x n ARG 52 Cb 0.07 -1.63 -0.16 0.00 -1.02 0.00 0.00 32.46 29.72 3h5x n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h5x s VAL 53 N -3.22 0.43 -0.28 1.55 1.01 -0.89 -5.04 120.40 113.96 3h5x s VAL 53 Ca 0.03 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 3h5x s VAL 53 Cb 0.14 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 3h5x s VAL 53 CO 0.79 0.19 0.23 -0.54 0.00 0.00 0.00 175.10 175.77 3h5x s LYS 54 N 0.85 3.96 -1.11 2.72 1.02 -1.26 -4.47 119.74 121.44 3h5x s LYS 54 Ca -0.11 -0.25 -0.06 0.00 0.02 0.00 0.00 55.97 55.58 3h5x s LYS 54 Cb -0.13 -3.66 0.01 0.00 -0.52 0.00 0.00 37.83 33.52 3h5x s LYS 54 CO -0.00 -0.21 0.96 0.41 -0.92 0.00 0.00 175.35 175.59 3h5x n GLY 55 N 4.98 -0.29 2.16 -3.33 0.00 -1.26 -5.03 105.19 102.42 3h5x n GLY 55 Ca -0.13 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 3h5x n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5x n GLY 56 N -1.61 -0.94 3.77 -0.02 0.00 -1.26 -5.05 105.19 100.08 3h5x n GLY 56 Ca -0.05 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 3h5x n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h5x s PRO 57 N -4.48 2.31 0.79 1.61 0.04 -1.26 -4.71 135.00 129.30 3h5x s PRO 57 Ca 0.41 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 3h5x s PRO 57 Cb -0.01 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.69 3h5x s PRO 57 CO 0.29 -1.60 1.09 -1.54 0.04 0.00 0.00 177.00 175.28 3h5x s SER 58 N -3.44 4.37 0.38 6.66 1.04 -1.26 -3.97 113.70 117.48 3h5x s SER 58 Ca 0.61 1.68 0.15 0.00 0.48 0.00 0.00 55.95 58.86 3h5x s SER 58 Cb -0.17 -2.40 0.77 0.00 0.10 0.00 0.00 66.02 64.33 3h5x s SER 58 CO 0.56 -2.10 1.83 -0.07 0.98 0.00 0.00 173.24 174.45 3h5x h LEU 59 N -1.17 0.00 -0.72 2.42 3.38 -1.94 -1.82 115.31 115.46 3h5x h LEU 59 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 3h5x h LEU 59 Cb 1.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3h5x h LEU 59 CO 0.53 0.36 0.35 1.56 0.09 0.00 0.00 178.44 181.34 3h5x h GLN 60 N 0.00 1.04 -0.49 1.13 7.50 -1.98 -0.69 115.11 121.62 3h5x h GLN 60 Ca -0.00 -0.15 -0.10 0.00 0.50 0.00 0.00 58.65 58.90 3h5x h GLN 60 Cb 0.67 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 28.00 3h5x h GLN 60 CO 0.05 0.81 -0.09 0.37 -1.50 0.00 0.00 178.83 178.47 3h5x h GLN 61 N 1.01 0.93 -0.69 1.46 5.75 -1.84 -1.87 115.11 119.86 3h5x h GLN 61 Ca 0.25 -0.34 0.05 0.00 -0.15 0.00 0.00 58.65 58.46 3h5x h GLN 61 Cb 0.11 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.55 3h5x h GLN 61 CO -0.03 1.00 0.40 0.28 -2.65 0.00 0.00 178.83 177.83 3h5x h VAL 62 N 0.78 1.02 -0.48 2.39 2.07 -1.12 -1.31 116.25 119.60 3h5x h VAL 62 Ca 0.13 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3h5x h VAL 62 Cb 0.64 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3h5x h VAL 62 CO 0.04 0.14 0.12 -0.03 0.02 0.00 0.00 177.57 177.86 3h5x h MET 63 N 0.76 0.77 -0.64 1.57 1.85 -0.97 -2.54 114.93 115.74 3h5x h MET 63 Ca 0.29 -0.18 0.12 0.00 -0.61 0.00 0.00 59.70 59.32 3h5x h MET 63 Cb 0.12 -0.10 -0.09 0.00 0.43 0.00 0.00 31.60 31.96 3h5x h MET 63 CO -0.15 0.75 0.18 0.00 -0.40 0.00 0.00 176.91 177.28 3h5x h ARG 64 N 0.65 0.31 -0.72 0.39 3.08 -1.02 -0.00 114.38 117.07 3h5x h ARG 64 Ca 0.15 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.28 3h5x h ARG 64 Cb 0.32 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 3h5x h ARG 64 CO 0.00 0.20 0.47 -0.44 -1.07 0.00 0.00 179.97 179.14 3h5x h ASP 65 N 0.32 0.56 0.88 7.04 3.32 -0.88 -1.74 116.42 125.91 3h5x h ASP 65 Ca 0.34 0.01 -0.23 0.00 0.02 0.00 0.00 57.03 57.17 3h5x h ASP 65 Cb 0.49 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3h5x h ASP 65 CO -0.39 0.34 -1.06 1.56 -1.72 0.00 0.00 179.24 177.97 3h5x h GLN 66 N 0.62 0.08 -0.03 3.56 1.08 -0.69 -3.32 115.11 116.42 3h5x h GLN 66 Ca 0.33 -0.14 -0.19 0.00 -1.45 0.00 0.00 58.65 57.20 3h5x h GLN 66 Cb 0.46 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 3h5x h GLN 66 CO -0.11 1.05 -0.82 -0.07 -0.95 0.00 0.00 178.83 177.93 3h5x h LEU 67 N 0.02 0.37 -0.81 1.46 3.38 -0.59 -3.37 115.31 115.79 3h5x h LEU 67 Ca -0.05 -0.28 0.14 0.00 0.09 0.00 0.00 57.88 57.78 3h5x h LEU 67 Cb 1.81 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 42.35 3h5x h LEU 67 CO 0.15 1.04 0.40 0.11 0.09 0.00 0.00 178.44 180.23 3h5x h LYS 68 N 0.18 0.57 0.00 1.13 1.57 -1.43 -0.29 116.57 118.30 3h5x h LYS 68 Ca -0.04 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3h5x h LYS 68 Cb 1.42 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 3h5x h LYS 68 CO 0.13 0.38 -0.01 -1.35 -0.57 0.00 0.00 179.45 178.03 3h5x h PRO 69 N 0.58 0.00 0.00 3.15 0.11 -1.78 -1.02 132.00 133.05 3h5x h PRO 69 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3h5x h PRO 69 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3h5x h PRO 69 CO -0.36 0.01 0.00 0.74 -0.21 0.00 0.00 178.00 178.19 3h5x h PHE 70 N 0.00 0.00 -0.01 0.65 -1.00 -1.24 -3.14 116.94 112.20 3h5x h PHE 70 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3h5x h PHE 70 Cb 0.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.59 3h5x h PHE 70 CO 0.00 0.00 -0.31 0.25 -1.61 0.00 0.00 178.31 176.64 3h5x n THR 71 N -2.59 0.00 -1.51 -1.55 -2.24 -0.41 -4.32 114.28 101.65 3h5x n THR 71 Ca 0.02 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 3h5x n THR 71 Cb 0.32 1.15 0.10 0.00 -2.10 0.00 0.00 70.33 69.79 3h5x n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h5x s GLU 72 N -1.71 1.93 0.49 -0.78 2.02 -1.07 -4.97 118.70 114.61 3h5x s GLU 72 Ca 0.11 0.64 -0.23 0.00 0.02 0.00 0.00 54.97 55.50 3h5x s GLU 72 Cb 0.11 -1.90 -0.07 0.00 0.10 0.00 0.00 34.13 32.37 3h5x s GLU 72 CO 0.36 -1.73 1.31 -2.30 0.02 0.00 0.00 175.26 172.92 3h5x n PRO 73 N -3.51 1.81 -1.72 0.39 -0.02 -1.26 -4.99 135.00 125.71 3h5x n PRO 73 Ca 0.07 0.66 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 3h5x n PRO 73 Cb 0.56 -2.49 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3h5x n PRO 73 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3h5x s ARG 74 N -2.57 3.12 0.74 -0.52 1.81 -1.26 -5.08 118.95 115.19 3h5x s ARG 74 Ca 0.66 0.97 -0.12 0.00 -1.72 0.00 0.00 55.73 55.52 3h5x s ARG 74 Cb -0.45 -2.01 0.18 0.00 -0.45 0.00 0.00 34.95 32.22 3h5x s ARG 74 CO 0.53 -0.96 0.69 0.41 -0.68 0.00 0.00 175.30 175.29 3h5x n GLY 75 N -1.90 -2.52 3.76 -3.53 0.00 -1.26 -4.95 105.19 94.80 3h5x n GLY 75 Ca 0.07 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 3h5x n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5x s LYS 76 N -4.55 4.65 0.46 1.61 1.02 0.39 -4.80 119.74 118.52 3h5x s LYS 76 Ca 0.44 1.76 -0.24 0.00 0.02 0.00 0.00 55.97 57.95 3h5x s LYS 76 Cb -0.04 -3.18 -0.07 0.00 -0.52 0.00 0.00 37.83 34.02 3h5x s LYS 76 CO 0.33 0.23 1.30 -2.14 -0.92 0.00 0.00 175.35 174.16 3h5x s PRO 77 N -1.45 3.65 0.49 -1.68 0.02 -1.26 -4.24 135.00 130.53 3h5x s PRO 77 Ca 0.44 2.13 -0.23 0.00 0.02 0.00 0.00 61.00 63.37 3h5x s PRO 77 Cb -0.31 -2.52 -0.08 0.00 0.02 0.00 0.00 34.50 31.61 3h5x s PRO 77 CO 0.40 -0.75 1.18 -2.30 -0.33 0.00 0.00 177.00 175.20 3h5x n PRO 78 N -0.38 1.54 -1.70 5.54 -0.02 -1.26 -4.84 135.00 133.88 3h5x n PRO 78 Ca 0.07 0.56 -0.56 0.00 -2.02 0.00 0.00 63.50 61.55 3h5x n PRO 78 Cb 0.45 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 3h5x n PRO 78 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3h5x n LYS 79 N -0.43 1.29 -0.30 -0.52 4.81 -1.26 -4.73 118.16 117.02 3h5x n LYS 79 Ca 0.10 0.47 0.13 0.00 -0.87 0.00 0.00 58.31 58.14 3h5x n LYS 79 Cb 0.42 -2.17 0.28 0.00 0.02 0.00 0.00 35.03 33.58 3h5x n LYS 79 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3h5x h PRO 80 N 7.23 0.13 -0.04 1.64 0.11 -1.99 0.58 132.00 139.66 3h5x h PRO 80 Ca -0.47 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3h5x h PRO 80 Cb 1.31 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3h5x h PRO 80 CO 0.94 0.09 -0.58 0.66 -0.21 0.00 0.00 178.00 178.90 3h5x h SER 81 N 0.13 0.13 -0.17 -2.05 4.64 -1.99 -1.15 113.55 113.09 3h5x h SER 81 Ca 0.55 -0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.63 3h5x h SER 81 Cb 1.12 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3h5x h SER 81 CO -0.73 0.68 -0.58 0.58 -0.87 0.00 0.00 176.83 175.91 3h5x h VAL 82 N 0.09 1.31 -0.76 0.95 2.07 -1.31 -1.84 116.25 116.76 3h5x h VAL 82 Ca -0.00 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 3h5x h VAL 82 Cb 1.05 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 3h5x h VAL 82 CO 0.08 0.57 0.44 0.25 0.02 0.00 0.00 177.57 178.93 3h5x h LEU 83 N 0.38 0.92 -0.46 2.57 5.85 -1.04 0.15 115.31 123.69 3h5x h LEU 83 Ca -0.03 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3h5x h LEU 83 Cb 1.21 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3h5x h LEU 83 CO 0.12 0.73 0.29 -0.08 -0.34 0.00 0.00 178.44 179.16 3h5x h GLU 84 N 1.04 0.62 -0.69 1.25 4.57 -1.23 -0.81 114.58 119.34 3h5x h GLU 84 Ca 0.27 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.35 3h5x h GLU 84 Cb -0.01 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 3h5x h GLU 84 CO -0.05 0.45 0.22 0.00 -1.18 0.00 0.00 179.01 178.45 3h5x h ALA 85 N 1.14 1.09 -0.57 2.92 0.00 -0.83 -2.01 119.26 120.99 3h5x h ALA 85 Ca 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3h5x h ALA 85 Cb -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3h5x h ALA 85 CO -0.03 0.62 0.27 0.00 0.00 0.00 0.00 179.25 180.11 3h5x h ALA 86 N 1.22 0.73 -0.04 0.00 0.00 -0.48 -1.58 119.26 119.11 3h5x h ALA 86 Ca 0.23 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3h5x h ALA 86 Cb 0.28 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3h5x h ALA 86 CO -0.01 0.29 -0.15 -0.22 0.00 0.00 0.00 179.25 179.16 3h5x h LYS 87 N 0.77 -0.22 -0.86 0.00 3.64 -0.90 -1.46 116.57 117.53 3h5x h LYS 87 Ca 0.19 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.66 3h5x h LYS 87 Cb 0.12 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 3h5x h LYS 87 CO -0.02 -0.15 0.56 0.87 -2.27 0.00 0.00 179.45 178.44 3h5x h LYS 88 N -0.23 0.91 -0.50 1.90 1.57 -1.21 -0.83 116.57 118.17 3h5x h LYS 88 Ca 0.06 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3h5x h LYS 88 Cb 0.32 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3h5x h LYS 88 CO -0.18 0.60 0.18 1.15 -0.57 0.00 0.00 179.45 180.63 3h5x h THR 89 N 0.94 1.22 -0.43 -0.16 2.02 -0.83 -0.79 112.91 114.88 3h5x h THR 89 Ca 0.38 -0.72 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 3h5x h THR 89 Cb 0.25 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3h5x h THR 89 CO -0.14 0.27 0.09 0.40 0.37 0.00 0.00 175.52 176.51 3h5x h ILE 90 N 0.67 1.24 -0.65 3.11 2.04 -0.40 -1.25 117.51 122.27 3h5x h ILE 90 Ca 0.16 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.25 3h5x h ILE 90 Cb 0.24 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3h5x h ILE 90 CO -0.01 0.29 0.34 0.40 0.00 0.00 0.00 178.15 179.18 3h5x h ILE 91 N 0.57 0.92 -0.35 -0.67 2.04 -1.01 -0.75 117.51 118.26 3h5x h ILE 91 Ca 0.13 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3h5x h ILE 91 Cb 0.34 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3h5x h ILE 91 CO 0.00 0.11 0.19 0.78 0.00 0.00 0.00 178.15 179.24 3h5x h ASN 92 N 0.62 0.44 -0.12 1.72 2.35 -0.75 0.15 115.58 120.00 3h5x h ASN 92 Ca 0.30 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 56.00 3h5x h ASN 92 Cb 0.24 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3h5x h ASN 92 CO -0.21 0.40 -0.09 0.58 -1.65 0.00 0.00 177.43 176.46 3h5x h VAL 93 N 0.44 0.73 -0.43 2.81 2.07 -0.84 -2.35 116.25 118.69 3h5x h VAL 93 Ca 0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3h5x h VAL 93 Cb 0.06 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3h5x h VAL 93 CO -0.02 0.00 0.17 -0.07 0.02 0.00 0.00 177.57 177.67 3h5x h LEU 94 N -0.10 0.60 -1.38 2.57 3.38 -0.95 -2.74 115.31 116.68 3h5x h LEU 94 Ca 0.08 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.97 3h5x h LEU 94 Cb 0.21 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3h5x h LEU 94 CO -0.18 0.60 0.50 -0.33 0.09 0.00 0.00 178.44 179.12 3h5x h GLU 95 N 0.56 0.69 0.00 1.13 5.08 -0.56 -0.47 114.58 121.00 3h5x h GLU 95 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3h5x h GLU 95 Cb 0.19 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3h5x h GLU 95 CO -0.01 0.45 0.00 1.04 -1.00 0.00 0.00 179.01 179.49 3h5x n GLN 96 N -4.50 0.18 -0.05 2.33 6.02 -0.90 -4.47 117.38 116.00 3h5x n GLN 96 Ca 0.12 0.15 -0.10 0.00 -0.01 0.00 0.00 57.00 57.16 3h5x n GLN 96 Cb 0.31 -1.71 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 3h5x n GLN 96 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3h5x n THR 97 N -2.03 0.64 -2.69 5.09 -1.04 -0.49 -5.07 114.28 108.68 3h5x n THR 97 Ca 0.06 -0.10 -0.21 0.00 -2.04 0.00 0.00 64.05 61.76 3h5x n THR 97 Cb 0.40 -1.66 0.03 0.00 -1.82 0.00 0.00 70.33 67.28 3h5x n THR 97 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3h5x s ILE 98 N -2.20 2.84 0.43 12.58 -4.36 -0.31 -5.07 121.20 125.11 3h5x s ILE 98 Ca -0.14 -0.66 0.07 0.00 -0.26 0.00 0.00 60.65 59.66 3h5x s ILE 98 Cb 0.05 -3.06 -0.05 0.00 1.25 0.00 0.00 42.46 40.65 3h5x s ILE 98 CO 0.18 -0.04 0.14 -1.81 0.24 0.00 0.00 174.94 173.65 3h5x s ASP 99 N -4.40 4.28 0.12 4.36 1.01 -1.26 -4.86 116.67 115.92 3h5x s ASP 99 Ca 0.56 -1.21 -0.31 0.00 0.71 0.00 0.00 52.55 52.30 3h5x s ASP 99 Cb -0.10 -0.31 -0.10 0.00 1.01 0.00 0.00 42.92 43.41 3h5x s ASP 99 CO 0.38 -0.59 1.85 -2.84 0.21 0.00 0.00 175.17 174.19 3h5x s PRO 100 N -3.88 4.13 0.45 8.23 0.02 -1.26 -4.96 135.00 137.73 3h5x s PRO 100 Ca 0.36 2.62 -0.20 0.00 0.02 0.00 0.00 61.00 63.80 3h5x s PRO 100 Cb 0.05 -3.62 -0.10 0.00 0.02 0.00 0.00 34.50 30.84 3h5x s PRO 100 CO 0.20 -0.86 0.97 -1.25 -0.33 0.00 0.00 177.00 175.72 3h5x s PRO 101 N 2.84 4.13 0.51 5.54 0.04 -1.26 -5.02 135.00 141.77 3h5x s PRO 101 Ca 0.82 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 62.74 3h5x s PRO 101 Cb -0.46 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 3h5x s PRO 101 CO 0.37 -0.12 1.27 -0.51 0.04 0.00 0.00 177.00 178.05 3h5x s ASP 102 N -2.37 5.63 0.47 6.66 1.01 -1.26 -4.68 116.67 122.14 3h5x s ASP 102 Ca 0.62 2.56 -0.21 0.00 0.71 0.00 0.00 52.55 56.23 3h5x s ASP 102 Cb -0.10 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.13 3h5x s ASP 102 CO 0.18 -1.31 1.09 -0.54 0.21 0.00 0.00 175.17 174.80 3h5x s LYS 103 N -2.84 3.78 -0.18 8.23 1.02 -1.26 -4.02 119.74 124.47 3h5x s LYS 103 Ca 0.69 1.53 -0.01 0.00 0.02 0.00 0.00 55.97 58.19 3h5x s LYS 103 Cb -0.35 -2.24 -0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3h5x s LYS 103 CO 0.42 -0.48 -0.11 -1.58 -0.92 0.00 0.00 175.35 172.68 3h5x s TRP 104 N -1.77 2.86 1.00 3.18 0.52 -1.26 -4.94 118.94 118.54 3h5x s TRP 104 Ca 0.65 -1.05 -0.16 0.00 0.02 0.00 0.00 56.10 55.57 3h5x s TRP 104 Cb -0.22 -1.98 0.20 0.00 -1.15 0.00 0.00 33.47 30.32 3h5x s TRP 104 CO 0.26 -0.53 1.23 -1.54 0.02 0.00 0.00 176.95 176.39 3h5x s SER 105 N 1.12 2.72 0.20 2.95 1.04 -1.26 -4.71 113.70 115.75 3h5x s SER 105 Ca 0.01 0.52 -0.11 0.00 0.48 0.00 0.00 55.95 56.84 3h5x s SER 105 Cb -0.14 -0.73 0.13 0.00 0.10 0.00 0.00 66.02 65.37 3h5x s SER 105 CO -0.03 -3.00 1.87 0.15 0.98 0.00 0.00 173.24 173.20 3h5x h PHE 106 N -1.82 0.87 -0.49 5.02 3.57 -1.99 -0.82 116.94 121.27 3h5x h PHE 106 Ca -0.46 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 3h5x h PHE 106 Cb 1.27 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 3h5x h PHE 106 CO -1.06 0.55 0.19 0.00 -2.23 0.00 0.00 178.31 175.76 3h5x h ALA 107 N 1.25 0.64 -0.58 2.41 0.00 -1.93 -0.93 119.26 120.12 3h5x h ALA 107 Ca 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3h5x h ALA 107 Cb -0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3h5x h ALA 107 CO -0.05 0.26 0.29 1.96 0.00 0.00 0.00 179.25 181.71 3h5x h GLN 108 N 0.66 0.84 -0.08 0.00 4.20 -1.86 -1.25 115.11 117.61 3h5x h GLN 108 Ca 0.16 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3h5x h GLN 108 Cb 0.21 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3h5x h GLN 108 CO -0.01 0.67 0.05 0.00 -0.67 0.00 0.00 178.83 178.87 3h5x h ALA 109 N 1.12 0.10 -0.68 3.87 0.00 -0.93 -2.12 119.26 120.61 3h5x h ALA 109 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3h5x h ALA 109 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3h5x h ALA 109 CO -0.03 -0.40 0.39 0.00 0.00 0.00 0.00 179.25 179.22 3h5x h ALA 111 N 1.20 1.49 0.00 0.00 0.00 -1.02 -2.97 119.26 117.96 3h5x h ALA 111 Ca 0.24 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3h5x h ALA 111 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3h5x h ALA 111 CO -0.04 0.37 -0.23 0.66 0.00 0.00 0.00 179.25 180.00 3h5x h SER 112 N 0.41 0.00 -4.08 0.00 4.64 -1.07 -3.46 113.55 110.00 3h5x h SER 112 Ca 0.09 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.92 3h5x h SER 112 Cb 0.26 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.41 3h5x h SER 112 CO 0.01 0.23 0.42 -0.76 -0.87 0.00 0.00 176.83 175.85 3h5x s LEU 113 N -7.30 3.79 -0.29 5.97 1.43 -1.12 -4.97 118.68 116.18 3h5x s LEU 113 Ca -0.02 2.09 -0.29 0.00 -1.03 0.00 0.00 54.13 54.88 3h5x s LEU 113 Cb 0.12 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.77 3h5x s LEU 113 CO 0.64 -1.06 1.33 -0.62 0.23 0.00 0.00 176.35 176.87 3h5x s ASP 114 N -1.84 6.64 0.00 2.29 -1.08 -1.26 -4.90 116.67 116.52 3h5x s ASP 114 Ca 0.71 1.24 0.30 0.00 -0.52 0.00 0.00 52.55 54.28 3h5x s ASP 114 Cb -0.21 -2.54 1.41 0.00 -1.46 0.00 0.00 42.92 40.12 3h5x s ASP 114 CO 0.24 -1.10 1.95 0.29 0.52 0.00 0.00 175.17 177.08 3h5x n LYS 115 N 7.35 1.13 0.00 4.34 4.76 -1.26 -3.68 118.16 130.80 3h5x n LYS 115 Ca 0.15 -0.39 0.13 0.00 -2.87 0.00 0.00 58.31 55.32 3h5x n LYS 115 Cb 0.46 -1.49 0.33 0.00 -1.84 0.00 0.00 35.03 32.49 3h5x n LYS 115 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3h5x n THR 116 N -0.59 0.00 -4.18 -0.18 -2.24 -1.26 -0.78 114.28 105.04 3h5x n THR 116 Ca 0.19 -0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.68 3h5x n THR 116 Cb 0.24 0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 3h5x n THR 116 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3h5x s THR 117 N -2.82 2.21 0.58 4.28 -4.23 -1.24 -4.83 115.64 109.59 3h5x s THR 117 Ca 0.16 -1.72 -0.19 0.00 -1.18 0.00 0.00 61.69 58.76 3h5x s THR 117 Cb 0.18 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 3h5x s THR 117 CO 0.62 0.00 1.18 -0.55 -0.54 0.00 0.00 174.62 175.34 3h5x s SER 118 N -3.90 5.35 0.00 3.99 0.15 -1.26 -1.84 113.70 116.18 3h5x s SER 118 Ca 0.39 2.32 0.30 0.00 0.70 0.00 0.00 55.95 59.66 3h5x s SER 118 Cb 0.04 -2.59 1.51 0.00 -1.71 0.00 0.00 66.02 63.27 3h5x s SER 118 CO 0.21 -1.48 2.04 -1.54 1.20 0.00 0.00 173.24 173.67 3h5x n SER 119 N -1.51 0.11 0.00 5.45 3.41 0.34 -4.79 113.62 116.63 3h5x n SER 119 Ca 0.13 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3h5x n SER 119 Cb 0.50 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3h5x n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h5x n GLY 120 N 1.24 -0.12 3.77 5.00 0.00 -1.25 -0.97 105.19 112.86 3h5x n GLY 120 Ca 0.16 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 3h5x n GLY 120 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h5x s HIS 121 N 0.00 2.82 -1.40 1.61 5.65 -1.26 -0.37 115.29 122.35 3h5x s HIS 121 Ca 0.00 1.43 0.23 0.00 0.25 0.00 0.00 55.06 56.97 3h5x s HIS 121 Cb 0.00 -3.63 0.03 0.00 -1.18 0.00 0.00 32.58 27.80 3h5x s HIS 121 CO 0.00 -2.01 1.09 -0.35 -0.65 0.00 0.00 174.74 172.82 3h5x n PRO 122 N 0.04 0.46 0.05 2.88 -0.04 -1.26 -4.25 135.00 132.88 3h5x n PRO 122 Ca 0.04 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 3h5x n PRO 122 Cb 0.44 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 3h5x n PRO 122 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3h5x h HIS 123 N 0.88 0.00 -6.45 0.54 3.86 -1.86 -3.49 115.15 108.64 3h5x h HIS 123 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 3h5x h HIS 123 Cb 0.58 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.99 3h5x h HIS 123 CO 0.00 0.57 -0.85 0.72 0.86 0.00 0.00 177.93 179.23 3h5x n HIS 124 N -2.94 -1.80 -4.42 2.45 8.25 0.50 -4.97 115.22 112.29 3h5x n HIS 124 Ca -0.08 0.80 -0.33 0.00 -0.26 0.00 0.00 57.72 57.85 3h5x n HIS 124 Cb 0.82 -3.74 -0.10 0.00 1.12 0.00 0.00 29.99 28.09 3h5x n HIS 124 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3h5x s MET 125 N -6.54 2.72 0.03 -0.41 -1.94 -1.26 -4.82 119.30 107.09 3h5x s MET 125 Ca 0.23 -0.61 -0.33 0.00 -1.71 0.00 0.00 55.69 53.27 3h5x s MET 125 Cb -0.12 -2.61 -0.12 0.00 2.01 0.00 0.00 34.83 33.99 3h5x s MET 125 CO 0.87 0.63 1.78 -2.13 -0.01 0.00 0.00 175.02 176.17 3h5x n ARG 126 N 1.71 2.32 -0.30 2.03 0.63 -1.26 -0.51 116.66 121.28 3h5x n ARG 126 Ca -0.16 0.84 0.10 0.00 -0.92 0.00 0.00 57.85 57.71 3h5x n ARG 126 Cb 0.53 -2.68 0.33 0.00 0.45 0.00 0.00 32.46 31.08 3h5x n ARG 126 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3h5x h LYS 127 N 8.14 0.78 0.00 -0.14 1.57 -1.40 -0.24 116.57 125.28 3h5x h LYS 127 Ca -0.47 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3h5x h LYS 127 Cb 1.26 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3h5x h LYS 127 CO 0.93 0.52 0.00 -1.71 -0.57 0.00 0.00 179.45 178.61 3h5x n ASN 128 N -4.58 0.42 -0.00 0.86 4.05 0.04 -1.30 115.26 114.76 3h5x n ASN 128 Ca 0.18 0.65 0.14 0.00 0.45 0.00 0.00 54.58 56.00 3h5x n ASN 128 Cb 0.42 -0.72 0.60 0.00 1.23 0.00 0.00 39.78 41.30 3h5x n ASN 128 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3h5x n ASP 129 N -2.02 0.03 -2.67 1.20 8.00 -0.10 -3.74 116.55 117.25 3h5x n ASP 129 Ca 0.01 0.44 -0.09 0.00 0.71 0.00 0.00 54.79 55.86 3h5x n ASP 129 Cb 0.11 -0.45 0.03 0.00 -0.02 0.00 0.00 41.12 40.79 3h5x n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h5x s TRP 131 N -3.20 0.13 -2.11 0.00 -0.11 -1.18 -0.63 118.94 111.84 3h5x s TRP 131 Ca 0.28 0.17 0.22 0.00 1.22 0.00 0.00 56.10 57.98 3h5x s TRP 131 Cb 0.45 -0.44 0.57 0.00 -1.50 0.00 0.00 33.47 32.55 3h5x s TRP 131 CO 0.03 -0.17 1.48 0.27 -4.62 0.00 0.00 176.95 173.94 3h5x n ASN 132 N 4.90 3.55 0.00 5.86 0.23 -0.77 -4.93 115.26 124.10 3h5x n ASN 132 Ca -0.12 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 3h5x n ASN 132 Cb 0.50 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 3h5x n ASN 132 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h5x n GLY 133 N 1.56 3.00 0.00 4.83 0.00 -1.26 -4.79 105.19 108.53 3h5x n GLY 133 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3h5x n GLY 133 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h5x n GLU 134 N -1.17 3.46 -4.04 1.61 0.28 -1.26 -5.04 120.64 114.48 3h5x n GLU 134 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 3h5x n GLU 134 Cb 0.00 -0.58 -0.09 0.00 1.43 0.00 0.00 31.44 32.20 3h5x n GLU 134 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3h5x s SER 135 N -0.68 0.41 0.64 -1.84 1.04 -1.26 -4.80 113.70 107.21 3h5x s SER 135 Ca 0.00 -0.93 -0.14 0.00 0.48 0.00 0.00 55.95 55.36 3h5x s SER 135 Cb 0.00 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 3h5x s SER 135 CO 0.00 -0.63 1.06 -0.36 0.98 0.00 0.00 173.24 174.29 3h5x s PHE 136 N -3.91 3.03 0.32 5.02 0.08 -1.26 -1.85 117.98 119.41 3h5x s PHE 136 Ca 0.07 1.48 0.03 0.00 0.12 0.00 0.00 56.93 58.63 3h5x s PHE 136 Cb 0.07 -2.95 -0.05 0.00 -0.57 0.00 0.00 43.02 39.52 3h5x s PHE 136 CO -0.10 -1.17 0.10 0.95 -0.10 0.00 0.00 175.22 174.90 3h5x s THR 137 N -2.70 0.78 0.00 0.64 -4.23 0.20 -4.33 115.64 106.00 3h5x s THR 137 Ca 0.61 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 3h5x s THR 137 Cb -0.15 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.07 3h5x s THR 137 CO 0.45 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 3h5x n GLY 138 N -0.67 2.66 0.22 3.99 0.00 -1.26 -1.93 105.19 108.20 3h5x n GLY 138 Ca -0.02 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.86 3h5x n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h5x h LYS 139 N 0.00 0.08 0.00 1.61 1.57 -1.97 -2.38 116.57 115.47 3h5x h LYS 139 Ca 0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3h5x h LYS 139 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3h5x h LYS 139 CO 0.00 0.32 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.60 3h5x h LEU 140 N 0.08 0.00 -0.72 2.94 3.38 -1.72 -2.60 115.31 116.67 3h5x h LEU 140 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3h5x h LEU 140 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3h5x h LEU 140 CO 0.03 0.53 0.25 0.00 0.09 0.00 0.00 178.44 179.34 3h5x h ALA 141 N 1.47 0.94 -0.27 1.53 0.00 -0.88 -0.38 119.26 121.67 3h5x h ALA 141 Ca -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3h5x h ALA 141 Cb 0.98 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3h5x h ALA 141 CO 0.07 0.60 0.05 0.22 0.00 0.00 0.00 179.25 180.19 3h5x h ASP 142 N 1.05 0.42 -0.33 0.00 3.58 -1.44 -0.81 116.42 118.88 3h5x h ASP 142 Ca 0.23 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 3h5x h ASP 142 Cb 0.27 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 3h5x h ASP 142 CO -0.01 0.57 0.16 -0.61 -2.88 0.00 0.00 179.24 176.46 3h5x h GLN 143 N 0.26 0.48 -0.61 0.28 4.15 -1.36 -2.07 115.11 116.23 3h5x h GLN 143 Ca 0.08 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 3h5x h GLN 143 Cb 0.32 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3h5x h GLN 143 CO 0.00 0.44 0.00 0.00 -1.93 0.00 0.00 178.83 177.35 3h5x h ALA 144 N 1.01 0.83 -0.20 3.38 0.00 -1.00 -1.82 119.26 121.46 3h5x h ALA 144 Ca 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3h5x h ALA 144 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3h5x h ALA 144 CO -0.01 0.67 0.08 0.77 0.00 0.00 0.00 179.25 180.75 3h5x h SER 145 N 0.99 0.28 -0.45 0.00 0.02 -1.07 -0.96 113.55 112.36 3h5x h SER 145 Ca 0.17 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3h5x h SER 145 Cb 0.56 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 3h5x h SER 145 CO 0.03 0.38 0.26 0.50 -1.14 0.00 0.00 176.83 176.86 3h5x h LYS 146 N 0.16 0.51 -0.72 3.45 3.64 -1.33 -1.91 116.57 120.37 3h5x h LYS 146 Ca 0.07 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3h5x h LYS 146 Cb 0.19 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 3h5x h LYS 146 CO -0.00 0.34 0.41 0.00 -2.27 0.00 0.00 179.45 177.93 3h5x h ALA 147 N 1.21 0.97 -0.64 5.00 0.00 -1.07 -1.35 119.26 123.39 3h5x h ALA 147 Ca 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3h5x h ALA 147 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3h5x h ALA 147 CO -0.09 0.10 0.27 -0.97 0.00 0.00 0.00 179.25 178.56 3h5x h ASN 148 N 0.76 0.87 -0.43 0.00 -1.24 -0.79 -1.65 115.58 113.09 3h5x h ASN 148 Ca 0.32 -0.16 -0.08 0.00 0.71 0.00 0.00 56.30 57.09 3h5x h ASN 148 Cb 0.19 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 3h5x h ASN 148 CO -0.18 0.79 -0.06 -0.07 -1.29 0.00 0.00 177.43 176.62 3h5x h LEU 149 N 0.90 0.80 -1.00 0.34 3.38 -0.76 -1.42 115.31 117.55 3h5x h LEU 149 Ca 0.22 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3h5x h LEU 149 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3h5x h LEU 149 CO -0.02 0.95 0.30 0.24 0.09 0.00 0.00 178.44 180.00 3h5x h MET 150 N 0.64 1.01 0.37 1.13 2.86 -1.14 -0.26 114.93 119.54 3h5x h MET 150 Ca 0.12 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3h5x h MET 150 Cb 0.57 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3h5x h MET 150 CO 0.03 0.81 -0.20 0.35 1.06 0.00 0.00 176.91 178.97 3h5x h PHE 151 N 1.00 -0.51 0.00 -0.22 3.57 -1.08 -0.19 116.94 119.51 3h5x h PHE 151 Ca 0.24 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 3h5x h PHE 151 Cb 0.16 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 3h5x h PHE 151 CO 0.01 -0.31 -0.17 0.93 -2.23 0.00 0.00 178.31 176.55 3h5x h GLU 152 N -0.53 0.00 -0.04 1.11 5.08 -0.99 -2.35 114.58 116.87 3h5x h GLU 152 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3h5x h GLU 152 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3h5x h GLU 152 CO 0.06 0.17 0.00 0.39 -1.00 0.00 0.00 179.01 178.63 3h5x n GLU 153 N -4.11 2.13 -2.84 2.33 1.02 -0.13 -4.96 120.64 114.08 3h5x n GLU 153 Ca -0.02 -1.64 -0.14 0.00 -0.02 0.00 0.00 57.16 55.34 3h5x n GLU 153 Cb 0.24 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.22 3h5x n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h5x n GLY 154 N 1.30 -0.04 3.69 0.62 0.00 -0.71 -5.02 105.19 105.03 3h5x n GLY 154 Ca 0.16 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3h5x n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5x s LYS 155 N -5.38 2.83 0.50 1.61 1.02 -0.16 -4.97 119.74 115.19 3h5x s LYS 155 Ca 0.23 -0.57 -0.21 0.00 0.02 0.00 0.00 55.97 55.44 3h5x s LYS 155 Cb -0.10 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.44 3h5x s LYS 155 CO 0.28 0.64 1.10 -0.80 -0.92 0.00 0.00 175.35 175.65 3h5x s ASN 156 N -1.46 6.09 0.02 2.83 -0.87 -1.26 -4.57 114.94 115.71 3h5x s ASN 156 Ca 0.19 2.10 -0.01 0.00 -1.57 0.00 0.00 52.86 53.57 3h5x s ASN 156 Cb -0.11 -2.58 -0.02 0.00 -0.02 0.00 0.00 41.25 38.52 3h5x s ASN 156 CO 0.09 -0.96 -0.01 -0.04 -2.57 0.00 0.00 177.10 173.61 3h5x s MET 157 N -3.12 0.32 -0.31 -0.60 -1.94 -1.26 -5.09 119.30 107.30 3h5x s MET 157 Ca 0.68 -0.57 -0.22 0.00 -1.71 0.00 0.00 55.69 53.87 3h5x s MET 157 Cb -0.22 0.12 -0.00 0.00 2.01 0.00 0.00 34.83 36.74 3h5x s MET 157 CO 0.26 -0.06 0.73 0.99 -0.01 0.00 0.00 175.02 176.93 3h5x s THR 158 N -1.41 4.84 0.50 2.05 2.01 -1.26 -4.84 115.64 117.53 3h5x s THR 158 Ca -0.15 1.03 -0.21 0.00 0.31 0.00 0.00 61.69 62.66 3h5x s THR 158 Cb -0.09 -4.10 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 3h5x s THR 158 CO -0.01 -0.23 1.16 -2.84 -0.69 0.00 0.00 174.62 172.01 3h5x s PRO 159 N 2.84 3.56 -0.15 4.92 0.02 -1.26 -5.01 135.00 139.93 3h5x s PRO 159 Ca 0.30 1.74 -0.01 0.00 0.02 0.00 0.00 61.00 63.05 3h5x s PRO 159 Cb -0.14 -2.24 0.04 0.00 0.02 0.00 0.00 34.50 32.17 3h5x s PRO 159 CO 0.13 -0.71 -0.05 0.08 -0.33 0.00 0.00 177.00 176.12 3h5x s VAL 160 N -1.61 0.98 0.30 3.83 1.01 -1.26 -4.22 120.40 119.43 3h5x s VAL 160 Ca 0.68 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 3h5x s VAL 160 Cb -0.27 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3h5x s VAL 160 CO 0.32 0.17 0.57 -0.31 0.00 0.00 0.00 175.10 175.85 3h5x s TYR 161 N 1.70 3.47 -0.27 5.22 2.02 -0.06 -3.51 117.35 125.93 3h5x s TYR 161 Ca 0.02 0.69 -0.01 0.00 -0.37 0.00 0.00 57.07 57.40 3h5x s TYR 161 Cb -0.15 -2.14 0.04 0.00 -0.40 0.00 0.00 41.96 39.31 3h5x s TYR 161 CO -0.08 0.15 -0.05 0.99 -1.57 0.00 0.00 175.55 174.99 3h5x s THR 162 N -2.10 2.77 0.28 -0.71 2.01 0.38 -0.71 115.64 117.56 3h5x s THR 162 Ca 0.45 -1.24 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 3h5x s THR 162 Cb -0.11 -2.50 -0.10 0.00 0.01 0.00 0.00 72.50 69.80 3h5x s THR 162 CO 0.30 0.07 1.40 -0.83 -0.69 0.00 0.00 174.62 174.86 3h5x s GLY 163 N 1.26 2.58 0.17 4.40 0.00 -0.49 -1.23 107.32 114.01 3h5x s GLY 163 Ca -0.03 1.32 -0.08 0.00 0.00 0.00 0.00 44.72 45.93 3h5x s GLY 163 CO -0.04 2.16 0.26 0.00 0.00 0.00 0.00 173.10 175.49 3h5x s ALA 164 N -0.43 0.17 -0.13 3.20 0.00 -0.82 -4.92 121.76 118.82 3h5x s ALA 164 Ca 0.56 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.53 3h5x s ALA 164 Cb -0.41 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.63 3h5x s ALA 164 CO 0.48 -0.64 -0.22 -0.51 0.00 0.00 0.00 175.76 174.86 3h5x s LEU 165 N -2.99 2.11 0.05 0.00 1.43 -1.26 -0.92 118.68 117.10 3h5x s LEU 165 Ca 0.20 -0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 52.40 3h5x s LEU 165 Cb 0.04 -1.44 -0.07 0.00 0.03 0.00 0.00 46.19 44.75 3h5x s LEU 165 CO 0.02 0.10 1.40 -0.75 0.23 0.00 0.00 176.35 177.34 3h5x s LYS 166 N 0.72 4.30 -0.59 1.70 2.20 0.01 -4.92 119.74 123.17 3h5x s LYS 166 Ca -0.09 2.02 -0.28 0.00 -0.36 0.00 0.00 55.97 57.26 3h5x s LYS 166 Cb -0.16 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.74 3h5x s LYS 166 CO 0.00 -0.51 1.32 0.34 -0.36 0.00 0.00 175.35 176.13 3h5x s ASP 167 N 1.57 6.25 0.18 1.43 2.15 -1.26 -4.56 116.67 122.43 3h5x s ASP 167 Ca 0.64 0.14 -0.16 0.00 0.43 0.00 0.00 52.55 53.60 3h5x s ASP 167 Cb -0.34 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 39.75 3h5x s ASP 167 CO 0.28 -1.64 0.47 -1.83 -0.17 0.00 0.00 175.17 172.28 3h5x s GLU 168 N 5.33 1.30 0.08 4.34 -1.05 -1.26 -4.97 118.70 122.47 3h5x s GLU 168 Ca 0.47 -0.89 -0.30 0.00 -0.15 0.00 0.00 54.97 54.09 3h5x s GLU 168 Cb -0.09 0.49 -0.05 0.00 -0.44 0.00 0.00 34.13 34.04 3h5x s GLU 168 CO 0.24 -0.54 0.99 -0.51 0.95 0.00 0.00 175.26 176.39 3h5x s LEU 169 N -2.88 4.46 0.14 1.83 1.43 -1.26 -1.37 118.68 121.02 3h5x s LEU 169 Ca 0.10 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.99 3h5x s LEU 169 Cb 0.00 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 3h5x s LEU 169 CO -0.04 -0.15 -0.01 0.68 0.23 0.00 0.00 176.35 177.07 3h5x s VAL 170 N 0.32 0.55 0.36 -1.59 -7.23 0.24 -4.85 120.40 108.19 3h5x s VAL 170 Ca 0.49 -1.94 -0.27 0.00 -1.81 0.00 0.00 61.98 58.45 3h5x s VAL 170 Cb -0.23 -1.95 -0.12 0.00 0.56 0.00 0.00 36.38 34.63 3h5x s VAL 170 CO 0.30 -0.61 1.20 0.29 -0.31 0.00 0.00 175.10 175.97 3h5x n LYS 171 N -0.14 1.86 0.25 4.82 5.02 -1.26 -1.71 118.16 126.99 3h5x n LYS 171 Ca -0.08 0.65 0.11 0.00 -2.02 0.00 0.00 58.31 56.97 3h5x n LYS 171 Cb 0.63 -2.22 0.65 0.00 -0.02 0.00 0.00 35.03 34.07 3h5x n LYS 171 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3h5x h THR 172 N 2.23 0.66 0.00 -0.18 1.35 -1.86 -2.06 112.91 113.05 3h5x h THR 172 Ca -0.45 -0.67 -0.03 0.00 -0.55 0.00 0.00 66.41 64.71 3h5x h THR 172 Cb 1.30 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3h5x h THR 172 CO 0.61 0.15 -0.12 -2.24 -0.25 0.00 0.00 175.52 173.67 3h5x h ASP 173 N 0.00 0.00 0.25 5.36 3.04 -1.94 0.24 116.42 123.37 3h5x h ASP 173 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3h5x h ASP 173 Cb 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.70 3h5x h ASP 173 CO 0.02 0.12 0.00 0.29 -2.04 0.00 0.00 179.24 177.63 3h5x n LYS 174 N -3.74 0.39 -0.04 4.15 5.02 -0.77 -0.43 118.16 122.73 3h5x n LYS 174 Ca -0.02 0.07 -0.08 0.00 -2.02 0.00 0.00 58.31 56.26 3h5x n LYS 174 Cb 0.23 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.71 3h5x n LYS 174 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3h5x n ILE 175 N -1.20 0.50 0.90 -0.18 5.41 -0.10 -2.52 119.36 122.17 3h5x n ILE 175 Ca 0.11 -0.16 0.09 0.00 1.00 0.00 0.00 62.75 63.79 3h5x n ILE 175 Cb 0.13 -1.16 -0.07 0.00 -0.71 0.00 0.00 39.64 37.83 3h5x n ILE 175 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3h5x n TYR 176 N -3.04 0.00 0.00 1.39 4.01 -0.23 -4.82 117.16 114.48 3h5x n TYR 176 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3h5x n TYR 176 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 3h5x n TYR 176 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h5x n GLY 177 N 1.41 1.54 3.60 2.72 0.00 0.42 -5.01 105.19 109.86 3h5x n GLY 177 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3h5x n GLY 177 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h5x s LYS 178 N 3.34 3.60 0.27 1.61 2.47 -1.16 -4.94 119.74 124.93 3h5x s LYS 178 Ca 0.00 0.95 -0.29 0.00 -1.56 0.00 0.00 55.97 55.06 3h5x s LYS 178 Cb 0.00 -4.01 -0.09 0.00 -1.46 0.00 0.00 37.83 32.26 3h5x s LYS 178 CO 0.00 -1.54 1.22 0.42 0.16 0.00 0.00 175.35 175.61 3h5x s ILE 179 N 5.35 3.20 -0.15 5.43 1.01 -1.26 -4.24 121.20 130.54 3h5x s ILE 179 Ca 0.61 1.13 -0.11 0.00 0.00 0.00 0.00 60.65 62.28 3h5x s ILE 179 Cb -0.14 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.66 3h5x s ILE 179 CO 0.32 0.24 0.37 -0.54 0.00 0.00 0.00 174.94 175.34 3h5x s LYS 180 N -1.14 0.41 -0.04 2.79 1.02 -1.05 -5.03 119.74 116.69 3h5x s LYS 180 Ca 0.49 0.60 -0.06 0.00 0.02 0.00 0.00 55.97 57.02 3h5x s LYS 180 Cb -0.35 0.12 0.01 0.00 -0.52 0.00 0.00 37.83 37.08 3h5x s LYS 180 CO 0.44 -0.09 0.15 0.21 -0.92 0.00 0.00 175.35 175.13 3h5x s LYS 181 N 0.64 0.27 -0.06 1.68 2.20 -1.26 -4.76 119.74 118.45 3h5x s LYS 181 Ca -0.04 0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 3h5x s LYS 181 Cb -0.05 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.36 3h5x s LYS 181 CO -0.04 -0.05 1.29 0.50 -0.36 0.00 0.00 175.35 176.69 3h5x s ARG 182 N -0.36 4.30 -0.02 4.03 3.52 -1.26 -4.83 118.95 124.33 3h5x s ARG 182 Ca -0.04 1.78 -0.30 0.00 -0.13 0.00 0.00 55.73 57.04 3h5x s ARG 182 Cb -0.03 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 3h5x s ARG 182 CO 0.01 -0.55 1.09 -1.17 -0.81 0.00 0.00 175.30 173.86 3h5x s LEU 183 N 2.60 4.32 -0.02 -0.88 2.96 -1.26 -0.81 118.68 125.59 3h5x s LEU 183 Ca 0.59 1.76 0.06 0.00 -0.22 0.00 0.00 54.13 56.31 3h5x s LEU 183 Cb -0.27 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 3h5x s LEU 183 CO 0.22 -0.43 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.88 3h5x s LEU 184 N 1.52 2.50 -0.80 -0.68 1.43 -0.10 -4.88 118.68 117.66 3h5x s LEU 184 Ca 0.54 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 53.23 3h5x s LEU 184 Cb -0.23 -1.48 0.21 0.00 0.03 0.00 0.00 46.19 44.72 3h5x s LEU 184 CO 0.25 0.32 0.70 0.26 0.23 0.00 0.00 176.35 178.11 3h5x s TRP 185 N -0.73 3.72 -0.03 0.29 0.52 0.81 -1.95 118.94 121.57 3h5x s TRP 185 Ca 0.12 -2.40 -0.30 0.00 0.02 0.00 0.00 56.10 53.53 3h5x s TRP 185 Cb -0.10 -3.57 -0.06 0.00 -1.15 0.00 0.00 33.47 28.58 3h5x s TRP 185 CO 0.01 -0.91 1.72 0.20 0.02 0.00 0.00 176.95 177.99 3h5x s GLY 186 N 1.36 1.52 0.66 0.98 0.00 -0.37 -3.75 107.32 107.72 3h5x s GLY 186 Ca 0.20 1.04 -0.14 0.00 0.00 0.00 0.00 44.72 45.82 3h5x s GLY 186 CO -0.07 3.13 1.07 -0.56 0.00 0.00 0.00 173.10 176.66 3h5x s SER 187 N 3.53 5.36 0.18 1.64 0.01 -1.25 -0.47 113.70 122.70 3h5x s SER 187 Ca 0.77 1.81 -0.11 0.00 1.31 0.00 0.00 55.95 59.72 3h5x s SER 187 Cb -0.36 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.28 3h5x s SER 187 CO 0.32 -1.46 0.53 1.51 0.41 0.00 0.00 173.24 174.55 3h5x s ASP 188 N -3.08 6.69 0.31 2.44 -4.77 -1.23 -3.89 116.67 113.14 3h5x s ASP 188 Ca 0.63 0.95 0.07 0.00 -3.30 0.00 0.00 52.55 50.89 3h5x s ASP 188 Cb -0.17 -2.24 0.78 0.00 -1.09 0.00 0.00 42.92 40.21 3h5x s ASP 188 CO 0.45 0.02 1.76 0.25 0.70 0.00 0.00 175.17 178.34 3h5x h LEU 189 N 3.01 0.74 -0.51 2.11 5.85 -1.23 -1.58 115.31 123.69 3h5x h LEU 189 Ca -0.48 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 3h5x h LEU 189 Cb 1.18 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3h5x h LEU 189 CO 0.68 0.21 0.28 0.00 -0.34 0.00 0.00 178.44 179.28 3h5x h ALA 190 N 1.67 0.66 -0.62 1.25 0.00 -1.87 -1.11 119.26 119.24 3h5x h ALA 190 Ca 0.60 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.34 3h5x h ALA 190 Cb 1.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3h5x h ALA 190 CO -0.42 0.18 0.09 1.15 0.00 0.00 0.00 179.25 180.25 3h5x h THR 191 N 0.68 1.26 -0.51 0.00 2.02 -1.70 -1.51 112.91 113.15 3h5x h THR 191 Ca 0.18 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 66.35 3h5x h THR 191 Cb 0.05 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 3h5x h THR 191 CO -0.03 0.38 0.33 0.24 0.37 0.00 0.00 175.52 176.81 3h5x h MET 192 N 0.96 0.65 -0.38 6.66 2.07 -0.90 -0.78 114.93 123.21 3h5x h MET 192 Ca 0.19 -0.04 -0.07 0.00 -2.07 0.00 0.00 59.70 57.71 3h5x h MET 192 Cb 0.43 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 3h5x h MET 192 CO 0.01 0.43 -0.05 0.82 1.07 0.00 0.00 176.91 179.20 3h5x h ILE 193 N 0.67 1.27 -0.65 -1.22 2.04 -0.88 -1.16 117.51 117.58 3h5x h ILE 193 Ca 0.19 -1.09 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 3h5x h ILE 193 Cb -0.06 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3h5x h ILE 193 CO -0.05 0.36 0.08 0.03 0.00 0.00 0.00 178.15 178.58 3h5x h ARG 194 N 0.51 1.09 -0.46 2.37 3.08 -1.14 -1.73 114.38 118.10 3h5x h ARG 194 Ca 0.10 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.74 3h5x h ARG 194 Cb 0.54 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3h5x h ARG 194 CO 0.03 1.01 -0.17 0.00 -1.07 0.00 0.00 179.97 179.76 3h5x h ALA 196 N 1.01 0.57 -0.32 0.00 0.00 -1.04 0.19 119.26 119.67 3h5x h ALA 196 Ca 0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3h5x h ALA 196 Cb 0.71 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3h5x h ALA 196 CO 0.05 0.23 -0.31 0.00 0.00 0.00 0.00 179.25 179.22 3h5x h ARG 197 N 0.57 0.69 -0.14 0.00 3.08 -1.21 -0.83 114.38 116.54 3h5x h ARG 197 Ca 0.14 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 3h5x h ARG 197 Cb 0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 3h5x h ARG 197 CO -0.00 0.91 -0.10 0.00 -1.07 0.00 0.00 179.97 179.71 3h5x h ALA 198 N 1.06 0.20 0.00 0.04 0.00 -0.75 -3.41 119.26 116.41 3h5x h ALA 198 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3h5x h ALA 198 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3h5x h ALA 198 CO 0.07 0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.54 3h5x n PHE 199 N -4.62 0.00 -0.10 0.00 3.72 0.64 -4.36 117.46 112.74 3h5x n PHE 199 Ca -0.06 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.26 3h5x n PHE 199 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 3h5x n PHE 199 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3h5x h GLY 200 N 0.00 0.46 1.10 1.37 0.00 -1.19 -0.00 103.07 104.79 3h5x h GLY 200 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3h5x h GLY 200 CO 0.00 0.11 0.40 -1.33 0.00 0.00 0.00 176.54 175.72 3h5x h GLY 201 N 0.37 1.25 0.90 4.60 0.00 -1.78 -1.62 103.07 106.78 3h5x h GLY 201 Ca 0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3h5x h GLY 201 CO -0.08 0.58 0.09 -2.00 0.00 0.00 0.00 176.54 175.12 3h5x h LEU 202 N 1.16 0.41 -1.26 3.11 5.85 -1.68 -1.87 115.31 121.02 3h5x h LEU 202 Ca 0.28 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3h5x h LEU 202 Cb 0.10 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3h5x h LEU 202 CO -0.04 0.50 0.51 0.24 -0.34 0.00 0.00 178.44 179.32 3h5x h MET 203 N 0.29 0.94 -0.44 1.25 2.86 -0.76 -0.01 114.93 119.06 3h5x h MET 203 Ca 0.09 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3h5x h MET 203 Cb 0.24 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3h5x h MET 203 CO -0.00 0.62 0.21 -0.44 1.06 0.00 0.00 176.91 178.36 3h5x h ASP 204 N 0.96 0.58 -0.44 1.22 3.32 -0.98 -1.74 116.42 119.34 3h5x h ASP 204 Ca 0.31 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 3h5x h ASP 204 Cb 0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3h5x h ASP 204 CO -0.09 0.55 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.74 3h5x h GLU 205 N 0.57 0.92 -0.58 3.56 4.57 -0.74 -1.87 114.58 121.02 3h5x h GLU 205 Ca 0.15 -0.35 -0.02 0.00 -1.18 0.00 0.00 59.36 57.96 3h5x h GLU 205 Cb 0.12 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3h5x h GLU 205 CO -0.02 1.01 0.30 -0.07 -1.18 0.00 0.00 179.01 179.05 3h5x h LEU 206 N 0.82 0.74 -1.06 1.64 3.38 -0.88 -2.62 115.31 117.33 3h5x h LEU 206 Ca 0.12 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3h5x h LEU 206 Cb 0.70 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3h5x h LEU 206 CO 0.05 0.65 0.63 0.50 0.09 0.00 0.00 178.44 180.36 3h5x h LYS 207 N 0.78 1.21 0.00 1.13 3.64 -0.98 -1.27 116.57 121.08 3h5x h LYS 207 Ca 0.20 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3h5x h LYS 207 Cb 0.09 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3h5x h LYS 207 CO -0.03 0.80 -0.01 1.15 -2.27 0.00 0.00 179.45 179.09 3h5x h THR 208 N 1.24 0.75 -0.37 1.00 2.02 -0.96 -2.65 112.91 113.94 3h5x h THR 208 Ca 0.37 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.45 3h5x h THR 208 Cb -0.06 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 3h5x h THR 208 CO -0.10 0.01 0.03 1.41 0.37 0.00 0.00 175.52 177.24 3h5x n HIS 209 N -4.16 1.28 0.37 3.16 8.25 -0.50 -4.67 115.22 118.94 3h5x n HIS 209 Ca -0.03 -1.07 0.12 0.00 -0.26 0.00 0.00 57.72 56.48 3h5x n HIS 209 Cb 0.09 -0.42 0.52 0.00 1.12 0.00 0.00 29.99 31.30 3h5x n HIS 209 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h5x h VAL 211 N 0.00 0.56 0.00 0.00 2.07 -1.85 -3.34 116.25 113.69 3h5x h VAL 211 Ca 0.00 -1.82 -0.16 0.00 0.82 0.00 0.00 66.70 65.55 3h5x h VAL 211 Cb 0.34 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 3h5x h VAL 211 CO 0.00 0.32 -2.13 0.41 0.02 0.00 0.00 177.57 176.19 3h5x n THR 212 N -3.12 0.58 -3.97 2.57 -1.04 -0.77 -4.91 114.28 103.63 3h5x n THR 212 Ca 0.01 -0.63 -0.27 0.00 -2.04 0.00 0.00 64.05 61.12 3h5x n THR 212 Cb 0.68 -0.20 -0.04 0.00 -1.82 0.00 0.00 70.33 68.96 3h5x n THR 212 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3h5x s LEU 213 N -4.89 4.24 0.63 -4.42 1.43 -0.51 -5.00 118.68 110.16 3h5x s LEU 213 Ca -0.09 0.13 0.39 0.00 -1.03 0.00 0.00 54.13 53.54 3h5x s LEU 213 Cb 0.10 -2.82 2.10 0.00 0.03 0.00 0.00 46.19 45.60 3h5x s LEU 213 CO 0.84 0.07 2.27 -0.65 0.23 0.00 0.00 176.35 179.12 3h5x h PRO 214 N 2.32 0.00 -6.34 1.29 0.11 -1.88 -3.39 132.00 124.10 3h5x h PRO 214 Ca -0.48 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.06 3h5x h PRO 214 Cb 1.19 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 3h5x h PRO 214 CO 0.68 0.01 0.82 0.42 -0.21 0.00 0.00 178.00 179.73 3h5x s ILE 215 N -4.15 4.17 -2.02 4.15 1.01 -1.26 -0.57 121.20 122.53 3h5x s ILE 215 Ca -0.04 0.73 0.17 0.00 0.00 0.00 0.00 60.65 61.51 3h5x s ILE 215 Cb 0.13 -4.64 0.47 0.00 0.01 0.00 0.00 42.46 38.43 3h5x s ILE 215 CO 0.47 -1.21 1.40 0.54 0.00 0.00 0.00 174.94 176.13 3h5x n ARG 216 N 8.02 2.24 -1.68 2.79 5.12 -0.38 -4.56 116.66 128.20 3h5x n ARG 216 Ca 0.07 -1.93 -0.44 0.00 -1.93 0.00 0.00 57.85 53.62 3h5x n ARG 216 Cb 0.49 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 30.33 3h5x n ARG 216 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3h5x n VAL 217 N 1.07 0.43 0.00 1.55 0.31 -1.26 -1.45 118.33 118.98 3h5x n VAL 217 Ca 0.18 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3h5x n VAL 217 Cb 0.46 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 3h5x n VAL 217 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h5x n GLY 218 N 4.21 0.72 3.76 2.92 0.00 -1.26 -4.50 105.19 111.04 3h5x n GLY 218 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3h5x n GLY 218 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3h5x s MET 219 N -0.52 4.50 -0.38 1.61 0.00 -0.53 -5.00 119.30 118.98 3h5x s MET 219 Ca 0.00 1.75 -0.13 0.00 0.00 0.00 0.00 55.69 57.31 3h5x s MET 219 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 34.83 31.83 3h5x s MET 219 CO 0.00 0.10 0.24 1.21 0.00 0.00 0.00 175.02 176.57 3h5x s ASN 220 N -1.04 5.90 0.29 -1.18 3.84 -1.26 -4.98 114.94 116.52 3h5x s ASN 220 Ca 0.48 -0.83 -0.03 0.00 0.21 0.00 0.00 52.86 52.70 3h5x s ASN 220 Cb -0.30 -2.09 0.41 0.00 -0.55 0.00 0.00 41.25 38.72 3h5x s ASN 220 CO 0.38 -0.37 1.94 -0.03 -2.79 0.00 0.00 177.10 176.23 3h5x h MET 221 N 8.51 1.08 -0.30 0.43 1.85 -1.95 0.51 114.93 125.06 3h5x h MET 221 Ca -0.28 -0.09 -0.16 0.00 -0.61 0.00 0.00 59.70 58.56 3h5x h MET 221 Cb 1.12 -0.23 -0.00 0.00 0.43 0.00 0.00 31.60 32.92 3h5x h MET 221 CO 0.68 0.75 -0.44 -0.97 -0.40 0.00 0.00 176.91 176.53 3h5x h ASN 222 N 1.11 0.92 0.22 1.39 -1.24 -1.94 -2.13 115.58 113.89 3h5x h ASN 222 Ca 0.29 -0.51 -0.34 0.00 0.71 0.00 0.00 56.30 56.45 3h5x h ASN 222 Cb -0.07 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 38.68 3h5x h ASN 222 CO -0.06 1.24 -2.04 -0.62 -1.29 0.00 0.00 177.43 174.67 3h5x n GLU 223 N -4.10 0.68 -0.06 6.67 1.02 -1.04 -4.49 120.64 119.33 3h5x n GLU 223 Ca -0.04 0.20 -0.07 0.00 -0.02 0.00 0.00 57.16 57.23 3h5x n GLU 223 Cb 0.57 -1.67 -0.15 0.00 -0.02 0.00 0.00 31.44 30.17 3h5x n GLU 223 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3h5x n ASP 224 N -3.14 0.31 -0.21 1.62 8.00 0.18 -4.45 116.55 118.85 3h5x n ASP 224 Ca -0.29 0.14 0.02 0.00 0.71 0.00 0.00 54.79 55.38 3h5x n ASP 224 Cb 1.06 0.72 0.12 0.00 -0.02 0.00 0.00 41.12 43.01 3h5x n ASP 224 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3h5x h GLY 225 N 3.85 0.76 1.07 0.44 0.00 -1.32 -1.27 103.07 106.60 3h5x h GLY 225 Ca -0.40 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3h5x h GLY 225 CO 0.04 -0.19 0.51 -2.55 0.00 0.00 0.00 176.54 174.36 3h5x h PRO 226 N 0.17 1.22 -0.13 4.80 0.11 -1.77 0.65 132.00 137.05 3h5x h PRO 226 Ca 0.34 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 3h5x h PRO 226 Cb 0.56 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3h5x h PRO 226 CO -0.50 0.87 -0.12 0.82 -0.21 0.00 0.00 178.00 178.86 3h5x h ILE 227 N 1.24 1.35 -0.28 4.15 2.04 -1.66 -2.57 117.51 121.77 3h5x h ILE 227 Ca 0.32 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 3h5x h ILE 227 Cb -0.01 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3h5x h ILE 227 CO -0.06 0.37 -0.01 0.40 0.00 0.00 0.00 178.15 178.86 3h5x h ILE 228 N -0.05 1.26 -0.37 -0.67 2.04 -1.05 -2.12 117.51 116.55 3h5x h ILE 228 Ca 0.02 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 3h5x h ILE 228 Cb 0.64 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3h5x h ILE 228 CO 0.03 0.30 -0.15 -0.26 0.00 0.00 0.00 178.15 178.07 3h5x h PHE 229 N 0.28 0.74 -0.70 1.37 0.04 -0.97 -1.58 116.94 116.12 3h5x h PHE 229 Ca 0.08 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 3h5x h PHE 229 Cb 0.44 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 3h5x h PHE 229 CO 0.04 0.79 0.25 1.49 -0.60 0.00 0.00 178.31 180.28 3h5x h GLU 230 N 0.61 1.07 -0.54 1.51 4.22 -1.35 -1.03 114.58 119.07 3h5x h GLU 230 Ca 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 59.36 59.32 3h5x h GLU 230 Cb 0.60 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3h5x h GLU 230 CO 0.04 0.90 0.30 0.00 -2.18 0.00 0.00 179.01 178.07 3h5x h ARG 231 N 1.02 0.75 -0.90 1.92 3.08 -0.95 -2.13 114.38 117.17 3h5x h ARG 231 Ca 0.23 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.25 3h5x h ARG 231 Cb 0.25 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 3h5x h ARG 231 CO -0.01 0.57 0.57 0.45 -1.07 0.00 0.00 179.97 180.48 3h5x h HIS 232 N 0.72 1.07 0.00 3.04 3.86 -1.08 -3.05 115.15 119.70 3h5x h HIS 232 Ca 0.19 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3h5x h HIS 232 Cb 0.04 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.16 3h5x h HIS 232 CO -0.02 0.58 -0.03 0.66 0.86 0.00 0.00 177.93 179.98 3h5x h SER 233 N 1.08 0.00 0.77 2.45 4.64 -0.49 -2.04 113.55 119.95 3h5x h SER 233 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3h5x h SER 233 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3h5x h SER 233 CO -0.15 0.03 0.00 0.03 -0.87 0.00 0.00 176.83 175.87 3h5x h ARG 234 N 0.00 0.00 -6.90 4.77 3.08 -1.44 -3.44 114.38 110.45 3h5x h ARG 234 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3h5x h ARG 234 Cb 0.25 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.33 3h5x h ARG 234 CO 0.00 0.00 0.08 0.71 -1.07 0.00 0.00 179.97 179.70 3h5x s TYR 235 N -3.57 3.55 0.01 3.04 1.51 -0.77 -5.03 117.35 116.08 3h5x s TYR 235 Ca 0.02 0.76 -0.17 0.00 -1.01 0.00 0.00 57.07 56.67 3h5x s TYR 235 Cb 0.09 -2.28 -0.35 0.00 -0.11 0.00 0.00 41.96 39.32 3h5x s TYR 235 CO 0.46 -0.26 0.97 -0.09 -1.11 0.00 0.00 175.55 175.52 3h5x h ARG 236 N 0.26 0.49 -6.74 -0.62 2.43 -1.84 -3.47 114.38 104.89 3h5x h ARG 236 Ca -0.47 -0.84 -0.68 0.00 -0.81 0.00 0.00 59.98 57.18 3h5x h ARG 236 Cb 1.21 0.31 -0.24 0.00 -0.42 0.00 0.00 29.97 30.83 3h5x h ARG 236 CO 0.62 1.40 -0.87 0.71 -1.51 0.00 0.00 179.97 180.32 3h5x s TYR 237 N -2.56 2.25 0.00 2.20 2.02 -0.22 -4.39 117.35 116.65 3h5x s TYR 237 Ca -0.10 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 3h5x s TYR 237 Cb 0.03 -1.28 -0.00 0.00 -0.40 0.00 0.00 41.96 40.31 3h5x s TYR 237 CO 0.92 0.23 -0.00 -1.01 -1.57 0.00 0.00 175.55 174.12 3h5x s HIS 238 N -0.95 0.04 -0.03 2.71 3.76 0.45 -0.66 115.29 120.61 3h5x s HIS 238 Ca 0.12 -0.04 -0.00 0.00 -0.15 0.00 0.00 55.06 54.99 3h5x s HIS 238 Cb -0.10 -0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.59 3h5x s HIS 238 CO 0.04 -0.01 0.02 1.52 -0.85 0.00 0.00 174.74 175.46 3h5x s TYR 239 N -0.09 0.20 0.44 1.40 -0.85 0.38 -1.12 117.35 117.70 3h5x s TYR 239 Ca -0.01 0.09 0.04 0.00 -0.52 0.00 0.00 57.07 56.67 3h5x s TYR 239 Cb -0.01 -0.41 0.01 0.00 0.38 0.00 0.00 41.96 41.93 3h5x s TYR 239 CO -0.00 -0.15 0.62 0.16 -1.52 0.00 0.00 175.55 174.66 3h5x s ASP 240 N 1.41 5.70 -0.11 -0.18 -4.77 -1.26 -1.19 116.67 116.27 3h5x s ASP 240 Ca -0.05 -0.04 -0.30 0.00 -3.30 0.00 0.00 52.55 48.86 3h5x s ASP 240 Cb -0.13 -1.14 0.11 0.00 -1.09 0.00 0.00 42.92 40.67 3h5x s ASP 240 CO -0.03 -0.75 0.90 0.00 0.70 0.00 0.00 175.17 175.99 3h5x s ALA 241 N -2.46 -1.87 -0.22 2.11 0.00 -1.18 -4.92 121.76 113.21 3h5x s ALA 241 Ca 0.51 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.89 3h5x s ALA 241 Cb -0.10 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.73 3h5x s ALA 241 CO 0.35 -0.38 -0.04 0.16 0.00 0.00 0.00 175.76 175.85 3h5x s ASP 242 N -1.35 3.65 -0.01 0.00 3.84 -1.26 -4.00 116.67 117.54 3h5x s ASP 242 Ca -0.03 -1.09 -0.21 0.00 -0.00 0.00 0.00 52.55 51.22 3h5x s ASP 242 Cb -0.00 -1.08 -0.05 0.00 -1.38 0.00 0.00 42.92 40.41 3h5x s ASP 242 CO 0.02 -0.24 0.61 -0.31 -0.00 0.00 0.00 175.17 175.24 3h5x s TYR 243 N 1.48 3.67 0.09 2.11 1.51 -1.26 -0.89 117.35 124.06 3h5x s TYR 243 Ca -0.05 1.20 -0.29 0.00 -1.01 0.00 0.00 57.07 56.92 3h5x s TYR 243 Cb -0.18 -2.63 -0.05 0.00 -0.11 0.00 0.00 41.96 38.98 3h5x s TYR 243 CO -0.07 0.32 0.94 -1.12 -1.11 0.00 0.00 175.55 174.51 3h5x s SER 244 N -0.06 7.46 -1.43 2.29 0.01 -0.73 -4.29 113.70 116.95 3h5x s SER 244 Ca 0.32 1.74 -0.10 0.00 1.31 0.00 0.00 55.95 59.22 3h5x s SER 244 Cb -0.18 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.52 3h5x s SER 244 CO 0.17 -0.07 1.06 -1.14 0.41 0.00 0.00 173.24 173.67 3h5x n ARG 245 N 2.89 -6.63 -0.20 12.44 0.63 -1.26 -4.52 116.66 120.02 3h5x n ARG 245 Ca 0.02 0.71 -0.09 0.00 -0.92 0.00 0.00 57.85 57.57 3h5x n ARG 245 Cb 0.49 -5.66 -0.04 0.00 0.45 0.00 0.00 32.46 27.70 3h5x n ARG 245 CO 0.00 0.00 0.00 2.35 -2.51 0.00 0.00 177.63 177.47 3h5x h TRP 246 N -2.34 -1.34 -0.67 -0.14 2.91 -1.96 -2.64 115.95 109.77 3h5x h TRP 246 Ca -0.58 0.08 0.02 0.00 1.13 0.00 0.00 58.89 59.54 3h5x h TRP 246 Cb 1.37 0.66 -0.04 0.00 -0.51 0.00 0.00 29.16 30.65 3h5x h TRP 246 CO 0.53 -0.43 0.43 -0.44 -1.03 0.00 0.00 178.44 177.50 3h5x h ASP 247 N -0.25 0.72 0.37 2.65 3.32 -1.89 -1.54 116.42 119.82 3h5x h ASP 247 Ca 0.17 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3h5x h ASP 247 Cb 0.56 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3h5x h ASP 247 CO -0.68 0.51 0.00 0.77 -1.72 0.00 0.00 179.24 178.13 3h5x h SER 248 N 0.86 0.00 -0.02 6.45 4.64 -1.75 -1.89 113.55 121.84 3h5x h SER 248 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3h5x h SER 248 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3h5x h SER 248 CO -0.08 0.00 -0.02 0.35 -0.87 0.00 0.00 176.83 176.21 3h5x n THR 249 N -3.00 0.00 -2.47 2.95 -2.24 -0.59 -4.38 114.28 104.56 3h5x n THR 249 Ca -0.01 -0.42 -0.37 0.00 -2.27 0.00 0.00 64.05 60.97 3h5x n THR 249 Cb 0.15 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 3h5x n THR 249 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3h5x s GLN 250 N -2.02 4.12 -0.19 -0.78 -1.52 -1.02 -4.72 119.66 113.53 3h5x s GLN 250 Ca 0.30 1.61 -0.10 0.00 -1.95 0.00 0.00 55.36 55.22 3h5x s GLN 250 Cb 0.20 -2.58 -0.05 0.00 -0.22 0.00 0.00 33.01 30.36 3h5x s GLN 250 CO 0.32 -0.20 0.14 -0.65 -0.25 0.00 0.00 175.29 174.65 3h5x s GLN 251 N -2.43 4.16 0.56 2.91 -0.21 -1.26 -1.98 119.66 121.40 3h5x s GLN 251 Ca 0.58 -0.19 0.25 0.00 0.02 0.00 0.00 55.36 56.01 3h5x s GLN 251 Cb -0.25 -3.41 1.61 0.00 1.00 0.00 0.00 33.01 31.97 3h5x s GLN 251 CO 0.31 0.32 2.21 0.00 -2.12 0.00 0.00 175.29 176.00 3h5x h ARG 252 N 6.58 0.00 -0.68 2.91 2.47 -1.88 -1.06 114.38 122.72 3h5x h ARG 252 Ca -0.42 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.37 3h5x h ARG 252 Cb 1.16 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.42 3h5x h ARG 252 CO 0.75 0.02 0.37 0.00 0.56 0.00 0.00 179.97 181.67 3h5x h ALA 253 N 1.98 0.92 -0.08 0.04 0.00 -1.98 0.17 119.26 120.32 3h5x h ALA 253 Ca -0.00 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3h5x h ALA 253 Cb 0.03 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3h5x h ALA 253 CO 0.00 0.03 -0.73 0.28 0.00 0.00 0.00 179.25 178.84 3h5x h VAL 254 N 0.67 1.33 -0.05 0.00 2.07 -1.67 -3.13 116.25 115.48 3h5x h VAL 254 Ca 0.31 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.78 3h5x h VAL 254 Cb 0.22 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3h5x h VAL 254 CO -0.20 0.62 -0.14 -0.07 0.02 0.00 0.00 177.57 177.80 3h5x h LEU 255 N 0.27 0.07 -0.30 2.57 3.38 -1.03 -1.87 115.31 118.41 3h5x h LEU 255 Ca -0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3h5x h LEU 255 Cb 1.39 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3h5x h LEU 255 CO 0.15 0.22 0.07 0.00 0.09 0.00 0.00 178.44 178.97 3h5x h ALA 256 N 1.79 0.40 -0.83 1.53 0.00 -0.66 -1.59 119.26 119.89 3h5x h ALA 256 Ca 0.02 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3h5x h ALA 256 Cb 0.30 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3h5x h ALA 256 CO 0.02 0.06 0.54 0.00 0.00 0.00 0.00 179.25 179.87 3h5x h ALA 257 N 0.90 1.08 -0.53 0.00 0.00 -1.38 -0.99 119.26 118.34 3h5x h ALA 257 Ca 0.09 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h5x h ALA 257 Cb 0.29 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3h5x h ALA 257 CO 0.00 0.40 0.34 0.00 0.00 0.00 0.00 179.25 179.99 3h5x h ALA 258 N 1.33 0.68 -0.56 0.00 0.00 -1.12 -2.61 119.26 116.97 3h5x h ALA 258 Ca 0.32 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3h5x h ALA 258 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3h5x h ALA 258 CO -0.10 0.09 0.09 -0.07 0.00 0.00 0.00 179.25 179.26 3h5x h LEU 259 N 0.69 0.85 -0.88 0.00 3.38 -0.92 -2.48 115.31 115.95 3h5x h LEU 259 Ca 0.20 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3h5x h LEU 259 Cb -0.05 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 3h5x h LEU 259 CO -0.06 0.86 0.54 -0.33 0.09 0.00 0.00 178.44 179.54 3h5x h GLU 260 N 0.85 0.92 -0.44 1.13 5.08 -0.83 0.13 114.58 121.42 3h5x h GLU 260 Ca 0.18 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3h5x h GLU 260 Cb 0.38 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3h5x h GLU 260 CO 0.01 0.61 0.10 0.82 -1.00 0.00 0.00 179.01 179.54 3h5x h ILE 261 N 0.95 1.24 -0.27 3.13 2.04 -1.20 -1.34 117.51 122.06 3h5x h ILE 261 Ca 0.40 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3h5x h ILE 261 Cb 0.26 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3h5x h ILE 261 CO -0.20 0.29 0.16 0.24 0.00 0.00 0.00 178.15 178.65 3h5x h MET 262 N 0.59 0.36 -0.28 2.37 2.86 -0.88 -2.69 114.93 117.26 3h5x h MET 262 Ca 0.14 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3h5x h MET 262 Cb 0.34 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3h5x h MET 262 CO 0.00 0.28 0.08 0.28 1.06 0.00 0.00 176.91 178.61 3h5x h VAL 263 N 0.34 0.91 -0.99 -2.22 2.07 -0.67 -2.10 116.25 113.59 3h5x h VAL 263 Ca 0.10 -0.07 0.15 0.00 0.82 0.00 0.00 66.70 67.70 3h5x h VAL 263 Cb 0.00 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 3h5x h VAL 263 CO -0.02 0.04 0.62 0.50 0.02 0.00 0.00 177.57 178.73 3h5x h LYS 264 N 0.20 0.83 -0.34 1.57 3.64 -1.04 -2.43 116.57 119.00 3h5x h LYS 264 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3h5x h LYS 264 Cb 0.10 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3h5x h LYS 264 CO -0.14 0.55 0.00 1.19 -2.27 0.00 0.00 179.45 178.78 3h5x n PHE 265 N -4.66 0.44 -1.56 1.91 3.72 -1.03 -4.91 117.46 111.37 3h5x n PHE 265 Ca 0.20 -0.22 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 3h5x n PHE 265 Cb 0.46 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.07 3h5x n PHE 265 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3h5x s SER 266 N -1.51 4.94 0.31 4.37 1.04 -0.81 -4.68 113.70 117.35 3h5x s SER 266 Ca 0.37 1.47 0.06 0.00 0.48 0.00 0.00 55.95 58.34 3h5x s SER 266 Cb 0.22 -2.27 0.52 0.00 0.10 0.00 0.00 66.02 64.58 3h5x s SER 266 CO 0.31 -1.71 1.75 0.77 0.98 0.00 0.00 173.24 175.34 3h5x h SER 267 N -0.90 0.28 -2.45 7.02 4.64 -1.83 -3.34 113.55 116.97 3h5x h SER 267 Ca -0.45 -0.10 -0.60 0.00 -0.47 0.00 0.00 61.79 60.17 3h5x h SER 267 Cb 1.24 -0.08 -0.40 0.00 -0.31 0.00 0.00 62.40 62.85 3h5x h SER 267 CO 0.58 0.60 -0.78 -0.62 -0.87 0.00 0.00 176.83 175.74 3h5x n GLU 268 N -4.09 1.43 -0.32 4.77 4.71 -1.26 -4.98 120.64 120.88 3h5x n GLU 268 Ca -0.01 -3.98 0.13 0.00 -0.01 0.00 0.00 57.16 53.29 3h5x n GLU 268 Cb 0.42 -1.91 0.31 0.00 -1.01 0.00 0.00 31.44 29.25 3h5x n GLU 268 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3h5x h PRO 269 N 4.81 0.55 -0.99 3.49 0.11 -1.76 0.12 132.00 138.34 3h5x h PRO 269 Ca 0.17 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.27 3h5x h PRO 269 Cb 0.79 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.72 3h5x h PRO 269 CO 0.62 0.37 0.65 1.12 -0.21 0.00 0.00 178.00 180.55 3h5x h HIS 270 N 0.57 1.24 0.21 0.65 2.07 -1.94 -0.62 115.15 117.33 3h5x h HIS 270 Ca 0.56 0.03 -0.32 0.00 -2.85 0.00 0.00 60.37 57.79 3h5x h HIS 270 Cb 0.98 -0.42 0.02 0.00 2.57 0.00 0.00 27.41 30.56 3h5x h HIS 270 CO -0.07 0.77 -1.47 -0.07 -3.07 0.00 0.00 177.93 174.02 3h5x h LEU 271 N 1.32 0.70 -1.32 6.12 3.38 -1.20 -3.30 115.31 121.00 3h5x h LEU 271 Ca 0.37 -0.79 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 3h5x h LEU 271 Cb -0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3h5x h LEU 271 CO -0.09 1.62 -0.20 0.00 0.09 0.00 0.00 178.44 179.87 3h5x h ALA 272 N 0.27 1.44 -1.00 1.53 0.00 -0.89 -2.56 119.26 118.04 3h5x h ALA 272 Ca -0.24 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.56 3h5x h ALA 272 Cb 2.11 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.73 3h5x h ALA 272 CO 0.24 0.40 0.62 0.37 0.00 0.00 0.00 179.25 180.88 3h5x h GLN 273 N 0.20 0.89 -0.22 0.00 5.75 -1.19 -0.59 115.11 119.95 3h5x h GLN 273 Ca 0.04 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.33 3h5x h GLN 273 Cb 0.47 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.82 3h5x h GLN 273 CO 0.03 0.59 -0.46 0.28 -2.65 0.00 0.00 178.83 176.62 3h5x h VAL 274 N 0.92 1.31 -0.58 2.39 2.07 -1.59 -2.30 116.25 118.47 3h5x h VAL 274 Ca 0.51 -1.68 0.04 0.00 0.82 0.00 0.00 66.70 66.39 3h5x h VAL 274 Cb 0.60 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 3h5x h VAL 274 CO -0.29 0.53 0.33 0.58 0.02 0.00 0.00 177.57 178.75 3h5x h VAL 275 N 0.41 1.02 -0.75 2.57 2.07 -1.44 -2.72 116.25 117.41 3h5x h VAL 275 Ca 0.00 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3h5x h VAL 275 Cb 1.07 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3h5x h VAL 275 CO 0.10 0.12 0.43 0.00 0.02 0.00 0.00 177.57 178.24 3h5x h ALA 276 N 1.28 0.96 -0.66 1.67 0.00 -1.00 -1.58 119.26 119.93 3h5x h ALA 276 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h5x h ALA 276 Cb 0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3h5x h ALA 276 CO -0.13 0.45 0.39 1.05 0.00 0.00 0.00 179.25 181.01 3h5x h GLU 277 N 1.03 0.90 -0.16 0.00 4.11 -1.17 -1.92 114.58 117.36 3h5x h GLU 277 Ca 0.27 -0.08 -0.10 0.00 0.07 0.00 0.00 59.36 59.52 3h5x h GLU 277 Cb 0.00 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3h5x h GLU 277 CO -0.05 0.64 -0.32 -0.44 0.07 0.00 0.00 179.01 178.91 3h5x h ASP 278 N 0.91 0.33 0.57 3.06 3.32 -1.06 -1.93 116.42 121.62 3h5x h ASP 278 Ca 0.24 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 3h5x h ASP 278 Cb -0.02 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3h5x h ASP 278 CO -0.04 0.64 -0.74 -0.07 -1.72 0.00 0.00 179.24 177.30 3h5x h LEU 279 N 0.28 0.17 -0.12 1.55 3.38 -0.86 -3.27 115.31 116.44 3h5x h LEU 279 Ca 0.04 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 3h5x h LEU 279 Cb 0.71 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3h5x h LEU 279 CO 0.05 0.85 -0.84 0.25 0.09 0.00 0.00 178.44 178.84 3h5x h LEU 280 N 0.09 0.00-10.17 1.67 5.85 -1.15 -3.46 115.31 108.14 3h5x h LEU 280 Ca -0.02 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.16 3h5x h LEU 280 Cb 1.31 0.00 0.18 0.00 0.37 0.00 0.00 40.66 42.52 3h5x h LEU 280 CO 0.11 0.84 0.36 -1.20 -0.34 0.00 0.00 178.44 178.21 3h5x n SER 281 N -3.38 1.24 -4.52 1.25 7.64 -0.75 -4.83 113.62 110.27 3h5x n SER 281 Ca 0.00 0.64 -0.52 0.00 1.01 0.00 0.00 58.87 60.00 3h5x n SER 281 Cb 0.85 -1.52 -0.05 0.00 -1.01 0.00 0.00 64.21 62.48 3h5x n SER 281 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3h5x n PRO 282 N -2.91 0.57 -2.73 1.43 -0.02 -1.26 -4.83 135.00 125.26 3h5x n PRO 282 Ca 0.14 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.40 3h5x n PRO 282 Cb 0.50 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 3h5x n PRO 282 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3h5x s SER 283 N -0.14 6.90 -0.26 2.55 0.01 0.73 -4.77 113.70 118.72 3h5x s SER 283 Ca 0.78 1.03 -0.29 0.00 1.31 0.00 0.00 55.95 58.79 3h5x s SER 283 Cb -1.01 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 62.73 3h5x s SER 283 CO 0.54 -0.75 1.04 -0.69 0.41 0.00 0.00 173.24 173.80 3h5x s VAL 284 N 3.33 4.63 -0.05 3.43 1.01 -1.26 -0.55 120.40 130.94 3h5x s VAL 284 Ca 0.41 1.91 0.03 0.00 0.00 0.00 0.00 61.98 64.33 3h5x s VAL 284 Cb -0.13 -4.33 0.01 0.00 0.00 0.00 0.00 36.38 31.92 3h5x s VAL 284 CO 0.12 -0.27 -0.11 0.54 0.00 0.00 0.00 175.10 175.37 3h5x s VAL 285 N 3.33 1.03 -0.45 2.92 0.11 -0.24 -0.88 120.40 126.23 3h5x s VAL 285 Ca 0.44 -0.45 -0.23 0.00 -2.93 0.00 0.00 61.98 58.81 3h5x s VAL 285 Cb -0.14 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.80 3h5x s VAL 285 CO 0.09 0.32 0.76 -0.62 -3.33 0.00 0.00 175.10 172.32 3h5x s ASP 286 N 0.46 6.40 -0.24 3.54 -1.08 0.11 -0.96 116.67 124.90 3h5x s ASP 286 Ca -0.10 -0.14 0.13 0.00 -0.52 0.00 0.00 52.55 51.92 3h5x s ASP 286 Cb -0.13 -2.37 0.80 0.00 -1.46 0.00 0.00 42.92 39.75 3h5x s ASP 286 CO 0.02 -0.89 1.73 1.33 0.52 0.00 0.00 175.17 177.89 3h5x n VAL 287 N 6.08 2.73 0.00 1.11 0.24 0.55 -1.39 118.33 127.64 3h5x n VAL 287 Ca 0.02 -1.39 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 3h5x n VAL 287 Cb 0.48 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 3h5x n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h5x n GLY 288 N 0.54 1.98 0.18 7.63 0.00 -1.26 -4.49 105.19 109.76 3h5x n GLY 288 Ca 0.28 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.78 3h5x n GLY 288 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h5x h ASP 289 N 0.00 0.00 -4.77 1.61 5.19 -1.90 -3.05 116.42 113.50 3h5x h ASP 289 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 3h5x h ASP 289 Cb 0.00 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 39.31 3h5x h ASP 289 CO 0.00 0.41 -0.73 -0.36 -3.12 0.00 0.00 179.24 175.44 3h5x s PHE 290 N -3.40 0.66 -0.16 4.55 0.08 -1.26 -2.37 117.98 116.09 3h5x s PHE 290 Ca 0.01 -0.57 -0.08 0.00 0.12 0.00 0.00 56.93 56.42 3h5x s PHE 290 Cb 0.10 -0.40 -0.04 0.00 -0.57 0.00 0.00 43.02 42.10 3h5x s PHE 290 CO 0.70 -0.11 0.10 0.99 -0.10 0.00 0.00 175.22 176.80 3h5x s THR 291 N -1.75 5.11 0.25 0.64 2.01 0.39 -0.33 115.64 121.96 3h5x s THR 291 Ca -0.07 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.02 3h5x s THR 291 Cb -0.08 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 3h5x s THR 291 CO -0.01 0.51 0.06 0.27 -0.69 0.00 0.00 174.62 174.76 3h5x s ILE 292 N -0.10 0.74 -0.18 1.82 -4.36 -0.14 -0.42 121.20 118.56 3h5x s ILE 292 Ca 0.08 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.47 3h5x s ILE 292 Cb -0.12 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.04 3h5x s ILE 292 CO 0.01 -0.11 -0.14 -0.55 0.24 0.00 0.00 174.94 174.39 3h5x s SER 293 N -3.32 3.62 -0.27 4.36 0.15 -0.70 -1.07 113.70 116.47 3h5x s SER 293 Ca 0.35 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.49 3h5x s SER 293 Cb 0.07 -1.58 0.05 0.00 -1.71 0.00 0.00 66.02 62.86 3h5x s SER 293 CO 0.12 0.03 -0.06 -0.63 1.20 0.00 0.00 173.24 173.90 3h5x s ILE 294 N 1.15 2.57 -1.34 6.45 -1.09 0.28 -4.01 121.20 125.20 3h5x s ILE 294 Ca 0.01 -1.47 0.25 0.00 -2.23 0.00 0.00 60.65 57.22 3h5x s ILE 294 Cb -0.14 -2.47 0.11 0.00 -1.58 0.00 0.00 42.46 38.37 3h5x s ILE 294 CO -0.05 -0.03 1.46 -0.46 -1.23 0.00 0.00 174.94 174.62 3h5x n ASN 295 N 4.54 0.77 -4.40 3.58 0.23 -1.26 -0.19 115.26 118.52 3h5x n ASN 295 Ca -0.14 -0.57 -0.23 0.00 -0.53 0.00 0.00 54.58 53.11 3h5x n ASN 295 Cb 0.43 0.23 -0.10 0.00 -2.08 0.00 0.00 39.78 38.26 3h5x n ASN 295 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3h5x s GLU 296 N -2.78 1.73 0.04 -3.83 0.41 -1.26 -4.77 118.70 108.25 3h5x s GLU 296 Ca 0.17 -1.99 0.00 0.00 -0.41 0.00 0.00 54.97 52.74 3h5x s GLU 296 Cb 0.18 -0.85 0.00 0.00 -1.78 0.00 0.00 34.13 31.68 3h5x s GLU 296 CO 0.63 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.55 3h5x n GLY 297 N -0.76 -1.50 3.49 -1.39 0.00 -0.84 -4.88 105.19 99.31 3h5x n GLY 297 Ca -0.04 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 3h5x n GLY 297 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h5x s LEU 298 N -3.19 3.44 -1.34 0.99 0.20 -0.74 -4.80 118.68 113.25 3h5x s LEU 298 Ca 0.00 -0.14 -0.16 0.00 0.69 0.00 0.00 54.13 54.52 3h5x s LEU 298 Cb 0.00 -1.89 0.08 0.00 -0.43 0.00 0.00 46.19 43.95 3h5x s LEU 298 CO 0.00 0.05 1.86 -0.81 -0.29 0.00 0.00 176.35 177.16 3h5x n PRO 299 N 4.34 3.15 -1.71 0.98 -0.04 -1.26 -4.70 135.00 135.76 3h5x n PRO 299 Ca -0.17 -3.17 -0.58 0.00 -0.04 0.00 0.00 63.50 59.55 3h5x n PRO 299 Cb 0.52 -3.33 -0.07 0.00 -0.04 0.00 0.00 33.50 30.57 3h5x n PRO 299 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3h5x n SER 300 N 6.98 2.24 0.00 3.54 2.88 -1.26 -1.45 113.62 126.55 3h5x n SER 300 Ca 0.48 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 59.10 3h5x n SER 300 Cb 0.43 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 3h5x n SER 300 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h5x n GLY 301 N 4.10 1.99 3.75 0.46 0.00 -1.26 -0.13 105.19 114.09 3h5x n GLY 301 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 3h5x n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5x s VAL 302 N -2.01 2.25 0.80 1.61 0.11 -0.53 -3.88 120.40 118.75 3h5x s VAL 302 Ca 0.00 0.18 -0.14 0.00 -2.93 0.00 0.00 61.98 59.09 3h5x s VAL 302 Cb 0.00 -3.08 0.04 0.00 -1.53 0.00 0.00 36.38 31.81 3h5x s VAL 302 CO 0.00 -0.02 0.95 -2.65 -3.33 0.00 0.00 175.10 170.05 3h5x n PRO 303 N -1.26 0.19 -1.48 1.54 -0.02 -1.26 -2.39 135.00 130.31 3h5x n PRO 303 Ca 0.12 0.13 -0.16 0.00 -2.02 0.00 0.00 63.50 61.56 3h5x n PRO 303 Cb 0.47 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 3h5x n PRO 303 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5x h THR 305 N 0.00 0.23 -0.09 0.00 2.02 -1.85 0.44 112.91 113.65 3h5x h THR 305 Ca -0.34 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3h5x h THR 305 Cb 1.17 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3h5x h THR 305 CO 0.49 0.00 0.03 0.28 0.37 0.00 0.00 175.52 176.69 3h5x h SER 306 N -0.11 0.13 -0.41 4.18 0.02 -1.90 -1.67 113.55 113.79 3h5x h SER 306 Ca 0.26 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 3h5x h SER 306 Cb 0.53 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3h5x h SER 306 CO -0.68 0.31 -0.19 1.56 -1.14 0.00 0.00 176.83 176.69 3h5x h GLN 307 N -0.04 0.86 -0.19 3.45 7.50 -1.90 -0.14 115.11 124.64 3h5x h GLN 307 Ca 0.03 -0.37 0.02 0.00 0.50 0.00 0.00 58.65 58.83 3h5x h GLN 307 Cb 0.22 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 3h5x h GLN 307 CO -0.00 1.01 0.07 2.35 -1.50 0.00 0.00 178.83 180.76 3h5x h TRP 308 N 0.67 0.13 -0.80 2.96 7.01 -0.91 -1.41 115.95 123.61 3h5x h TRP 308 Ca 0.09 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.12 3h5x h TRP 308 Cb 0.75 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.73 3h5x h TRP 308 CO 0.06 0.07 0.52 -0.91 -2.79 0.00 0.00 178.44 175.39 3h5x h ASN 309 N 0.17 0.89 -0.52 2.65 2.35 -1.18 -1.08 115.58 118.85 3h5x h ASN 309 Ca 0.08 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 3h5x h ASN 309 Cb 0.04 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3h5x h ASN 309 CO -0.08 0.63 0.01 0.28 -1.65 0.00 0.00 177.43 176.62 3h5x h SER 310 N 1.05 0.90 -0.60 5.81 0.02 -0.76 0.15 113.55 120.12 3h5x h SER 310 Ca 0.30 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3h5x h SER 310 Cb -0.07 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3h5x h SER 310 CO -0.08 0.99 -0.04 0.40 -1.14 0.00 0.00 176.83 176.96 3h5x h ILE 311 N 0.79 1.27 -0.87 3.27 2.04 -1.07 -0.58 117.51 122.35 3h5x h ILE 311 Ca 0.15 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3h5x h ILE 311 Cb 0.52 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3h5x h ILE 311 CO 0.03 0.43 0.56 0.00 0.00 0.00 0.00 178.15 179.17 3h5x h ALA 312 N 0.97 1.11 -0.46 1.87 0.00 -0.98 -0.78 119.26 120.99 3h5x h ALA 312 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3h5x h ALA 312 Cb 0.60 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3h5x h ALA 312 CO 0.04 0.53 0.25 1.25 0.00 0.00 0.00 179.25 181.32 3h5x h HIS 313 N 1.19 0.64 -0.53 0.00 6.17 -0.70 -0.37 115.15 121.55 3h5x h HIS 313 Ca 0.32 -0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.39 3h5x h HIS 313 Cb -0.11 -0.20 -0.03 0.00 2.52 0.00 0.00 27.41 29.59 3h5x h HIS 313 CO -0.01 0.49 0.34 2.35 0.71 0.00 0.00 177.93 181.81 3h5x h TRP 314 N 0.61 0.63 -0.16 5.26 2.91 -0.67 -0.14 115.95 124.39 3h5x h TRP 314 Ca 0.16 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.21 3h5x h TRP 314 Cb 0.06 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.49 3h5x h TRP 314 CO -0.02 0.38 0.09 -0.07 -1.03 0.00 0.00 178.44 177.79 3h5x h LEU 315 N 0.68 0.14 -0.65 0.65 3.38 -0.86 -2.01 115.31 116.64 3h5x h LEU 315 Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3h5x h LEU 315 Cb -0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3h5x h LEU 315 CO -0.07 0.10 0.26 -0.07 0.09 0.00 0.00 178.44 178.76 3h5x h LEU 316 N 0.19 0.90 -0.20 1.67 3.38 -0.68 -0.28 115.31 120.29 3h5x h LEU 316 Ca 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3h5x h LEU 316 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3h5x h LEU 316 CO -0.04 0.82 0.02 0.74 0.09 0.00 0.00 178.44 180.08 3h5x h THR 317 N 0.92 1.24 -0.70 0.22 2.02 -1.01 0.43 112.91 116.03 3h5x h THR 317 Ca 0.22 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.65 3h5x h THR 317 Cb 0.21 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 3h5x h THR 317 CO -0.02 0.24 0.43 -0.07 0.37 0.00 0.00 175.52 176.47 3h5x h LEU 318 N 0.12 0.68 -0.18 2.58 3.38 -1.24 -0.68 115.31 119.97 3h5x h LEU 318 Ca 0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3h5x h LEU 318 Cb 0.35 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3h5x h LEU 318 CO 0.01 0.46 0.05 0.00 0.09 0.00 0.00 178.44 179.05 3h5x h ALA 320 N 0.87 0.37 -0.58 0.00 0.00 -0.74 -0.85 119.26 118.32 3h5x h ALA 320 Ca 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h5x h ALA 320 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3h5x h ALA 320 CO -0.00 0.09 0.35 -0.07 0.00 0.00 0.00 179.25 179.62 3h5x h LEU 321 N 0.27 0.69 -0.22 0.00 3.38 -1.16 -2.43 115.31 115.85 3h5x h LEU 321 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h5x h LEU 321 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3h5x h LEU 321 CO 0.01 0.55 0.14 -1.28 0.09 0.00 0.00 178.44 177.95 3h5x h SER 322 N 0.78 0.25 -0.29 -0.43 0.87 -0.94 -2.56 113.55 111.23 3h5x h SER 322 Ca 0.21 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 3h5x h SER 322 Cb -0.02 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3h5x h SER 322 CO -0.04 0.20 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.11 3h5x h GLU 323 N 0.28 0.64 -0.00 2.24 5.08 -1.01 -0.30 114.58 121.51 3h5x h GLU 323 Ca 0.08 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3h5x h GLU 323 Cb -0.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3h5x h GLU 323 CO -0.02 0.68 -0.30 1.33 -1.00 0.00 0.00 179.01 179.70 3h5x n VAL 324 N -4.23 0.00 0.24 3.13 0.24 -0.93 -3.96 118.33 112.82 3h5x n VAL 324 Ca 0.02 -0.03 0.03 0.00 -2.04 0.00 0.00 64.34 62.32 3h5x n VAL 324 Cb 0.29 0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.68 3h5x n VAL 324 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3h5x n THR 325 N -1.27 0.00 -2.35 3.34 -2.24 -0.97 -4.88 114.28 105.91 3h5x n THR 325 Ca 0.08 -0.29 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 3h5x n THR 325 Cb 0.33 0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 69.37 3h5x n THR 325 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3h5x n ASN 326 N -1.31 -5.45 -4.60 3.42 3.02 -0.14 -5.01 115.26 105.20 3h5x n ASN 326 Ca 0.01 0.06 -0.31 0.00 -0.03 0.00 0.00 54.58 54.30 3h5x n ASN 326 Cb 0.13 -4.57 -0.10 0.00 -0.61 0.00 0.00 39.78 34.63 3h5x n ASN 326 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3h5x s LEU 327 N -5.85 3.17 0.69 3.41 1.43 -1.19 -5.07 118.68 115.27 3h5x s LEU 327 Ca 0.00 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 3h5x s LEU 327 Cb 0.00 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3h5x s LEU 327 CO 0.00 0.24 1.11 -0.94 0.23 0.00 0.00 176.35 176.98 3h5x s SER 328 N -1.76 4.93 0.39 2.29 1.04 -1.26 -4.32 113.70 115.01 3h5x s SER 328 Ca 0.20 1.96 0.10 0.00 0.48 0.00 0.00 55.95 58.69 3h5x s SER 328 Cb -0.11 -2.54 0.88 0.00 0.10 0.00 0.00 66.02 64.35 3h5x s SER 328 CO 0.11 -1.75 1.95 -0.65 0.98 0.00 0.00 173.24 173.88 3h5x h PRO 329 N -0.28 0.57 -0.72 4.02 0.11 -1.88 -0.57 132.00 133.26 3h5x h PRO 329 Ca -0.46 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3h5x h PRO 329 Cb 1.24 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3h5x h PRO 329 CO 0.53 0.38 0.46 -0.44 -0.21 0.00 0.00 178.00 178.72 3h5x h ASP 330 N 0.59 0.76 -0.41 -2.05 5.19 -1.92 0.91 116.42 119.49 3h5x h ASP 330 Ca 0.32 -0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.61 3h5x h ASP 330 Cb 0.48 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 3h5x h ASP 330 CO -0.11 0.53 -0.23 0.40 -3.12 0.00 0.00 179.24 176.71 3h5x h ILE 331 N 0.90 1.28 -0.36 0.35 1.08 -1.66 -1.40 117.51 117.69 3h5x h ILE 331 Ca 0.28 -1.38 -0.00 0.00 -0.39 0.00 0.00 64.86 63.37 3h5x h ILE 331 Cb -0.00 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 3h5x h ILE 331 CO -0.10 0.46 0.21 0.40 -0.69 0.00 0.00 178.15 178.43 3h5x h ILE 332 N 0.69 1.13 -0.43 -0.67 1.08 -0.87 -2.84 117.51 115.60 3h5x h ILE 332 Ca 0.09 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 3h5x h ILE 332 Cb 0.80 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 3h5x h ILE 332 CO 0.07 0.13 0.14 -0.61 -0.69 0.00 0.00 178.15 177.19 3h5x h GLN 333 N 0.47 0.66 0.00 2.37 5.75 -0.72 -2.39 115.11 121.24 3h5x h GLN 333 Ca 0.13 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3h5x h GLN 333 Cb 0.03 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.48 3h5x h GLN 333 CO -0.02 0.64 -0.00 0.00 -2.65 0.00 0.00 178.83 176.79 3h5x h ALA 334 N 0.99 1.62 -0.16 3.38 0.00 -1.17 -2.84 119.26 121.07 3h5x h ALA 334 Ca 0.14 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3h5x h ALA 334 Cb 0.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3h5x h ALA 334 CO -0.01 0.01 -0.12 0.09 0.00 0.00 0.00 179.25 179.22 3h5x n ASN 335 N -3.98 2.62 -3.99 0.00 3.02 -0.94 -5.02 115.26 106.97 3h5x n ASN 335 Ca -0.03 -3.43 -0.10 0.00 -0.03 0.00 0.00 54.58 50.99 3h5x n ASN 335 Cb 0.09 -0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 38.65 3h5x n ASN 335 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3h5x s SER 336 N -2.63 0.07 -0.05 6.41 0.01 -0.96 -1.45 113.70 115.10 3h5x s SER 336 Ca 0.39 -0.93 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 3h5x s SER 336 Cb 0.35 0.43 0.04 0.00 0.21 0.00 0.00 66.02 67.04 3h5x s SER 336 CO 0.01 -0.89 0.10 -0.22 0.41 0.00 0.00 173.24 172.65 3h5x s LEU 337 N -2.99 0.31 0.08 2.44 2.96 0.05 -4.88 118.68 116.65 3h5x s LEU 337 Ca 0.19 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 3h5x s LEU 337 Cb 0.04 0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.75 3h5x s LEU 337 CO 0.01 -0.21 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.43 3h5x s PHE 338 N 1.89 2.91 -0.11 5.38 0.08 -1.26 -1.89 117.98 124.98 3h5x s PHE 338 Ca 0.00 -0.06 -0.01 0.00 0.12 0.00 0.00 56.93 56.99 3h5x s PHE 338 Cb -0.12 -1.52 0.03 0.00 -0.57 0.00 0.00 43.02 40.83 3h5x s PHE 338 CO -0.04 0.45 -0.06 -1.12 -0.10 0.00 0.00 175.22 174.35 3h5x s SER 339 N -2.12 2.11 -0.00 1.36 0.01 -0.37 -4.24 113.70 110.44 3h5x s SER 339 Ca 0.23 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.25 3h5x s SER 339 Cb -0.11 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.35 3h5x s SER 339 CO 0.15 -0.14 -0.17 -0.36 0.41 0.00 0.00 173.24 173.13 3h5x s PHE 340 N 1.76 1.47 -0.30 2.43 0.08 0.26 -1.28 117.98 122.40 3h5x s PHE 340 Ca 0.05 -0.29 -0.03 0.00 0.12 0.00 0.00 56.93 56.78 3h5x s PHE 340 Cb -0.13 -0.94 0.11 0.00 -0.57 0.00 0.00 43.02 41.50 3h5x s PHE 340 CO -0.08 -0.01 0.17 -0.47 -0.10 0.00 0.00 175.22 174.74 3h5x s TYR 341 N -0.46 0.28 0.00 0.36 6.14 -0.59 -1.25 117.35 121.83 3h5x s TYR 341 Ca 0.06 -0.93 0.00 0.00 0.64 0.00 0.00 57.07 56.84 3h5x s TYR 341 Cb -0.07 -0.83 0.00 0.00 0.42 0.00 0.00 41.96 41.48 3h5x s TYR 341 CO -0.00 -0.85 0.00 0.41 0.64 0.00 0.00 175.55 175.75 3h5x n GLY 342 N 5.00 4.09 0.11 8.97 0.00 -1.26 -1.35 105.19 120.74 3h5x n GLY 342 Ca -0.02 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3h5x n GLY 342 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h5x n ASP 343 N 9.27 0.80 -4.74 1.61 5.75 -1.26 -4.37 116.55 123.60 3h5x n ASP 343 Ca 0.00 -0.59 -0.41 0.00 -0.01 0.00 0.00 54.79 53.78 3h5x n ASP 343 Cb 0.00 0.29 -0.04 0.00 -1.03 0.00 0.00 41.12 40.35 3h5x n ASP 343 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h5x s ASP 344 N -2.81 7.17 -0.04 -1.12 -1.08 -0.46 -4.57 116.67 113.76 3h5x s ASP 344 Ca 0.16 2.20 -0.12 0.00 -0.52 0.00 0.00 52.55 54.26 3h5x s ASP 344 Cb 0.18 -2.61 0.02 0.00 -1.46 0.00 0.00 42.92 39.05 3h5x s ASP 344 CO 0.65 -0.29 0.28 -1.83 0.52 0.00 0.00 175.17 174.50 3h5x s GLU 345 N -0.50 0.55 -0.09 4.34 -1.05 -1.26 -1.55 118.70 119.16 3h5x s GLU 345 Ca 0.50 -0.07 0.02 0.00 -0.15 0.00 0.00 54.97 55.27 3h5x s GLU 345 Cb -0.32 0.25 0.01 0.00 -0.44 0.00 0.00 34.13 33.64 3h5x s GLU 345 CO 0.37 -0.13 -0.13 0.42 0.95 0.00 0.00 175.26 176.74 3h5x s ILE 346 N -0.95 1.27 -0.16 1.83 1.01 -0.40 -3.10 121.20 120.70 3h5x s ILE 346 Ca -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3h5x s ILE 346 Cb -0.05 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.25 3h5x s ILE 346 CO 0.03 0.39 -0.15 -0.69 0.00 0.00 0.00 174.94 174.52 3h5x s VAL 347 N 0.90 2.64 0.00 2.92 1.01 -0.34 -1.24 120.40 126.30 3h5x s VAL 347 Ca -0.09 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3h5x s VAL 347 Cb -0.15 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3h5x s VAL 347 CO 0.01 0.51 -0.23 -0.44 0.00 0.00 0.00 175.10 174.94 3h5x s SER 348 N 0.92 2.75 0.06 3.32 0.01 -0.79 -0.47 113.70 119.50 3h5x s SER 348 Ca -0.03 -0.46 -0.21 0.00 1.31 0.00 0.00 55.95 56.56 3h5x s SER 348 Cb -0.15 -0.28 0.05 0.00 0.21 0.00 0.00 66.02 65.84 3h5x s SER 348 CO -0.02 0.26 0.48 0.28 0.41 0.00 0.00 173.24 174.66 3h5x s THR 349 N -0.63 0.04 -2.02 1.44 -1.32 0.17 -0.77 115.64 112.56 3h5x s THR 349 Ca 0.09 -0.32 0.26 0.00 -1.21 0.00 0.00 61.69 60.50 3h5x s THR 349 Cb -0.09 -0.99 0.24 0.00 -1.51 0.00 0.00 72.50 70.15 3h5x s THR 349 CO 0.00 -0.18 1.45 0.47 -2.21 0.00 0.00 174.62 174.16 3h5x n ASP 350 N 0.35 1.47 -4.75 8.08 8.00 -0.53 -1.06 116.55 128.12 3h5x n ASP 350 Ca -0.18 -1.21 -0.40 0.00 0.71 0.00 0.00 54.79 53.71 3h5x n ASP 350 Cb 0.61 0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.85 3h5x n ASP 350 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h5x s ILE 351 N -2.39 4.70 -0.06 0.53 1.01 -1.26 -4.91 121.20 118.82 3h5x s ILE 351 Ca 0.25 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 62.22 3h5x s ILE 351 Cb 0.19 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3h5x s ILE 351 CO 0.49 0.39 1.27 -0.75 0.00 0.00 0.00 174.94 176.34 3h5x s LYS 352 N -0.19 4.31 0.08 2.79 2.47 -1.26 -4.90 119.74 123.04 3h5x s LYS 352 Ca 0.38 1.76 0.08 0.00 -1.56 0.00 0.00 55.97 56.63 3h5x s LYS 352 Cb -0.21 -3.60 -0.04 0.00 -1.46 0.00 0.00 37.83 32.53 3h5x s LYS 352 CO 0.23 -0.53 -0.19 -0.51 0.16 0.00 0.00 175.35 174.52 3h5x s LEU 353 N 2.49 2.63 -0.52 5.43 1.43 -1.26 -5.01 118.68 123.86 3h5x s LEU 353 Ca 0.58 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 3h5x s LEU 353 Cb -0.26 -1.51 0.08 0.00 0.03 0.00 0.00 46.19 44.52 3h5x s LEU 353 CO 0.22 0.22 0.58 -0.62 0.23 0.00 0.00 176.35 176.98 3h5x s ASP 354 N -1.77 6.20 0.53 2.29 -1.08 -1.26 -4.95 116.67 116.62 3h5x s ASP 354 Ca 0.16 -1.17 0.21 0.00 -0.52 0.00 0.00 52.55 51.23 3h5x s ASP 354 Cb -0.10 -2.26 1.36 0.00 -1.46 0.00 0.00 42.92 40.45 3h5x s ASP 354 CO 0.07 -0.88 2.08 1.55 0.52 0.00 0.00 175.17 178.51 3h5x h PRO 355 N 8.97 0.00 -0.13 4.34 0.13 -1.99 -1.13 132.00 142.19 3h5x h PRO 355 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 3h5x h PRO 355 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3h5x h PRO 355 CO 0.98 0.00 -0.05 1.49 -0.23 0.00 0.00 178.00 180.19 3h5x h GLU 356 N 0.00 0.27 -0.17 0.86 4.81 -1.92 -2.39 114.58 116.04 3h5x h GLU 356 Ca 0.12 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 3h5x h GLU 356 Cb 0.49 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3h5x h GLU 356 CO -0.00 0.59 -0.57 0.87 -0.73 0.00 0.00 179.01 179.16 3h5x h LYS 357 N -0.06 0.53 -0.52 1.92 1.57 -1.73 -2.78 116.57 115.50 3h5x h LYS 357 Ca 0.03 -0.34 -0.11 0.00 -1.87 0.00 0.00 60.65 58.36 3h5x h LYS 357 Cb 0.50 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 3h5x h LYS 357 CO 0.02 0.95 -0.09 1.25 -0.57 0.00 0.00 179.45 181.02 3h5x h LEU 358 N 0.40 0.98 -0.53 2.94 5.85 -1.26 -1.04 115.31 122.66 3h5x h LEU 358 Ca 0.00 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.39 3h5x h LEU 358 Cb 1.12 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3h5x h LEU 358 CO 0.11 1.10 0.33 0.74 -0.34 0.00 0.00 178.44 180.38 3h5x h THR 359 N 0.85 1.09 -0.29 1.05 2.02 -1.41 -1.43 112.91 114.79 3h5x h THR 359 Ca 0.14 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 3h5x h THR 359 Cb 0.64 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3h5x h THR 359 CO 0.04 0.12 -0.34 0.00 0.37 0.00 0.00 175.52 175.72 3h5x h ALA 360 N 1.22 0.86 -0.43 6.16 0.00 -1.20 -1.45 119.26 124.42 3h5x h ALA 360 Ca 0.21 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3h5x h ALA 360 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3h5x h ALA 360 CO -0.07 0.63 -0.08 -0.22 0.00 0.00 0.00 179.25 179.51 3h5x h LYS 361 N 0.54 0.81 -0.42 0.00 1.63 -1.00 0.51 116.57 118.64 3h5x h LYS 361 Ca 0.06 -0.30 -0.02 0.00 -0.85 0.00 0.00 60.65 59.54 3h5x h LYS 361 Cb 0.84 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.40 3h5x h LYS 361 CO 0.07 0.92 0.20 -0.07 -3.45 0.00 0.00 179.45 177.11 3h5x h LEU 362 N 0.64 0.55 -1.42 5.20 3.38 -1.03 -2.44 115.31 120.19 3h5x h LEU 362 Ca 0.11 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3h5x h LEU 362 Cb 0.60 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3h5x h LEU 362 CO 0.04 0.53 -0.13 0.11 0.09 0.00 0.00 178.44 179.08 3h5x h LYS 363 N 0.53 0.22 -0.26 1.13 1.57 -1.14 -2.41 116.57 116.21 3h5x h LYS 363 Ca 0.14 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3h5x h LYS 363 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3h5x h LYS 363 CO -0.02 0.36 -0.03 1.49 -0.57 0.00 0.00 179.45 180.69 3h5x h GLU 364 N 0.21 0.39 0.00 3.15 4.81 -0.44 -0.48 114.58 122.22 3h5x h GLU 364 Ca 0.04 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3h5x h GLU 364 Cb 0.37 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3h5x h GLU 364 CO 0.02 0.44 0.00 0.66 -0.73 0.00 0.00 179.01 179.41 3h5x n TYR 365 N -4.31 0.00 -0.33 0.92 4.01 -0.94 -0.46 117.16 116.05 3h5x n TYR 365 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3h5x n TYR 365 Cb 0.23 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 3h5x n TYR 365 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h5x n GLY 366 N 0.60 0.69 3.87 2.72 0.00 -0.19 -4.07 105.19 108.82 3h5x n GLY 366 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3h5x n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h5x s LEU 367 N 0.00 3.18 -0.56 0.99 1.43 -1.00 -4.79 118.68 117.93 3h5x s LEU 367 Ca 0.00 1.40 0.06 0.00 -1.03 0.00 0.00 54.13 54.56 3h5x s LEU 367 Cb 0.00 -4.41 0.23 0.00 0.03 0.00 0.00 46.19 42.04 3h5x s LEU 367 CO 0.00 -0.97 0.62 0.29 0.23 0.00 0.00 176.35 176.52 3h5x n LYS 368 N -2.81 1.76 -1.97 1.70 5.02 -1.26 -4.00 118.16 116.60 3h5x n LYS 368 Ca 0.06 -4.14 -0.39 0.00 -2.02 0.00 0.00 58.31 51.83 3h5x n LYS 368 Cb 0.54 -1.93 0.01 0.00 -0.02 0.00 0.00 35.03 33.63 3h5x n LYS 368 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3h5x s PRO 369 N -1.79 3.69 -0.43 1.97 0.04 -1.26 -1.77 135.00 135.45 3h5x s PRO 369 Ca 0.36 2.18 0.04 0.00 0.04 0.00 0.00 61.00 63.61 3h5x s PRO 369 Cb 0.12 -2.57 0.12 0.00 0.04 0.00 0.00 34.50 32.20 3h5x s PRO 369 CO -0.08 -0.73 0.17 0.99 0.04 0.00 0.00 177.00 177.40 3h5x s THR 370 N -1.30 2.25 0.92 1.26 2.01 -0.07 -4.91 115.64 115.80 3h5x s THR 370 Ca 0.62 -2.76 -0.15 0.00 0.31 0.00 0.00 61.69 59.71 3h5x s THR 370 Cb -0.38 -2.61 -0.07 0.00 0.01 0.00 0.00 72.50 69.45 3h5x s THR 370 CO 0.48 -0.73 -0.16 -0.81 -0.69 0.00 0.00 174.62 172.72 3h5x n PRO 378 N 3.69 -0.08 -0.75 4.92 -0.04 -1.26 -4.20 135.00 137.28 3h5x n PRO 378 Ca 0.05 -0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.19 3h5x n PRO 378 Cb 0.37 -1.42 0.16 0.00 -0.04 0.00 0.00 33.50 32.57 3h5x n PRO 378 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3h5x s LEU 379 N 3.45 2.82 -0.18 1.53 1.43 -1.26 -5.02 118.68 121.45 3h5x s LEU 379 Ca 0.50 2.14 -0.05 0.00 -1.03 0.00 0.00 54.13 55.69 3h5x s LEU 379 Cb -0.23 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.43 3h5x s LEU 379 CO 0.73 -3.02 -0.00 -0.69 0.23 0.00 0.00 176.35 173.60 3h5x s VAL 380 N -2.67 4.04 -0.21 -1.59 1.01 -1.26 -4.81 120.40 114.90 3h5x s VAL 380 Ca 0.66 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 3h5x s VAL 380 Cb -0.22 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3h5x s VAL 380 CO 0.58 0.45 0.05 -0.63 0.00 0.00 0.00 175.10 175.55 3h5x s ILE 381 N 0.73 4.37 0.17 2.22 1.01 -1.26 -4.64 121.20 123.79 3h5x s ILE 381 Ca -0.00 -0.17 0.08 0.00 0.00 0.00 0.00 60.65 60.56 3h5x s ILE 381 Cb -0.14 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3h5x s ILE 381 CO 0.02 0.40 -0.05 -0.55 0.00 0.00 0.00 174.94 174.76 3h5x s SER 382 N 1.03 4.52 0.00 3.58 0.15 -0.27 -4.92 113.70 117.79 3h5x s SER 382 Ca 0.03 -0.46 0.21 0.00 0.70 0.00 0.00 55.95 56.43 3h5x s SER 382 Cb -0.14 -0.88 0.57 0.00 -1.71 0.00 0.00 66.02 63.86 3h5x s SER 382 CO 0.03 0.11 1.48 -0.62 1.20 0.00 0.00 173.24 175.43 3h5x n GLU 383 N 0.07 2.50 -4.27 5.44 1.02 -1.26 -0.41 120.64 123.72 3h5x n GLU 383 Ca -0.11 -2.32 -0.23 0.00 -0.02 0.00 0.00 57.16 54.49 3h5x n GLU 383 Cb 0.55 -1.51 -0.17 0.00 -0.02 0.00 0.00 31.44 30.29 3h5x n GLU 383 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h5x s ASP 384 N -1.08 1.47 0.33 1.62 -1.08 -1.26 -4.87 116.67 111.81 3h5x s ASP 384 Ca 0.43 -0.22 0.16 0.00 -0.52 0.00 0.00 52.55 52.40 3h5x s ASP 384 Cb 0.23 -0.65 0.53 0.00 -1.46 0.00 0.00 42.92 41.57 3h5x s ASP 384 CO 0.30 -0.04 1.67 0.25 0.52 0.00 0.00 175.17 177.88 3h5x h LEU 385 N 7.29 0.00 -9.27 -1.34 5.85 -1.93 -3.46 115.31 112.45 3h5x h LEU 385 Ca -0.33 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 57.71 3h5x h LEU 385 Cb 1.16 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.24 3h5x h LEU 385 CO 0.45 0.47 0.56 0.59 -0.34 0.00 0.00 178.44 180.17 3h5x n ASN 386 N -3.59 1.91 0.00 1.25 3.02 -1.26 -2.17 115.26 114.42 3h5x n ASN 386 Ca -0.00 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 3h5x n ASN 386 Cb 0.56 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 3h5x n ASN 386 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h5x n GLY 387 N 2.87 1.57 3.73 7.41 0.00 -0.53 -5.02 105.19 115.23 3h5x n GLY 387 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3h5x n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h5x s LEU 388 N 0.00 3.00 0.12 0.99 1.02 -0.92 -4.74 118.68 118.16 3h5x s LEU 388 Ca 0.00 2.00 0.06 0.00 0.02 0.00 0.00 54.13 56.21 3h5x s LEU 388 Cb 0.00 -4.54 -0.04 0.00 0.02 0.00 0.00 46.19 41.63 3h5x s LEU 388 CO 0.00 -2.41 -0.14 0.42 0.02 0.00 0.00 176.35 174.24 3h5x s THR 389 N -2.73 1.36 -0.29 5.49 -4.23 -1.26 -0.77 115.64 113.21 3h5x s THR 389 Ca 0.64 -1.73 -0.13 0.00 -1.18 0.00 0.00 61.69 59.30 3h5x s THR 389 Cb -0.20 -1.55 0.11 0.00 1.34 0.00 0.00 72.50 72.21 3h5x s THR 389 CO 0.55 -0.41 0.70 0.12 -0.54 0.00 0.00 174.62 175.04 3h5x s PHE 390 N -2.13 -1.18 -1.44 3.99 5.36 -0.40 -4.79 117.98 117.39 3h5x s PHE 390 Ca 0.09 2.16 -0.09 0.00 -0.96 0.00 0.00 56.93 58.12 3h5x s PHE 390 Cb -0.05 0.71 0.03 0.00 -0.34 0.00 0.00 43.02 43.37 3h5x s PHE 390 CO 0.03 -0.59 0.98 1.28 -1.46 0.00 0.00 175.22 175.47 3h5x n LEU 391 N 4.95 -2.95 -1.17 6.12 4.77 -1.26 -1.80 117.00 125.66 3h5x n LEU 391 Ca -0.15 -0.53 -0.14 0.00 -0.03 0.00 0.00 56.01 55.15 3h5x n LEU 391 Cb 0.53 -2.86 -0.05 0.00 -2.33 0.00 0.00 43.42 38.70 3h5x n LEU 391 CO -0.03 0.50 -0.14 0.54 -1.33 0.00 0.00 177.39 176.92 3h5x n ARG 392 N -4.66 -1.02 -4.51 3.23 1.74 -1.26 -4.98 116.66 105.19 3h5x n ARG 392 Ca -0.01 0.96 -0.32 0.00 -0.77 0.00 0.00 57.85 57.72 3h5x n ARG 392 Cb 0.56 -5.10 -0.11 0.00 -1.02 0.00 0.00 32.46 26.80 3h5x n ARG 392 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h5x s ARG 393 N -3.42 2.39 -0.21 5.56 0.52 -0.74 -1.44 118.95 121.62 3h5x s ARG 393 Ca 0.00 -0.81 -0.15 0.00 -0.52 0.00 0.00 55.73 54.25 3h5x s ARG 393 Cb 0.00 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 3h5x s ARG 393 CO 0.00 0.58 0.35 0.99 0.02 0.00 0.00 175.30 177.24 3h5x s THR 394 N -0.98 5.23 -0.03 0.02 2.01 0.63 -1.28 115.64 121.24 3h5x s THR 394 Ca 0.17 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 3h5x s THR 394 Cb -0.11 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 3h5x s THR 394 CO 0.07 0.27 1.16 0.68 -0.69 0.00 0.00 174.62 176.12 3h5x s VAL 395 N 1.24 4.32 0.03 3.82 -7.23 0.05 -1.35 120.40 121.27 3h5x s VAL 395 Ca 0.17 1.64 0.01 0.00 -1.81 0.00 0.00 61.98 61.99 3h5x s VAL 395 Cb -0.14 -4.06 -0.02 0.00 0.56 0.00 0.00 36.38 32.72 3h5x s VAL 395 CO 0.07 0.04 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.96 3h5x s THR 396 N 1.83 0.34 -0.03 5.32 2.01 0.33 -1.45 115.64 123.99 3h5x s THR 396 Ca 0.55 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.80 3h5x s THR 396 Cb -0.25 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 3h5x s THR 396 CO 0.24 -0.32 -0.21 -0.60 -0.69 0.00 0.00 174.62 173.04 3h5x s ARG 397 N -1.20 1.86 0.40 4.92 3.52 -1.26 -0.38 118.95 126.80 3h5x s ARG 397 Ca -0.09 -0.73 0.04 0.00 -0.13 0.00 0.00 55.73 54.81 3h5x s ARG 397 Cb -0.08 -1.70 -0.01 0.00 -1.56 0.00 0.00 34.95 31.60 3h5x s ARG 397 CO -0.00 0.38 0.14 -0.40 -0.81 0.00 0.00 175.30 174.61 3h5x n ASP 398 N 2.79 1.27 0.01 -2.12 5.68 -0.21 -4.99 116.55 118.98 3h5x n ASP 398 Ca -0.16 -3.10 0.21 0.00 -0.50 0.00 0.00 54.79 51.24 3h5x n ASP 398 Cb 0.53 0.98 0.72 0.00 -1.14 0.00 0.00 41.12 42.21 3h5x n ASP 398 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3h5x h PRO 399 N 0.00 0.00 0.00 0.11 0.11 -2.04 0.16 132.00 130.33 3h5x h PRO 399 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3h5x h PRO 399 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3h5x h PRO 399 CO 0.49 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 178.10 3h5x h ALA 400 N 1.65 0.89 0.00 -0.75 0.00 -2.03 -3.50 119.26 115.53 3h5x h ALA 400 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3h5x h ALA 400 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3h5x h ALA 400 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3h5x n GLY 401 N 1.26 0.98 3.87 0.00 0.00 0.54 -5.11 105.19 106.74 3h5x n GLY 401 Ca 0.04 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 3h5x n GLY 401 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h5x s TRP 402 N -2.48 3.54 0.19 1.61 0.52 -1.26 -1.04 118.94 120.03 3h5x s TRP 402 Ca 0.00 0.80 -0.18 0.00 0.02 0.00 0.00 56.10 56.74 3h5x s TRP 402 Cb 0.00 -2.18 0.03 0.00 -1.15 0.00 0.00 33.47 30.17 3h5x s TRP 402 CO 0.00 0.45 0.54 -0.59 0.02 0.00 0.00 176.95 177.37 3h5x s PHE 403 N -1.52 -0.18 -0.21 -1.98 -0.71 0.49 -4.01 117.98 109.86 3h5x s PHE 403 Ca 0.37 -0.15 -0.04 0.00 -1.04 0.00 0.00 56.93 56.08 3h5x s PHE 403 Cb -0.13 0.43 -0.01 0.00 -1.21 0.00 0.00 43.02 42.10 3h5x s PHE 403 CO 0.20 -0.92 -0.05 0.20 -1.34 0.00 0.00 175.22 173.31 3h5x s GLY 404 N -2.86 1.61 -0.18 1.99 0.00 -1.26 -0.51 107.32 106.11 3h5x s GLY 404 Ca 0.08 -1.12 -0.17 0.00 0.00 0.00 0.00 44.72 43.51 3h5x s GLY 404 CO -0.04 0.34 0.46 0.54 0.00 0.00 0.00 173.10 174.41 3h5x s LYS 405 N 1.31 4.22 0.20 2.90 1.02 -0.46 -4.82 119.74 124.12 3h5x s LYS 405 Ca 0.04 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.08 3h5x s LYS 405 Cb -0.14 -3.52 -0.08 0.00 -0.52 0.00 0.00 37.83 33.57 3h5x s LYS 405 CO -0.02 -0.03 1.09 -1.17 -0.92 0.00 0.00 175.35 174.30 3h5x s LEU 406 N 1.25 4.51 0.09 3.17 2.96 -1.26 -0.27 118.68 129.12 3h5x s LEU 406 Ca 0.23 2.12 -0.36 0.00 -0.22 0.00 0.00 54.13 55.89 3h5x s LEU 406 Cb -0.15 -3.61 -0.17 0.00 0.50 0.00 0.00 46.19 42.76 3h5x s LEU 406 CO 0.09 -0.18 1.20 1.21 -1.32 0.00 0.00 176.35 177.35 3h5x n GLU 407 N 2.07 0.80 -0.34 1.98 4.07 -0.52 -4.85 120.64 123.85 3h5x n GLU 407 Ca 0.02 0.29 0.04 0.00 -0.06 0.00 0.00 57.16 57.44 3h5x n GLU 407 Cb 0.46 -1.84 0.21 0.00 -0.06 0.00 0.00 31.44 30.21 3h5x n GLU 407 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 3h5x h GLN 408 N 3.76 1.07 -0.17 5.31 4.20 -1.92 -1.25 115.11 126.11 3h5x h GLN 408 Ca -0.47 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.15 3h5x h GLN 408 Cb 1.37 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 3h5x h GLN 408 CO 0.72 0.70 -0.04 0.66 -0.67 0.00 0.00 178.83 180.20 3h5x h SER 409 N 1.10 0.22 0.55 1.46 4.64 -1.99 -1.51 113.55 118.02 3h5x h SER 409 Ca 0.42 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.66 3h5x h SER 409 Cb 0.22 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3h5x h SER 409 CO -0.17 0.31 -0.26 0.28 -0.87 0.00 0.00 176.83 176.12 3h5x h SER 410 N 0.24 0.00 0.45 4.97 0.02 -1.58 -2.36 113.55 115.30 3h5x h SER 410 Ca 0.05 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.70 3h5x h SER 410 Cb 0.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.79 3h5x h SER 410 CO 0.01 0.26 -1.41 0.40 -1.14 0.00 0.00 176.83 174.95 3h5x h ILE 411 N 0.00 1.33 0.00 3.27 2.04 -1.17 -3.35 117.51 119.63 3h5x h ILE 411 Ca -0.00 -2.87 -0.10 0.00 1.00 0.00 0.00 64.86 62.89 3h5x h ILE 411 Cb 0.60 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 3h5x h ILE 411 CO 0.03 0.85 -0.49 -0.07 0.00 0.00 0.00 178.15 178.48 3h5x h LEU 412 N 0.10 0.00 -0.97 1.44 3.38 -1.17 -3.38 115.31 114.71 3h5x h LEU 412 Ca -0.21 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.82 3h5x h LEU 412 Cb 2.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.74 3h5x h LEU 412 CO 0.22 0.49 0.62 -0.09 0.09 0.00 0.00 178.44 179.77 3h5x h ARG 413 N 0.00 1.12 0.00 1.13 2.43 -1.57 -0.78 114.38 116.71 3h5x h ARG 413 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3h5x h ARG 413 Cb 1.20 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3h5x h ARG 413 CO 0.06 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.26 3h5x n GLN 414 N -4.52 0.01 0.06 0.20 10.64 -1.26 -1.74 117.38 120.77 3h5x n GLN 414 Ca 0.14 0.26 0.12 0.00 -1.83 0.00 0.00 57.00 55.69 3h5x n GLN 414 Cb 0.16 -1.52 0.48 0.00 -0.86 0.00 0.00 30.24 28.50 3h5x n GLN 414 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 3h5x n MET 415 N -1.54 0.12 -0.00 2.61 2.81 -0.30 -3.80 117.12 117.02 3h5x n MET 415 Ca 0.03 0.18 0.01 0.00 -1.81 0.00 0.00 57.70 56.11 3h5x n MET 415 Cb 0.17 -1.66 -0.01 0.00 -0.71 0.00 0.00 33.22 31.01 3h5x n MET 415 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3h5x n TYR 416 N -1.88 0.00 -4.55 2.03 4.01 -0.71 -4.85 117.16 111.21 3h5x n TYR 416 Ca 0.05 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 3h5x n TYR 416 Cb 0.33 -0.02 -0.14 0.00 -0.31 0.00 0.00 39.34 39.20 3h5x n TYR 416 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3h5x s TRP 417 N -1.98 1.60 0.11 -0.72 0.52 -1.09 -1.10 118.94 116.27 3h5x s TRP 417 Ca -0.00 -0.36 0.02 0.00 0.02 0.00 0.00 56.10 55.77 3h5x s TRP 417 Cb 0.01 -0.95 -0.04 0.00 -1.15 0.00 0.00 33.47 31.33 3h5x s TRP 417 CO 0.05 0.07 -0.07 -0.08 0.02 0.00 0.00 176.95 176.94 3h5x s THR 418 N -0.80 0.73 -0.06 2.01 -1.32 0.24 -4.65 115.64 111.79 3h5x s THR 418 Ca 0.05 -1.95 -0.11 0.00 -1.21 0.00 0.00 61.69 58.48 3h5x s THR 418 Cb -0.08 -1.71 -0.05 0.00 -1.51 0.00 0.00 72.50 69.14 3h5x s THR 418 CO 0.02 -0.85 0.27 -0.13 -2.21 0.00 0.00 174.62 171.72 3h5x s ARG 419 N -3.83 3.71 0.00 7.08 0.52 -1.26 -0.39 118.95 124.78 3h5x s ARG 419 Ca 0.13 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 3h5x s ARG 419 Cb 0.05 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.30 3h5x s ARG 419 CO -0.04 0.71 0.00 0.41 0.02 0.00 0.00 175.30 176.40 3h5x n GLY 420 N 1.97 3.67 3.61 -3.53 0.00 0.27 -4.94 105.19 106.25 3h5x n GLY 420 Ca -0.17 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 3h5x n GLY 420 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h5x s PRO 421 N 0.36 0.35 0.28 1.61 0.02 -1.26 -4.69 135.00 131.67 3h5x s PRO 421 Ca 0.00 1.20 -0.30 0.00 0.02 0.00 0.00 61.00 61.92 3h5x s PRO 421 Cb 0.00 -1.68 -0.12 0.00 0.02 0.00 0.00 34.50 32.73 3h5x s PRO 421 CO 0.00 -2.97 1.63 0.09 -0.33 0.00 0.00 177.00 175.42 3h5x n ASN 422 N -4.44 3.94 -3.99 2.53 3.02 -1.26 -4.56 115.26 110.50 3h5x n ASN 422 Ca 0.08 1.13 -0.09 0.00 -0.03 0.00 0.00 54.58 55.67 3h5x n ASN 422 Cb 0.53 -1.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.04 3h5x n ASN 422 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3h5x s HIS 423 N 0.19 0.40 -0.16 3.10 -3.43 -0.54 -4.95 115.29 109.91 3h5x s HIS 423 Ca 0.66 -0.75 0.20 0.00 -0.80 0.00 0.00 55.06 54.36 3h5x s HIS 423 Cb -0.49 0.11 -0.12 0.00 -1.43 0.00 0.00 32.58 30.66 3h5x s HIS 423 CO 0.46 -0.93 0.82 0.39 -2.00 0.00 0.00 174.74 173.47 3h5x n GLU 424 N -0.35 0.62 -4.00 -0.38 1.02 -1.26 -1.43 120.64 114.86 3h5x n GLU 424 Ca -0.02 0.11 -0.31 0.00 -0.02 0.00 0.00 57.16 56.92 3h5x n GLU 424 Cb 0.62 -1.76 -0.15 0.00 -0.02 0.00 0.00 31.44 30.13 3h5x n GLU 424 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h5x s ASP 425 N -5.43 4.31 0.56 1.62 -1.08 -1.26 -4.66 116.67 110.72 3h5x s ASP 425 Ca -0.03 -1.50 0.24 0.00 -0.52 0.00 0.00 52.55 50.75 3h5x s ASP 425 Cb 0.10 -1.42 1.54 0.00 -1.46 0.00 0.00 42.92 41.68 3h5x s ASP 425 CO 0.82 -0.25 2.15 -0.65 0.52 0.00 0.00 175.17 177.75 3h5x h PRO 426 N 7.81 0.00 0.00 4.34 0.11 -1.88 -1.02 132.00 141.37 3h5x h PRO 426 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3h5x h PRO 426 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3h5x h PRO 426 CO 0.46 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.12 3h5x n SER 427 N -4.14 0.58 -4.73 -2.05 3.41 -1.26 -2.06 113.62 103.37 3h5x n SER 427 Ca -0.00 0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 3h5x n SER 427 Cb 0.21 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 3h5x n SER 427 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3h5x s GLU 428 N -3.17 4.18 0.28 4.33 2.12 -0.39 -4.62 118.70 121.44 3h5x s GLU 428 Ca 0.08 2.45 0.01 0.00 0.36 0.00 0.00 54.97 57.87 3h5x s GLU 428 Cb 0.12 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 3h5x s GLU 428 CO 0.47 -0.62 0.46 0.95 -0.54 0.00 0.00 175.26 175.98 3h5x s THR 429 N 0.77 5.17 -0.08 -1.70 -4.23 -1.26 -3.11 115.64 111.19 3h5x s THR 429 Ca 0.68 -0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 60.54 3h5x s THR 429 Cb -0.46 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.59 3h5x s THR 429 CO 0.36 -0.38 0.28 -0.32 -0.54 0.00 0.00 174.62 174.01 3h5x s MET 430 N -3.92 0.39 -0.17 3.99 1.75 -0.81 -4.94 119.30 115.58 3h5x s MET 430 Ca 0.38 0.25 -0.26 0.00 -1.25 0.00 0.00 55.69 54.81 3h5x s MET 430 Cb -0.10 0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.74 3h5x s MET 430 CO 0.32 -0.07 0.86 0.42 -0.65 0.00 0.00 175.02 175.91 3h5x s ILE 431 N -0.18 4.85 0.57 10.11 1.01 -1.26 -4.36 121.20 131.94 3h5x s ILE 431 Ca -0.03 1.70 -0.20 0.00 0.00 0.00 0.00 60.65 62.12 3h5x s ILE 431 Cb -0.03 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3h5x s ILE 431 CO 0.01 0.00 1.26 -2.84 0.00 0.00 0.00 174.94 173.38 3h5x s PRO 432 N 2.24 3.04 0.26 2.79 0.02 -1.26 -4.96 135.00 137.14 3h5x s PRO 432 Ca 0.39 1.99 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 3h5x s PRO 432 Cb -0.17 -2.07 -0.10 0.00 0.02 0.00 0.00 34.50 32.18 3h5x s PRO 432 CO 0.12 -1.19 1.38 -1.01 -0.33 0.00 0.00 177.00 175.97 3h5x s HIS 433 N -1.46 3.08 0.64 6.54 3.76 -1.26 -4.97 115.29 121.62 3h5x s HIS 433 Ca 0.75 1.17 -0.18 0.00 -0.15 0.00 0.00 55.06 56.65 3h5x s HIS 433 Cb -0.35 -3.73 -0.01 0.00 1.11 0.00 0.00 32.58 29.60 3h5x s HIS 433 CO 0.39 -2.28 1.30 -1.54 -0.85 0.00 0.00 174.74 171.76 3h5x s SER 434 N 0.14 4.66 0.07 1.40 1.04 -1.26 -5.03 113.70 114.71 3h5x s SER 434 Ca 0.56 2.65 0.07 0.00 0.48 0.00 0.00 55.95 59.70 3h5x s SER 434 Cb -0.40 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.07 3h5x s SER 434 CO 0.45 -1.97 -0.18 -1.10 0.98 0.00 0.00 173.24 171.42 3h5x s GLN 435 N -3.33 1.06 0.15 4.02 -1.52 -1.26 -5.14 119.66 113.63 3h5x s GLN 435 Ca 0.82 -0.97 -0.14 0.00 -1.95 0.00 0.00 55.36 53.12 3h5x s GLN 435 Cb -0.38 -1.17 -0.07 0.00 -0.22 0.00 0.00 33.01 31.17 3h5x s GLN 435 CO 0.41 0.28 0.54 1.03 -0.25 0.00 0.00 175.29 177.30 3h5x s ARG 436 N -1.54 3.95 0.40 2.91 0.52 -1.26 -4.96 118.95 118.97 3h5x s ARG 436 Ca 0.03 0.46 0.23 0.00 -0.52 0.00 0.00 55.73 55.93 3h5x s ARG 436 Cb -0.09 -2.91 1.27 0.00 0.52 0.00 0.00 34.95 33.74 3h5x s ARG 436 CO 0.03 0.47 1.66 -1.35 0.02 0.00 0.00 175.30 176.12 3h5x h PRO 437 N 3.47 0.20 0.00 3.54 0.11 -1.98 1.50 132.00 138.83 3h5x h PRO 437 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3h5x h PRO 437 Cb 1.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3h5x h PRO 437 CO 0.66 0.13 -0.04 0.97 -0.21 0.00 0.00 178.00 179.51 3h5x h ILE 438 N 0.20 0.82 0.00 4.15 2.10 -2.02 -0.34 117.51 122.43 3h5x h ILE 438 Ca 0.75 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 66.53 3h5x h ILE 438 Cb 2.10 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 38.93 3h5x h ILE 438 CO -0.46 0.04 -0.38 1.56 -1.08 0.00 0.00 178.15 177.83 3h5x h GLN 439 N 0.00 0.00 -0.02 2.19 4.20 0.17 -3.29 115.11 118.36 3h5x h GLN 439 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h5x h GLN 439 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3h5x h GLN 439 CO 0.01 0.00 -0.24 1.28 -0.67 0.00 0.00 178.83 179.20 3h5x n LEU 440 N -2.41 2.46 -0.25 1.46 4.77 -0.20 -4.45 117.00 118.37 3h5x n LEU 440 Ca 0.04 -0.86 -0.03 0.00 -0.03 0.00 0.00 56.01 55.13 3h5x n LEU 440 Cb 0.47 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.64 3h5x n LEU 440 CO 0.35 0.43 1.14 0.24 -1.33 0.00 0.00 177.39 178.22 3h5x h MET 441 N 3.48 0.83 -0.35 3.23 2.86 -1.47 -1.97 114.93 121.54 3h5x h MET 441 Ca 0.00 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3h5x h MET 441 Cb 0.86 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 3h5x h MET 441 CO 0.00 0.55 0.13 0.77 1.06 0.00 0.00 176.91 179.42 3h5x h SER 442 N 0.85 0.15 -0.36 1.22 0.02 -1.83 0.49 113.55 114.09 3h5x h SER 442 Ca 0.29 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 3h5x h SER 442 Cb 0.03 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3h5x h SER 442 CO -0.11 0.12 0.08 0.25 -1.14 0.00 0.00 176.83 176.03 3h5x h LEU 443 N 0.28 0.56 -0.74 5.07 5.85 -1.75 -0.14 115.31 124.45 3h5x h LEU 443 Ca 0.15 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 3h5x h LEU 443 Cb 0.12 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3h5x h LEU 443 CO -0.15 0.66 0.15 -0.07 -0.34 0.00 0.00 178.44 178.69 3h5x h LEU 444 N 0.44 1.06 -0.45 2.25 3.38 -1.23 -1.86 115.31 118.91 3h5x h LEU 444 Ca 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3h5x h LEU 444 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3h5x h LEU 444 CO 0.00 1.02 0.30 1.23 0.09 0.00 0.00 178.44 181.08 3h5x h GLY 445 N 1.07 0.63 0.96 0.83 0.00 -0.62 0.91 103.07 106.84 3h5x h GLY 445 Ca 0.22 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3h5x h GLY 445 CO 0.00 0.23 0.55 0.83 0.00 0.00 0.00 176.54 178.15 3h5x h GLU 446 N 0.60 1.07 -0.29 4.80 4.39 -0.74 -2.56 114.58 121.85 3h5x h GLU 446 Ca 0.16 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 3h5x h GLU 446 Cb -0.07 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.33 3h5x h GLU 446 CO -0.04 0.71 -0.27 0.00 -1.16 0.00 0.00 179.01 178.25 3h5x h ALA 447 N 1.32 0.99 0.00 3.43 0.00 -0.79 -2.88 119.26 121.33 3h5x h ALA 447 Ca 0.32 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3h5x h ALA 447 Cb -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3h5x h ALA 447 CO -0.09 0.60 -0.06 0.00 0.00 0.00 0.00 179.25 179.70 3h5x h ALA 448 N 1.20 1.85 0.00 0.00 0.00 -0.42 -1.76 119.26 120.13 3h5x h ALA 448 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h5x h ALA 448 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h5x h ALA 448 CO 0.06 0.08 0.00 -0.07 0.00 0.00 0.00 179.25 179.32 3h5x h LEU 449 N 0.00 0.00 -0.92 0.00 3.38 -1.36 -1.92 115.31 114.49 3h5x h LEU 449 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h5x h LEU 449 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3h5x h LEU 449 CO 0.01 0.00 -0.16 1.41 0.09 0.00 0.00 178.44 179.79 3h5x n HIS 450 N -3.06 0.00 0.00 1.13 8.25 -0.66 -5.02 115.22 115.86 3h5x n HIS 450 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3h5x n HIS 450 Cb 0.11 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.17 3h5x n HIS 450 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h5x n GLY 451 N 1.29 0.61 0.13 -1.41 0.00 -0.72 -4.61 105.19 100.47 3h5x n GLY 451 Ca 0.14 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 3h5x n GLY 451 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h5x h PRO 452 N 0.00 0.22 0.08 1.61 0.11 -1.92 -1.69 132.00 130.40 3h5x h PRO 452 Ca 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.11 3h5x h PRO 452 Cb 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 3h5x h PRO 452 CO 0.00 0.14 -0.12 0.00 -0.21 0.00 0.00 178.00 177.81 3h5x h ALA 453 N 1.17 -0.20 -0.48 -0.75 0.00 -1.98 -1.08 119.26 115.94 3h5x h ALA 453 Ca 0.12 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3h5x h ALA 453 Cb 0.08 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3h5x h ALA 453 CO -0.12 -0.64 -0.13 0.35 0.00 0.00 0.00 179.25 178.71 3h5x h PHE 454 N -0.25 1.01 -0.71 0.00 3.57 -1.80 -2.60 116.94 116.15 3h5x h PHE 454 Ca 0.02 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.32 3h5x h PHE 454 Cb 0.26 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3h5x h PHE 454 CO -0.14 0.97 0.46 -0.92 -2.23 0.00 0.00 178.31 176.45 3h5x h TYR 455 N 0.80 0.91 -0.45 0.41 3.20 -1.02 -1.75 116.97 119.07 3h5x h TYR 455 Ca 0.12 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 3h5x h TYR 455 Cb 0.66 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3h5x h TYR 455 CO 0.04 0.58 -0.17 1.03 -1.64 0.00 0.00 178.16 178.00 3h5x h SER 456 N 0.97 0.94 -0.31 -2.11 0.87 -1.01 0.55 113.55 113.44 3h5x h SER 456 Ca 0.26 -0.39 0.06 0.00 -1.23 0.00 0.00 61.79 60.49 3h5x h SER 456 Cb -0.09 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 61.56 3h5x h SER 456 CO -0.05 1.11 -0.00 0.50 -0.53 0.00 0.00 176.83 177.85 3h5x h LYS 457 N 0.75 0.08 -0.23 2.24 3.64 -1.02 -2.00 116.57 120.03 3h5x h LYS 457 Ca 0.11 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 3h5x h LYS 457 Cb 0.74 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3h5x h LYS 457 CO 0.06 0.05 -0.50 0.82 -2.27 0.00 0.00 179.45 177.61 3h5x h ILE 458 N 0.09 1.30 -0.99 2.00 1.08 -1.23 -3.02 117.51 116.74 3h5x h ILE 458 Ca 0.15 -1.71 0.08 0.00 -0.39 0.00 0.00 64.86 62.99 3h5x h ILE 458 Cb 0.20 1.78 -0.07 0.00 -3.07 0.00 0.00 36.82 35.67 3h5x h ILE 458 CO -0.26 0.54 0.63 0.28 -0.69 0.00 0.00 178.15 178.66 3h5x h SER 459 N 0.48 1.00 -0.73 1.72 0.02 -0.77 -0.92 113.55 114.35 3h5x h SER 459 Ca 0.00 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 3h5x h SER 459 Cb 1.11 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 3h5x h SER 459 CO 0.11 0.62 0.21 0.50 -1.14 0.00 0.00 176.83 177.13 3h5x h LYS 460 N 1.13 1.14 -0.26 3.45 3.64 -1.33 -1.47 116.57 122.86 3h5x h LYS 460 Ca 0.44 -0.26 -0.18 0.00 -1.27 0.00 0.00 60.65 59.38 3h5x h LYS 460 Cb 0.23 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3h5x h LYS 460 CO -0.19 0.98 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.35 3h5x h LEU 461 N 1.09 0.89 -0.01 5.20 3.38 -1.24 -1.93 115.31 122.68 3h5x h LEU 461 Ca 0.23 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3h5x h LEU 461 Cb 0.33 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3h5x h LEU 461 CO -0.00 1.26 0.00 0.58 0.09 0.00 0.00 178.44 180.37 3h5x h VAL 462 N 0.61 1.20 0.81 1.22 2.07 -1.04 -2.85 116.25 118.28 3h5x h VAL 462 Ca 0.01 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3h5x h VAL 462 Cb 1.15 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 3h5x h VAL 462 CO 0.12 0.16 -0.50 0.40 0.02 0.00 0.00 177.57 177.76 3h5x h ILE 463 N -0.22 0.00 -1.13 4.57 2.04 -1.31 -2.49 117.51 118.96 3h5x h ILE 463 Ca 0.00 0.00 0.44 0.00 1.00 0.00 0.00 64.86 66.30 3h5x h ILE 463 Cb 0.25 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.17 3h5x h ILE 463 CO 0.00 0.00 0.66 0.00 0.00 0.00 0.00 178.15 178.81 3h5x n ALA 464 N -2.74 1.15 1.75 1.87 0.00 -0.73 -5.11 120.51 116.70 3h5x n ALA 464 Ca -0.15 0.97 0.00 0.00 0.00 0.00 0.00 53.44 54.26 3h5x n ALA 464 Cb 0.51 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3h5x n ALA 464 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h5x n GLU 465 N -5.08 0.89 -2.16 0.00 1.02 -0.94 -5.11 120.64 109.26 3h5x n GLU 465 Ca 0.39 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.24 3h5x n GLU 465 Cb 1.39 -1.02 0.02 0.00 -0.02 0.00 0.00 31.44 31.81 3h5x n GLU 465 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h5x s ASP 472 N -1.07 5.99 -0.29 1.62 1.11 -1.26 -4.94 116.67 117.84 3h5x s ASP 472 Ca 0.00 1.12 -0.19 0.00 0.18 0.00 0.00 52.55 53.66 3h5x s ASP 472 Cb 0.00 -2.19 0.15 0.00 1.07 0.00 0.00 42.92 41.95 3h5x s ASP 472 CO 0.00 -0.91 1.05 -0.36 1.18 0.00 0.00 175.17 176.12 3h5x s PHE 473 N -3.07 -0.47 -0.10 4.23 0.08 -1.26 -5.10 117.98 112.29 3h5x s PHE 473 Ca 0.53 1.00 -0.29 0.00 0.12 0.00 0.00 56.93 58.29 3h5x s PHE 473 Cb -0.11 0.33 -0.01 0.00 -0.57 0.00 0.00 43.02 42.66 3h5x s PHE 473 CO 0.50 -0.23 0.98 -0.47 -0.10 0.00 0.00 175.22 175.90 3h5x s TYR 474 N 0.93 3.52 -0.24 0.36 5.04 -1.26 -5.03 117.35 120.68 3h5x s TYR 474 Ca -0.05 1.57 -0.13 0.00 -2.44 0.00 0.00 57.07 56.03 3h5x s TYR 474 Cb -0.04 -3.16 -0.05 0.00 0.35 0.00 0.00 41.96 39.07 3h5x s TYR 474 CO -0.12 -0.19 0.25 0.08 -1.34 0.00 0.00 175.55 174.23 3h5x s VAL 475 N 1.88 5.29 0.88 3.14 1.01 -1.26 -5.07 120.40 126.27 3h5x s VAL 475 Ca 0.48 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.72 3h5x s VAL 475 Cb -0.18 -3.59 0.13 0.00 0.00 0.00 0.00 36.38 32.74 3h5x s VAL 475 CO 0.19 0.29 1.17 -2.84 0.00 0.00 0.00 175.10 173.90 3h5x s PRO 476 N 1.31 1.18 0.72 2.72 0.02 -1.26 -5.00 135.00 134.69 3h5x s PRO 476 Ca 0.12 1.62 -0.11 0.00 0.02 0.00 0.00 61.00 62.64 3h5x s PRO 476 Cb -0.14 -1.74 0.03 0.00 0.02 0.00 0.00 34.50 32.66 3h5x s PRO 476 CO 0.07 -2.53 1.09 1.03 -0.33 0.00 0.00 177.00 176.33 3h5x s ARG 477 N -4.50 2.71 0.23 5.54 0.52 -1.26 -4.91 118.95 117.28 3h5x s ARG 477 Ca 0.69 0.53 -0.07 0.00 -0.52 0.00 0.00 55.73 56.36 3h5x s ARG 477 Cb -0.25 -2.00 0.31 0.00 0.52 0.00 0.00 34.95 33.54 3h5x s ARG 477 CO 0.56 -1.16 1.82 0.37 0.02 0.00 0.00 175.30 176.91 3h5x h GLN 478 N -0.75 0.79 0.04 3.54 -0.00 -1.96 -2.44 115.11 114.34 3h5x h GLN 478 Ca -0.45 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.15 3h5x h GLN 478 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.56 3h5x h GLN 478 CO 0.62 0.52 -0.02 0.93 0.00 0.00 0.00 178.83 180.88 3h5x h GLU 479 N 0.81 -0.06 -0.30 1.69 3.07 -1.95 0.15 114.58 118.00 3h5x h GLU 479 Ca 0.35 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 3h5x h GLU 479 Cb 0.23 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3h5x h GLU 479 CO -0.20 0.27 0.15 -1.35 -1.40 0.00 0.00 179.01 176.48 3h5x h PRO 480 N -0.39 0.40 -0.21 2.33 0.11 -1.96 -1.46 132.00 130.82 3h5x h PRO 480 Ca -0.01 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 3h5x h PRO 480 Cb 0.35 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3h5x h PRO 480 CO 0.01 0.31 -0.10 1.98 -0.21 0.00 0.00 178.00 180.00 3h5x h MET 481 N 0.41 0.44 -0.46 1.05 4.05 -1.04 -1.24 114.93 118.15 3h5x h MET 481 Ca 0.11 -0.19 0.08 0.00 -0.28 0.00 0.00 59.70 59.41 3h5x h MET 481 Cb 0.04 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.76 3h5x h MET 481 CO -0.02 0.72 0.06 0.35 0.23 0.00 0.00 176.91 178.26 3h5x h PHE 482 N 0.15 0.09 -0.24 1.39 3.04 -0.52 -0.24 116.94 120.61 3h5x h PHE 482 Ca 0.05 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.91 3h5x h PHE 482 Cb 0.59 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 3h5x h PHE 482 CO 0.06 -0.03 -0.34 0.00 -2.02 0.00 0.00 178.31 175.98 3h5x h ARG 483 N 0.19 0.52 -0.32 1.11 3.08 -1.13 -0.19 114.38 117.64 3h5x h ARG 483 Ca 0.23 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3h5x h ARG 483 Cb 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3h5x h ARG 483 CO -0.32 0.79 -0.00 2.35 -1.07 0.00 0.00 179.97 181.71 3h5x h TRP 484 N 0.44 0.61 -0.28 3.04 7.01 -0.86 -0.47 115.95 125.44 3h5x h TRP 484 Ca 0.05 -0.11 0.01 0.00 2.11 0.00 0.00 58.89 60.95 3h5x h TRP 484 Cb 0.80 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 3h5x h TRP 484 CO 0.03 0.69 0.17 1.98 -2.79 0.00 0.00 178.44 178.52 3h5x h MET 485 N 0.36 0.35 -0.08 2.65 4.05 -0.76 -1.32 114.93 120.17 3h5x h MET 485 Ca 0.09 -0.02 -0.23 0.00 -0.28 0.00 0.00 59.70 59.26 3h5x h MET 485 Cb 0.45 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.18 3h5x h MET 485 CO 0.02 0.23 -0.86 0.00 0.23 0.00 0.00 176.91 176.53 3h5x h ARG 486 N 0.36 0.66 0.00 0.39 2.47 -0.95 -3.39 114.38 113.92 3h5x h ARG 486 Ca 0.11 -0.60 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 3h5x h ARG 486 Cb -0.02 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 3h5x h ARG 486 CO -0.04 1.21 -0.01 1.19 0.56 0.00 0.00 179.97 182.89 3h5x n PHE 487 N -3.87 0.00 0.00 3.04 3.72 -0.19 -5.07 117.46 115.08 3h5x n PHE 487 Ca -0.08 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3h5x n PHE 487 Cb 0.79 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 3h5x n PHE 487 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16