#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uml s PRO 5 N 0.00 4.17 0.46 -2.82 0.02 -1.26 -4.90 135.00 130.68 1uml s PRO 5 Ca 0.00 2.47 0.16 0.00 0.02 0.00 0.00 61.00 63.65 1uml s PRO 5 Cb 0.00 -3.11 1.13 0.00 0.02 0.00 0.00 34.50 32.54 1uml s PRO 5 CO 0.00 -0.65 2.01 0.00 -0.33 0.00 0.00 177.00 178.03 1uml h ALA 6 N 6.44 2.10 -2.82 -1.55 0.00 -1.92 -3.38 119.26 118.13 1uml h ALA 6 Ca -0.43 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.02 1uml h ALA 6 Cb 1.21 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.55 1uml h ALA 6 CO 0.91 -0.21 -0.73 0.12 0.00 0.00 0.00 179.25 179.34 1uml s PHE 7 N -5.28 0.10 -0.48 0.00 5.36 -1.26 -5.00 117.98 111.43 1uml s PHE 7 Ca -0.07 -0.38 -0.00 0.00 -0.96 0.00 0.00 56.93 55.52 1uml s PHE 7 Cb 0.19 -0.68 0.39 0.00 -0.34 0.00 0.00 43.02 42.59 1uml s PHE 7 CO 0.73 -0.65 1.95 -0.25 -1.46 0.00 0.00 175.22 175.55 1uml n ASP 8 N 5.28 6.28 -4.48 6.13 10.43 -1.26 -4.88 116.55 134.05 1uml n ASP 8 Ca -0.06 -3.42 -0.23 0.00 2.57 0.00 0.00 54.79 53.64 1uml n ASP 8 Cb 0.47 -0.95 -0.10 0.00 1.84 0.00 0.00 41.12 42.37 1uml n ASP 8 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1uml s LYS 9 N -2.87 1.68 0.74 -1.24 -0.14 -1.26 -5.12 119.74 111.52 1uml s LYS 9 Ca 0.49 -1.87 -0.15 0.00 -1.36 0.00 0.00 55.97 53.08 1uml s LYS 9 Cb 0.39 -1.33 0.04 0.00 -1.68 0.00 0.00 37.83 35.25 1uml s LYS 9 CO 0.02 0.04 1.23 -1.25 -0.76 0.00 0.00 175.35 174.62 1uml s PRO 10 N -3.71 2.04 0.06 -1.68 0.04 -1.26 -4.94 135.00 125.55 1uml s PRO 10 Ca 0.32 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.24 1uml s PRO 10 Cb 0.04 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1uml s PRO 10 CO 0.14 -1.93 -0.11 0.15 0.04 0.00 0.00 177.00 175.30 1uml s LYS 11 N -3.86 0.67 -0.10 4.56 1.02 -0.67 -4.94 119.74 116.43 1uml s LYS 11 Ca 0.76 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 55.84 1uml s LYS 11 Cb -0.31 -0.53 -0.04 0.00 -0.52 0.00 0.00 37.83 36.43 1uml s LYS 11 CO 0.46 0.11 0.07 0.08 -0.92 0.00 0.00 175.35 175.15 1uml s VAL 12 N -1.42 4.91 -0.03 3.17 1.01 -1.26 -1.14 120.40 125.63 1uml s VAL 12 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1uml s VAL 12 Cb -0.09 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1uml s VAL 12 CO 0.01 0.60 -0.05 -0.70 0.00 0.00 0.00 175.10 174.96 1uml s GLU 13 N -1.00 0.74 0.00 2.72 2.12 -0.37 -4.76 118.70 118.14 1uml s GLU 13 Ca 0.15 -0.12 0.06 0.00 0.36 0.00 0.00 54.97 55.41 1uml s GLU 13 Cb -0.12 -0.74 -0.04 0.00 0.26 0.00 0.00 34.13 33.49 1uml s GLU 13 CO 0.04 -0.03 0.34 1.28 -0.54 0.00 0.00 175.26 176.35 1uml n LEU 14 N 3.79 0.53 -3.47 2.70 4.77 -1.26 -1.00 117.00 123.06 1uml n LEU 14 Ca -0.23 -0.60 -0.29 0.00 -0.03 0.00 0.00 56.01 54.87 1uml n LEU 14 Cb 0.52 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 1uml n LEU 14 CO 0.24 0.12 -0.31 -2.28 -1.33 0.00 0.00 177.39 173.83 1uml s HIS 15 N -1.38 0.87 -0.16 -1.77 2.46 -1.26 -4.66 115.29 109.39 1uml s HIS 15 Ca 0.03 -1.79 -0.14 0.00 0.47 0.00 0.00 55.06 53.64 1uml s HIS 15 Cb 0.05 -0.99 0.05 0.00 -0.13 0.00 0.00 32.58 31.55 1uml s HIS 15 CO 0.22 -0.82 0.43 0.54 -2.47 0.00 0.00 174.74 172.63 1uml s VAL 16 N 0.86 -0.01 -0.18 0.89 0.11 -1.26 -2.28 120.40 118.55 1uml s VAL 16 Ca 0.20 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.11 1uml s VAL 16 Cb -0.19 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1uml s VAL 16 CO -0.02 0.01 0.40 -1.00 -3.33 0.00 0.00 175.10 171.16 1uml s HIS 17 N 0.54 3.41 0.14 1.54 3.76 -0.13 -0.28 115.29 124.27 1uml s HIS 17 Ca -0.03 0.67 -0.17 0.00 -0.15 0.00 0.00 55.06 55.39 1uml s HIS 17 Cb -0.04 -2.51 -0.01 0.00 1.11 0.00 0.00 32.58 31.13 1uml s HIS 17 CO -0.03 0.06 1.76 1.25 -0.85 0.00 0.00 174.74 176.93 1uml h LEU 18 N 7.33 0.46 0.00 0.89 5.85 -1.33 -1.48 115.31 127.03 1uml h LEU 18 Ca -0.38 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1uml h LEU 18 Cb 1.16 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1uml h LEU 18 CO 0.73 0.39 0.00 -0.90 -0.34 0.00 0.00 178.44 178.33 1uml n ASP 19 N -4.77 0.00 -0.83 1.25 3.85 -1.26 -1.06 116.55 113.73 1uml n ASP 19 Ca -0.00 -0.12 0.02 0.00 -0.71 0.00 0.00 54.79 53.98 1uml n ASP 19 Cb 0.07 -0.17 0.20 0.00 -1.35 0.00 0.00 41.12 39.87 1uml n ASP 19 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1uml n GLY 20 N -0.16 4.80 2.54 6.12 0.00 -0.58 -4.74 105.19 113.17 1uml n GLY 20 Ca 0.08 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 1uml n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uml n ALA 21 N -1.06 0.15 -2.46 4.61 0.00 -0.22 -1.08 120.51 120.45 1uml n ALA 21 Ca 0.26 -2.15 -0.31 0.00 0.00 0.00 0.00 53.44 51.23 1uml n ALA 21 Cb 0.88 -1.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.10 1uml n ALA 21 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1uml s ILE 22 N -0.48 2.86 0.05 0.00 1.01 -1.26 -4.70 121.20 118.68 1uml s ILE 22 Ca 0.30 -1.04 -0.28 0.00 0.00 0.00 0.00 60.65 59.63 1uml s ILE 22 Cb 0.28 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 1uml s ILE 22 CO -0.11 0.42 0.89 -0.54 0.00 0.00 0.00 174.94 175.60 1uml s LYS 23 N -1.21 4.58 0.28 2.79 1.02 -1.26 -4.74 119.74 121.20 1uml s LYS 23 Ca 0.14 1.28 -0.07 0.00 0.02 0.00 0.00 55.97 57.34 1uml s LYS 23 Cb -0.11 -3.40 0.49 0.00 -0.52 0.00 0.00 37.83 34.30 1uml s LYS 23 CO 0.04 0.16 1.57 -1.35 -0.92 0.00 0.00 175.35 174.84 1uml h PRO 24 N 6.01 0.00 -1.00 -1.68 0.11 -1.99 0.77 132.00 134.22 1uml h PRO 24 Ca -0.43 -0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.88 1uml h PRO 24 Cb 1.21 -0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 1uml h PRO 24 CO 0.73 0.00 0.61 0.93 -0.21 0.00 0.00 178.00 180.06 1uml h GLU 25 N 0.00 0.71 0.00 1.05 5.08 -1.92 0.52 114.58 120.02 1uml h GLU 25 Ca 0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1uml h GLU 25 Cb 0.80 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1uml h GLU 25 CO -0.97 0.47 -0.27 0.25 -1.00 0.00 0.00 179.01 177.48 1uml n THR 26 N -4.77 0.32 -0.03 1.13 -2.24 0.24 -1.66 114.28 107.26 1uml n THR 26 Ca 0.24 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 1uml n THR 26 Cb 0.60 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.43 1uml n THR 26 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1uml h ILE 27 N 0.00 1.46 -0.65 2.28 2.04 -0.59 -2.91 117.51 119.14 1uml h ILE 27 Ca 0.00 -1.54 0.13 0.00 1.00 0.00 0.00 64.86 64.45 1uml h ILE 27 Cb 0.66 2.38 -0.10 0.00 -0.74 0.00 0.00 36.82 39.02 1uml h ILE 27 CO 0.00 0.42 0.13 -0.07 0.00 0.00 0.00 178.15 178.63 1uml h LEU 28 N -0.40 -0.03 -0.76 1.44 3.38 -1.42 0.56 115.31 118.09 1uml h LEU 28 Ca -0.00 0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.23 1uml h LEU 28 Cb 0.75 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 1uml h LEU 28 CO 0.03 -0.02 0.33 0.22 0.09 0.00 0.00 178.44 179.08 1uml h TYR 29 N 0.25 0.56 0.00 1.13 5.03 -1.37 -0.79 116.97 121.78 1uml h TYR 29 Ca 0.35 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.70 1uml h TYR 29 Cb 0.56 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.71 1uml h TYR 29 CO -0.27 0.10 -0.45 0.66 -1.32 0.00 0.00 178.16 176.88 1uml n TYR 30 N -4.97 0.37 0.18 -3.82 4.01 -0.69 -2.27 117.16 109.97 1uml n TYR 30 Ca 0.14 0.11 -0.08 0.00 -0.16 0.00 0.00 57.90 57.91 1uml n TYR 30 Cb 0.40 -0.55 -0.04 0.00 -0.31 0.00 0.00 39.34 38.84 1uml n TYR 30 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1uml h GLY 31 N 4.71 -0.52 -0.19 2.72 0.00 0.15 -2.74 103.07 107.21 1uml h GLY 31 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.54 1uml h GLY 31 CO 0.00 -0.19 -0.12 0.50 0.00 0.00 0.00 176.54 176.74 1uml h LYS 32 N -0.78 -0.01 0.00 4.80 1.57 -1.42 0.28 116.57 121.02 1uml h LYS 32 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1uml h LYS 32 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1uml h LYS 32 CO 0.08 -0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.83 1uml n ARG 33 N -3.43 0.06 -0.01 3.15 0.00 -0.96 -1.98 116.66 113.49 1uml n ARG 33 Ca 0.00 0.29 0.01 0.00 -0.00 0.00 0.00 57.85 58.15 1uml n ARG 33 Cb 0.05 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 30.98 1uml n ARG 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1uml n ARG 34 N -1.36 0.95 0.00 -0.14 1.74 -1.03 -5.04 116.66 111.78 1uml n ARG 34 Ca 0.02 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1uml n ARG 34 Cb 0.06 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1uml n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uml n GLY 35 N 2.42 1.12 0.25 -0.13 0.00 0.03 -5.02 105.19 103.85 1uml n GLY 35 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1uml n GLY 35 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1uml h ILE 36 N 0.00 0.57 -4.33 -0.61 2.04 -1.67 -3.47 117.51 110.04 1uml h ILE 36 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1uml h ILE 36 Cb 0.00 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1uml h ILE 36 CO 0.00 0.04 -0.55 0.00 0.00 0.00 0.00 178.15 177.64 1uml n ALA 37 N -2.66 -1.55 -1.66 1.87 0.00 -1.22 -5.03 120.51 110.27 1uml n ALA 37 Ca 0.11 0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 1uml n ALA 37 Cb 0.38 -1.05 0.19 0.00 0.00 0.00 0.00 19.45 18.96 1uml n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1uml s LEU 38 N -0.33 2.08 0.00 0.00 2.01 -1.26 -4.92 118.68 116.26 1uml s LEU 38 Ca 0.00 0.48 0.00 0.00 0.01 0.00 0.00 54.13 54.62 1uml s LEU 38 Cb 0.00 -2.50 0.00 0.00 0.01 0.00 0.00 46.19 43.70 1uml s LEU 38 CO 0.00 -3.03 0.76 -0.81 1.01 0.00 0.00 176.35 174.28 1uml n PRO 39 N -4.00 0.93 -3.81 1.29 -0.04 -1.26 -4.82 135.00 123.29 1uml n PRO 39 Ca 0.13 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.57 1uml n PRO 39 Cb 0.60 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1uml n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uml s ALA 40 N -0.31 -1.76 0.00 0.55 0.00 -1.26 -4.95 121.76 114.03 1uml s ALA 40 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1uml s ALA 40 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1uml s ALA 40 CO 0.00 -1.06 0.75 -3.47 0.00 0.00 0.00 175.76 171.97 1uml n ASP 41 N -0.84 0.00 -4.16 0.00 2.03 -1.26 -5.01 116.55 107.31 1uml n ASP 41 Ca -0.04 -1.55 -0.23 0.00 0.52 0.00 0.00 54.79 53.49 1uml n ASP 41 Cb 0.60 -0.11 -0.15 0.00 -0.72 0.00 0.00 41.12 40.75 1uml n ASP 41 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1uml s THR 42 N 0.00 1.30 0.31 5.18 -1.32 -1.26 -5.05 115.64 114.81 1uml s THR 42 Ca 0.00 -0.82 0.05 0.00 -1.21 0.00 0.00 61.69 59.71 1uml s THR 42 Cb 0.00 -1.11 0.30 0.00 -1.51 0.00 0.00 72.50 70.18 1uml s THR 42 CO 0.00 0.27 1.83 -0.65 -2.21 0.00 0.00 174.62 173.86 1uml h PRO 43 N 5.46 0.80 -0.15 7.08 0.11 -1.96 -1.47 132.00 141.87 1uml h PRO 43 Ca -0.37 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.54 1uml h PRO 43 Cb 1.16 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1uml h PRO 43 CO 0.47 0.53 -0.50 1.05 -0.21 0.00 0.00 178.00 179.34 1uml h GLU 44 N 0.82 0.61 -0.10 1.05 9.09 -1.98 -1.24 114.58 122.83 1uml h GLU 44 Ca 0.51 -0.45 -0.17 0.00 0.05 0.00 0.00 59.36 59.29 1uml h GLU 44 Cb 0.71 0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.88 1uml h GLU 44 CO -0.28 1.07 -0.66 0.93 0.05 0.00 0.00 179.01 180.12 1uml h GLU 45 N 0.27 0.42 -0.47 1.06 4.39 -1.97 -2.53 114.58 115.75 1uml h GLU 45 Ca -0.02 -0.31 0.09 0.00 0.34 0.00 0.00 59.36 59.46 1uml h GLU 45 Cb 1.12 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.75 1uml h GLU 45 CO 0.11 0.94 0.02 1.25 -1.16 0.00 0.00 179.01 180.16 1uml h LEU 46 N 0.30 -0.15 -1.87 1.33 5.85 -1.19 -0.27 115.31 119.30 1uml h LEU 46 Ca -0.02 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1uml h LEU 46 Cb 1.22 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 1uml h LEU 46 CO 0.11 -0.04 -0.13 -0.61 -0.34 0.00 0.00 178.44 177.43 1uml h GLN 47 N 0.14 0.00 -0.35 1.25 4.15 -1.09 0.14 115.11 119.35 1uml h GLN 47 Ca 0.23 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.49 1uml h GLN 47 Cb 0.34 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1uml h GLN 47 CO -0.37 0.13 -0.44 -0.91 -1.93 0.00 0.00 178.83 175.31 1uml h ASN 48 N 0.00 1.00 0.62 -0.69 -0.26 -0.64 -2.35 115.58 113.26 1uml h ASN 48 Ca -0.00 -0.49 -0.24 0.00 -0.56 0.00 0.00 56.30 55.01 1uml h ASN 48 Cb 0.33 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 37.27 1uml h ASN 48 CO 0.02 1.29 -1.53 0.16 -1.06 0.00 0.00 177.43 176.30 1uml h ILE 49 N 0.73 0.74 -0.62 2.81 -2.65 -1.26 -3.34 117.51 113.93 1uml h ILE 49 Ca 0.04 -2.44 -0.29 0.00 1.03 0.00 0.00 64.86 63.20 1uml h ILE 49 Cb 1.04 2.28 -0.17 0.00 -2.05 0.00 0.00 36.82 37.92 1uml h ILE 49 CO 0.10 0.42 0.37 2.30 0.03 0.00 0.00 178.15 181.38 1uml n ILE 50 N -3.00 2.36 -3.68 0.16 -5.35 0.03 -4.81 119.36 105.07 1uml n ILE 50 Ca -0.13 -1.21 -0.09 0.00 -0.27 0.00 0.00 62.75 61.05 1uml n ILE 50 Cb 0.96 -0.61 -0.10 0.00 -1.74 0.00 0.00 39.64 38.15 1uml n ILE 50 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1uml s GLY 51 N -0.51 -0.41 0.26 3.28 0.00 -0.88 -4.46 107.32 104.60 1uml s GLY 51 Ca 0.37 1.75 0.02 0.00 0.00 0.00 0.00 44.72 46.86 1uml s GLY 51 CO 0.08 1.97 0.43 -3.16 0.00 0.00 0.00 173.10 172.42 1uml s MET 52 N 1.64 3.48 0.00 2.90 0.23 0.20 -4.73 119.30 123.02 1uml s MET 52 Ca -0.09 -0.48 0.00 0.00 -1.03 0.00 0.00 55.69 54.09 1uml s MET 52 Cb -0.08 -2.80 0.00 0.00 -1.53 0.00 0.00 34.83 30.42 1uml s MET 52 CO -0.15 0.32 0.00 -0.40 -2.03 0.00 0.00 175.02 172.77 1uml n ASP 53 N -1.31 0.00 -3.99 -1.18 3.85 -1.26 -4.47 116.55 108.20 1uml n ASP 53 Ca -0.06 -0.66 -0.08 0.00 -0.71 0.00 0.00 54.79 53.27 1uml n ASP 53 Cb 0.56 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.23 1uml n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1uml s LYS 54 N 0.00 0.56 0.67 0.11 -2.85 -1.26 -5.07 119.74 111.90 1uml s LYS 54 Ca 0.00 -0.90 -0.17 0.00 -1.00 0.00 0.00 55.97 53.90 1uml s LYS 54 Cb 0.00 0.21 -0.05 0.00 -2.06 0.00 0.00 37.83 35.93 1uml s LYS 54 CO 0.00 -0.13 0.65 -2.30 0.10 0.00 0.00 175.35 173.68 1uml n PRO 55 N 0.64 0.47 -4.06 1.78 -0.02 -1.26 -4.97 135.00 127.57 1uml n PRO 55 Ca -0.18 0.20 -0.08 0.00 -2.02 0.00 0.00 63.50 61.42 1uml n PRO 55 Cb 0.59 -1.90 -0.09 0.00 -0.02 0.00 0.00 33.50 32.07 1uml n PRO 55 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uml s LEU 56 N -0.65 2.06 0.99 2.45 1.43 -1.19 -5.05 118.68 118.74 1uml s LEU 56 Ca 0.69 -0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 1uml s LEU 56 Cb -0.38 0.41 0.19 0.00 0.03 0.00 0.00 46.19 46.43 1uml s LEU 56 CO 0.54 -0.67 1.09 0.42 0.23 0.00 0.00 176.35 177.97 1uml s THR 57 N -3.94 2.12 0.13 5.49 -4.23 -1.26 -4.73 115.64 109.21 1uml s THR 57 Ca 0.11 0.04 -0.16 0.00 -1.18 0.00 0.00 61.69 60.50 1uml s THR 57 Cb 0.07 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.38 1uml s THR 57 CO -0.07 -0.05 1.67 0.25 -0.54 0.00 0.00 174.62 175.88 1uml h LEU 58 N -1.89 0.54 -0.82 4.79 5.85 -1.99 -1.11 115.31 120.68 1uml h LEU 58 Ca -0.54 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1uml h LEU 58 Cb 1.33 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1uml h LEU 58 CO 0.57 0.57 0.53 1.55 -0.34 0.00 0.00 178.44 181.31 1uml h PRO 59 N 0.47 1.10 -0.45 5.25 0.13 -1.99 0.13 132.00 136.64 1uml h PRO 59 Ca 0.13 -0.08 0.09 0.00 -0.87 0.00 0.00 66.00 65.27 1uml h PRO 59 Cb 0.20 -0.24 -0.09 0.00 0.13 0.00 0.00 31.00 31.00 1uml h PRO 59 CO -0.01 0.75 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.87 1uml h ASP 60 N 1.12 -0.68 -0.07 1.44 3.32 -1.94 -1.71 116.42 117.89 1uml h ASP 60 Ca 0.30 0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.54 1uml h ASP 60 Cb -0.10 0.38 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1uml h ASP 60 CO -0.06 -0.23 -0.12 0.15 -1.72 0.00 0.00 179.24 177.26 1uml h PHE 61 N -0.10 -0.30 -0.20 4.55 3.57 -0.54 -3.18 116.94 120.74 1uml h PHE 61 Ca 0.22 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 1uml h PHE 61 Cb 0.44 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1uml h PHE 61 CO -0.46 -0.18 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.19 1uml h LEU 62 N -0.17 0.32 -1.93 0.59 3.38 -0.45 -1.69 115.31 115.36 1uml h LEU 62 Ca 0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1uml h LEU 62 Cb 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1uml h LEU 62 CO -0.17 0.52 -0.11 0.00 0.09 0.00 0.00 178.44 178.77 1uml h ALA 63 N 1.52 1.25 -0.77 1.53 0.00 -1.33 -1.04 119.26 120.41 1uml h ALA 63 Ca 0.06 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1uml h ALA 63 Cb 0.49 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1uml h ALA 63 CO 0.03 0.13 0.39 0.87 0.00 0.00 0.00 179.25 180.68 1uml h LYS 64 N 0.00 0.62 -0.64 0.00 6.56 -1.28 -1.30 116.57 120.53 1uml h LYS 64 Ca -0.00 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.47 1uml h LYS 64 Cb 0.33 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 1uml h LYS 64 CO 0.01 0.41 0.10 0.74 -2.06 0.00 0.00 179.45 178.65 1uml h PHE 65 N 0.63 1.13 -0.38 -1.35 -1.00 -1.32 -2.83 116.94 111.83 1uml h PHE 65 Ca 0.39 -0.16 0.11 0.00 2.81 0.00 0.00 57.97 61.12 1uml h PHE 65 Cb 0.45 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1uml h PHE 65 CO -0.10 0.96 0.31 -0.44 -1.61 0.00 0.00 178.31 177.43 1uml h ASP 66 N 0.98 0.00 0.89 2.17 3.32 -0.85 0.85 116.42 123.77 1uml h ASP 66 Ca 0.19 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1uml h ASP 66 Cb 0.44 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1uml h ASP 66 CO 0.01 0.00 -0.43 1.88 -1.72 0.00 0.00 179.24 178.99 1uml h TYR 67 N 0.00 -1.11 0.00 4.55 0.99 -0.99 -3.42 116.97 116.99 1uml h TYR 67 Ca 0.18 -0.03 -0.28 0.00 2.00 0.00 0.00 58.73 60.60 1uml h TYR 67 Cb 0.80 0.37 -0.05 0.00 1.00 0.00 0.00 36.73 38.85 1uml h TYR 67 CO 0.00 -0.69 -2.25 2.48 -0.00 0.00 0.00 178.16 177.70 1uml n TYR 68 N -5.28 0.07 -0.23 4.88 0.18 -0.84 -4.54 117.16 111.40 1uml n TYR 68 Ca -0.15 0.02 0.09 0.00 1.88 0.00 0.00 57.90 59.74 1uml n TYR 68 Cb 0.47 -0.90 0.36 0.00 -0.38 0.00 0.00 39.34 38.88 1uml n TYR 68 CO 0.00 0.00 0.00 0.52 -2.08 0.00 0.00 176.86 175.30 1uml h MET 69 N 0.00 0.72 -0.00 -3.48 2.86 -1.09 -0.27 114.93 113.67 1uml h MET 69 Ca -0.41 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1uml h MET 69 Cb 1.95 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 33.45 1uml h MET 69 CO 0.03 0.48 0.00 -1.35 1.06 0.00 0.00 176.91 177.13 1uml h PRO 70 N 0.75 0.00 0.00 -0.22 0.11 -1.80 -0.93 132.00 129.91 1uml h PRO 70 Ca 0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.48 1uml h PRO 70 Cb 0.45 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1uml h PRO 70 CO -0.15 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 177.62 1uml h ALA 71 N 2.00 0.99 0.00 -0.75 0.00 -1.32 -3.39 119.26 116.78 1uml h ALA 71 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1uml h ALA 71 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1uml h ALA 71 CO -0.00 0.03 -1.54 -0.89 0.00 0.00 0.00 179.25 176.85 1uml n ILE 72 N -3.11 0.53 -1.62 0.00 2.08 -0.96 -4.64 119.36 111.64 1uml n ILE 72 Ca 0.03 -0.15 -0.48 0.00 0.56 0.00 0.00 62.75 62.71 1uml n ILE 72 Cb 0.46 -1.46 -0.04 0.00 -0.75 0.00 0.00 39.64 37.85 1uml n ILE 72 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1uml n ALA 73 N -3.29 0.15 0.00 -1.39 0.00 -0.39 -2.54 120.51 113.04 1uml n ALA 73 Ca -0.19 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1uml n ALA 73 Cb 0.64 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1uml n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uml n GLY 74 N 2.40 2.88 3.65 0.00 0.00 -0.86 -4.90 105.19 108.36 1uml n GLY 74 Ca 0.15 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1uml n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uml h ARG 76 N 9.49 -0.15 0.00 0.00 3.08 -1.94 -2.26 114.38 122.60 1uml h ARG 76 Ca -0.34 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1uml h ARG 76 Cb 1.15 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1uml h ARG 76 CO 0.97 -0.08 0.00 0.38 -1.07 0.00 0.00 179.97 180.17 1uml h ASP 77 N -0.17 0.00 -0.23 7.04 2.03 -1.95 -1.90 116.42 121.24 1uml h ASP 77 Ca -0.02 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.24 1uml h ASP 77 Cb 0.14 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 1uml h ASP 77 CO 0.03 0.00 -0.04 0.00 -1.03 0.00 0.00 179.24 178.19 1uml h ALA 78 N 2.07 0.31 -0.21 4.15 0.00 -1.82 -2.51 119.26 121.26 1uml h ALA 78 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1uml h ALA 78 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1uml h ALA 78 CO 0.00 0.09 -0.02 0.82 0.00 0.00 0.00 179.25 180.13 1uml h ILE 79 N 0.17 1.15 0.11 0.00 2.04 -0.77 -0.33 117.51 119.88 1uml h ILE 79 Ca 0.06 -0.59 -0.28 0.00 1.00 0.00 0.00 64.86 65.06 1uml h ILE 79 Cb 0.49 1.02 0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1uml h ILE 79 CO 0.02 0.19 -1.20 0.50 0.00 0.00 0.00 178.15 177.66 1uml h LYS 80 N 0.30 0.42 -0.44 2.37 3.64 -1.45 -3.15 116.57 118.26 1uml h LYS 80 Ca 0.07 -0.60 -0.12 0.00 -1.27 0.00 0.00 60.65 58.72 1uml h LYS 80 Cb 0.25 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1uml h LYS 80 CO 0.01 1.26 -0.22 -0.09 -2.27 0.00 0.00 179.45 178.14 1uml h ARG 81 N 0.17 0.89 0.00 1.90 2.43 -1.07 -1.37 114.38 117.32 1uml h ARG 81 Ca -0.15 -0.37 -0.08 0.00 -0.81 0.00 0.00 59.98 58.58 1uml h ARG 81 Cb 1.89 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.39 1uml h ARG 81 CO 0.21 1.02 -0.37 -0.84 -1.51 0.00 0.00 179.97 178.48 1uml h ILE 82 N 0.77 1.17 -0.35 1.20 3.07 -1.18 0.22 117.51 122.42 1uml h ILE 82 Ca 0.10 -1.31 -0.13 0.00 1.55 0.00 0.00 64.86 65.08 1uml h ILE 82 Cb 0.76 1.72 -0.01 0.00 -0.27 0.00 0.00 36.82 39.03 1uml h ILE 82 CO 0.06 0.36 -0.29 0.00 -1.05 0.00 0.00 178.15 177.24 1uml h ALA 83 N 1.63 0.51 0.09 0.16 0.00 -1.44 -1.86 119.26 118.36 1uml h ALA 83 Ca -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1uml h ALA 83 Cb 0.69 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1uml h ALA 83 CO 0.05 0.53 -0.20 -0.92 0.00 0.00 0.00 179.25 178.71 1uml h TYR 84 N 0.61 -0.53 0.00 0.00 3.20 -0.96 -2.91 116.97 116.37 1uml h TYR 84 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1uml h TYR 84 Cb 0.86 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1uml h TYR 84 CO 0.06 -0.29 0.00 0.93 -1.64 0.00 0.00 178.16 177.22 1uml h GLU 85 N -0.37 0.00 -0.45 1.82 5.08 -0.59 -2.55 114.58 117.52 1uml h GLU 85 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1uml h GLU 85 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1uml h GLU 85 CO -0.13 0.00 -0.19 0.35 -1.00 0.00 0.00 179.01 178.04 1uml h PHE 86 N 0.00 1.01 -0.35 4.33 3.04 -1.13 -1.52 116.94 122.32 1uml h PHE 86 Ca 0.00 -0.23 -0.07 0.00 3.98 0.00 0.00 57.97 61.65 1uml h PHE 86 Cb 0.42 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 1uml h PHE 86 CO 0.00 1.00 -0.08 0.28 -2.02 0.00 0.00 178.31 177.49 1uml h VAL 87 N 0.78 1.23 -0.23 1.41 2.07 -1.44 -1.85 116.25 118.23 1uml h VAL 87 Ca 0.11 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1uml h VAL 87 Cb 0.73 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1uml h VAL 87 CO 0.06 0.34 0.08 -0.08 0.02 0.00 0.00 177.57 177.98 1uml h GLU 88 N 0.55 0.34 -0.94 1.57 4.81 -1.43 -0.31 114.58 119.17 1uml h GLU 88 Ca 0.10 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1uml h GLU 88 Cb 0.47 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 1uml h GLU 88 CO 0.03 0.41 0.61 0.52 -0.73 0.00 0.00 179.01 179.85 1uml h MET 89 N 0.20 1.04 -0.03 1.92 2.86 -1.16 -2.55 114.93 117.21 1uml h MET 89 Ca 0.07 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 1uml h MET 89 Cb 0.21 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1uml h MET 89 CO -0.00 0.69 -0.69 0.87 1.06 0.00 0.00 176.91 178.83 1uml h LYS 90 N 1.07 0.16 -0.40 1.72 6.56 -1.07 -2.97 116.57 121.65 1uml h LYS 90 Ca 0.41 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.84 1uml h LYS 90 Cb 0.20 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 1uml h LYS 90 CO -0.16 0.79 0.14 0.00 -2.06 0.00 0.00 179.45 178.16 1uml h ALA 91 N 1.17 1.51 0.00 3.86 0.00 -0.68 -1.30 119.26 123.82 1uml h ALA 91 Ca -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1uml h ALA 91 Cb 1.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1uml h ALA 91 CO 0.10 0.38 -0.23 0.87 0.00 0.00 0.00 179.25 180.37 1uml h LYS 92 N 0.56 0.00 0.00 0.00 1.57 -1.33 -2.30 116.57 115.07 1uml h LYS 92 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1uml h LYS 92 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1uml h LYS 92 CO -0.01 0.23 0.00 -0.25 -0.57 0.00 0.00 179.45 178.85 1uml n ASP 93 N -3.92 0.05 0.00 0.86 10.43 -0.52 -4.92 116.55 118.54 1uml n ASP 93 Ca -0.02 0.51 0.00 0.00 2.57 0.00 0.00 54.79 57.85 1uml n ASP 93 Cb 0.31 -0.52 0.00 0.00 1.84 0.00 0.00 41.12 42.75 1uml n ASP 93 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1uml n GLY 94 N 1.31 0.49 3.72 0.44 0.00 -0.87 -4.89 105.19 105.40 1uml n GLY 94 Ca 0.06 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1uml n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uml s VAL 95 N -2.00 5.26 -0.14 1.61 1.01 -1.06 -1.67 120.40 123.41 1uml s VAL 95 Ca 0.00 0.69 0.22 0.00 0.00 0.00 0.00 61.98 62.89 1uml s VAL 95 Cb 0.00 -3.70 -0.23 0.00 0.00 0.00 0.00 36.38 32.46 1uml s VAL 95 CO 0.00 0.36 0.68 1.33 0.00 0.00 0.00 175.10 177.47 1uml n VAL 96 N 3.65 0.19 -3.72 2.92 0.24 -0.29 -4.63 118.33 116.70 1uml n VAL 96 Ca -0.10 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.58 1uml n VAL 96 Cb 0.52 -0.07 -0.13 0.00 -1.47 0.00 0.00 33.84 32.68 1uml n VAL 96 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1uml s TYR 97 N -3.45 -0.32 -0.00 6.34 5.04 -1.23 -1.26 117.35 122.48 1uml s TYR 97 Ca -0.05 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 55.36 1uml s TYR 97 Cb 0.13 -0.00 -0.00 0.00 0.35 0.00 0.00 41.96 42.43 1uml s TYR 97 CO 0.87 -0.25 -0.03 0.54 -1.34 0.00 0.00 175.55 175.34 1uml s VAL 98 N 1.51 0.21 -0.13 3.14 0.11 0.19 -1.24 120.40 124.18 1uml s VAL 98 Ca -0.07 -0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 58.80 1uml s VAL 98 Cb -0.11 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1uml s VAL 98 CO -0.08 0.04 0.04 -1.61 -3.33 0.00 0.00 175.10 170.17 1uml s GLU 99 N -0.10 3.49 -0.00 1.54 2.02 -0.17 -0.80 118.70 124.69 1uml s GLU 99 Ca 0.01 -0.35 0.07 0.00 0.02 0.00 0.00 54.97 54.72 1uml s GLU 99 Cb -0.01 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 1uml s GLU 99 CO -0.00 0.52 -0.21 0.54 0.02 0.00 0.00 175.26 176.13 1uml s VAL 100 N -0.34 1.63 0.12 2.63 0.11 -0.32 -3.99 120.40 120.25 1uml s VAL 100 Ca 0.08 -0.95 0.09 0.00 -2.93 0.00 0.00 61.98 58.27 1uml s VAL 100 Cb -0.12 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.32 1uml s VAL 100 CO 0.02 0.40 -0.22 0.00 -3.33 0.00 0.00 175.10 171.97 1uml s ARG 101 N -0.64 1.23 0.13 1.54 1.70 0.62 -0.13 118.95 123.40 1uml s ARG 101 Ca 0.08 -1.25 -0.25 0.00 -0.47 0.00 0.00 55.73 53.84 1uml s ARG 101 Cb -0.08 -1.54 0.07 0.00 -0.57 0.00 0.00 34.95 32.83 1uml s ARG 101 CO -0.00 0.35 0.81 1.52 -1.08 0.00 0.00 175.30 176.90 1uml s TYR 102 N -1.25 -0.30 -0.36 5.89 -0.85 -0.97 -0.86 117.35 118.66 1uml s TYR 102 Ca 0.10 0.04 -0.15 0.00 -0.52 0.00 0.00 57.07 56.54 1uml s TYR 102 Cb -0.09 0.60 -0.01 0.00 0.38 0.00 0.00 41.96 42.84 1uml s TYR 102 CO 0.05 -0.82 0.34 0.45 -1.52 0.00 0.00 175.55 174.05 1uml s SER 103 N -2.76 6.15 0.36 -0.18 0.15 -1.26 -0.24 113.70 115.93 1uml s SER 103 Ca 0.07 -0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.42 1uml s SER 103 Cb -0.02 -2.19 0.74 0.00 -1.71 0.00 0.00 66.02 62.84 1uml s SER 103 CO -0.04 -0.35 1.95 1.55 1.20 0.00 0.00 173.24 177.55 1uml h PRO 104 N 8.51 0.74 -0.31 5.44 0.13 -1.92 -2.61 132.00 141.98 1uml h PRO 104 Ca -0.29 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 1uml h PRO 104 Cb 1.14 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1uml h PRO 104 CO 0.70 0.49 0.02 0.45 -0.23 0.00 0.00 178.00 179.43 1uml h HIS 105 N 0.76 0.48 0.00 1.56 3.86 -1.91 -1.96 115.15 117.94 1uml h HIS 105 Ca 0.32 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1uml h HIS 105 Cb 0.29 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1uml h HIS 105 CO -0.00 0.46 0.00 1.28 0.86 0.00 0.00 177.93 180.53 1uml n LEU 106 N -4.32 0.00 -0.90 2.43 4.77 -0.99 -2.17 117.00 115.83 1uml n LEU 106 Ca 0.01 0.39 0.08 0.00 -0.03 0.00 0.00 56.01 56.46 1uml n LEU 106 Cb 0.21 -0.39 0.21 0.00 -2.33 0.00 0.00 43.42 41.13 1uml n LEU 106 CO 0.38 -0.10 0.67 0.18 -1.33 0.00 0.00 177.39 177.19 1uml n LEU 107 N -1.39 3.25 -4.55 2.23 4.32 -0.74 -4.84 117.00 115.28 1uml n LEU 107 Ca 0.08 -1.92 -0.27 0.00 -0.02 0.00 0.00 56.01 53.88 1uml n LEU 107 Cb 0.21 -0.31 -0.10 0.00 -1.62 0.00 0.00 43.42 41.61 1uml n LEU 107 CO 0.18 0.80 -0.43 0.00 -1.22 0.00 0.00 177.39 176.73 1uml s ALA 108 N -1.03 2.89 -0.08 -1.18 0.00 -0.92 -2.03 121.76 119.40 1uml s ALA 108 Ca 0.32 -1.48 0.12 0.00 0.00 0.00 0.00 51.96 50.93 1uml s ALA 108 Cb 0.17 -0.69 0.19 0.00 0.00 0.00 0.00 23.12 22.78 1uml s ALA 108 CO 0.22 0.47 1.08 0.27 0.00 0.00 0.00 175.76 177.81 1uml n ASN 109 N 0.12 1.74 -3.56 0.00 6.94 0.18 -4.55 115.26 116.14 1uml n ASN 109 Ca -0.11 -2.67 -0.15 0.00 -0.02 0.00 0.00 54.58 51.63 1uml n ASN 109 Cb 0.55 -0.32 -0.06 0.00 -2.36 0.00 0.00 39.78 37.59 1uml n ASN 109 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1uml s SER 110 N -2.17 -0.58 -0.74 0.53 0.15 -0.66 -3.82 113.70 106.40 1uml s SER 110 Ca 0.21 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1uml s SER 110 Cb 0.18 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1uml s SER 110 CO 0.02 -0.47 0.00 0.29 1.20 0.00 0.00 173.24 174.28 1uml n LYS 111 N 1.16 -0.66 -3.61 5.44 4.01 -1.26 -3.81 118.16 119.42 1uml n LYS 111 Ca -0.16 0.45 -0.13 0.00 -0.51 0.00 0.00 58.31 57.96 1uml n LYS 111 Cb 0.57 -4.41 -0.12 0.00 -0.51 0.00 0.00 35.03 30.56 1uml n LYS 111 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1uml s VAL 112 N -2.41 -0.44 -0.16 -0.18 0.11 -1.26 -4.82 120.40 111.24 1uml s VAL 112 Ca 0.00 0.18 -0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1uml s VAL 112 Cb 0.00 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1uml s VAL 112 CO 0.00 0.05 -0.15 -0.70 -3.33 0.00 0.00 175.10 170.97 1uml s GLU 113 N 2.44 3.20 0.84 1.54 2.56 -1.26 -2.56 118.70 125.46 1uml s GLU 113 Ca 0.03 -0.75 -0.12 0.00 0.00 0.00 0.00 54.97 54.13 1uml s GLU 113 Cb -0.13 -2.65 0.10 0.00 2.00 0.00 0.00 34.13 33.45 1uml s GLU 113 CO -0.10 -0.04 1.12 -2.14 -0.56 0.00 0.00 175.26 173.55 1uml s PRO 114 N 0.94 1.72 -0.14 4.30 0.02 -1.26 -5.02 135.00 135.56 1uml s PRO 114 Ca -0.03 0.42 -0.29 0.00 0.02 0.00 0.00 61.00 61.11 1uml s PRO 114 Cb -0.15 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 1uml s PRO 114 CO -0.02 -1.82 1.24 0.96 -0.33 0.00 0.00 177.00 177.02 1uml s ILE 115 N -3.27 4.30 0.92 2.83 -4.36 -1.06 -5.00 121.20 115.56 1uml s ILE 115 Ca 0.62 1.58 -0.12 0.00 -0.26 0.00 0.00 60.65 62.48 1uml s ILE 115 Cb -0.14 -4.02 0.14 0.00 1.25 0.00 0.00 42.46 39.69 1uml s ILE 115 CO 0.53 -0.11 1.10 -2.16 0.24 0.00 0.00 174.94 174.54 1uml s PRO 116 N 3.18 1.09 -1.92 0.37 0.04 -1.26 -3.85 135.00 132.64 1uml s PRO 116 Ca 0.54 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1uml s PRO 116 Cb -0.22 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1uml s PRO 116 CO 0.16 -2.32 0.00 0.91 0.04 0.00 0.00 177.00 175.79 1uml n TRP 117 N -3.92 -0.21 0.00 0.56 5.03 -1.26 -4.08 117.44 113.57 1uml n TRP 117 Ca 0.06 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.59 1uml n TRP 117 Cb 0.56 -3.32 0.00 0.00 -1.03 0.00 0.00 31.31 27.52 1uml n TRP 117 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 1uml n ASN 118 N -1.19 0.00 -1.77 -0.99 3.02 -1.25 -4.83 115.26 108.25 1uml n ASN 118 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1uml n ASN 118 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1uml n ASN 118 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1uml n GLN 119 N 0.00 -1.70 -0.55 3.52 7.27 -1.26 -4.86 117.38 119.81 1uml n GLN 119 Ca 0.00 1.20 -0.30 0.00 0.07 0.00 0.00 57.00 57.98 1uml n GLN 119 Cb 0.00 -1.69 0.23 0.00 2.41 0.00 0.00 30.24 31.19 1uml n GLN 119 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1uml n ALA 120 N 1.71 -3.01 -1.00 1.69 0.00 -1.26 -4.91 120.51 113.72 1uml n ALA 120 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1uml n ALA 120 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1uml n ALA 120 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1uml n GLU 121 N -4.16 0.00 0.00 0.00 2.13 -1.26 -4.94 120.64 112.40 1uml n GLU 121 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1uml n GLU 121 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 1uml n GLU 121 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uml n GLY 122 N 1.54 -0.23 0.07 8.31 0.00 -1.25 -4.61 105.19 109.03 1uml n GLY 122 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1uml n GLY 122 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uml n ASP 123 N 0.00 0.36 -4.51 1.61 3.85 -1.26 -4.68 116.55 111.92 1uml n ASP 123 Ca 0.00 -1.35 -0.43 0.00 -0.71 0.00 0.00 54.79 52.30 1uml n ASP 123 Cb 0.00 -0.04 -0.05 0.00 -1.35 0.00 0.00 41.12 39.68 1uml n ASP 123 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1uml s LEU 124 N -0.23 4.35 0.30 -2.12 0.20 -1.26 -4.90 118.68 115.02 1uml s LEU 124 Ca 0.01 -0.36 -0.03 0.00 0.69 0.00 0.00 54.13 54.44 1uml s LEU 124 Cb 0.01 -2.80 -0.04 0.00 -0.43 0.00 0.00 46.19 42.92 1uml s LEU 124 CO 0.00 -1.01 0.54 0.42 -0.29 0.00 0.00 176.35 176.01 1uml s THR 125 N 3.37 5.06 0.32 3.68 -4.23 -1.25 -0.64 115.64 121.95 1uml s THR 125 Ca 0.27 -0.13 0.10 0.00 -1.18 0.00 0.00 61.69 60.75 1uml s THR 125 Cb -0.14 -3.77 0.33 0.00 1.34 0.00 0.00 72.50 70.26 1uml s THR 125 CO 0.19 -0.39 1.65 -0.65 -0.54 0.00 0.00 174.62 174.88 1uml h PRO 126 N 1.41 0.25 -0.80 3.99 0.11 -1.82 -1.88 132.00 133.26 1uml h PRO 126 Ca -0.48 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1uml h PRO 126 Cb 1.20 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1uml h PRO 126 CO 0.65 0.17 0.53 0.22 -0.21 0.00 0.00 178.00 179.35 1uml h ASP 127 N 0.26 0.91 0.47 -2.05 1.82 -1.94 -2.14 116.42 113.75 1uml h ASP 127 Ca 0.67 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.29 1uml h ASP 127 Cb 1.49 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1uml h ASP 127 CO -0.64 0.66 -0.52 -1.84 -1.61 0.00 0.00 179.24 175.29 1uml n GLU 128 N -4.54 0.03 -0.12 0.28 0.28 -0.78 -2.89 120.64 112.91 1uml n GLU 128 Ca 0.08 -0.02 -0.05 0.00 -0.16 0.00 0.00 57.16 57.01 1uml n GLU 128 Cb 0.02 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.42 1uml n GLU 128 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1uml h VAL 129 N 0.05 0.85 -0.10 3.84 2.07 -0.89 0.74 116.25 122.80 1uml h VAL 129 Ca 0.00 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1uml h VAL 129 Cb 0.50 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1uml h VAL 129 CO 0.00 0.05 -0.34 1.62 0.02 0.00 0.00 177.57 178.92 1uml h VAL 130 N 0.28 1.27 -0.23 2.57 3.04 -1.37 0.84 116.25 122.65 1uml h VAL 130 Ca 0.19 -1.30 -0.10 0.00 -1.01 0.00 0.00 66.70 64.48 1uml h VAL 130 Cb 0.20 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1uml h VAL 130 CO -0.21 0.39 -0.30 0.77 -1.01 0.00 0.00 177.57 177.20 1uml h SER 131 N 0.17 0.47 -0.18 3.17 4.64 -1.36 -0.38 113.55 120.07 1uml h SER 131 Ca 0.02 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.09 1uml h SER 131 Cb 0.68 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1uml h SER 131 CO 0.05 0.76 -0.18 -0.07 -0.87 0.00 0.00 176.83 176.52 1uml h LEU 132 N 0.40 0.47 -0.95 5.97 3.38 -0.34 -1.50 115.31 122.74 1uml h LEU 132 Ca 0.05 -0.48 0.08 0.00 0.09 0.00 0.00 57.88 57.63 1uml h LEU 132 Cb 0.73 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1uml h LEU 132 CO 0.06 0.85 0.59 0.58 0.09 0.00 0.00 178.44 180.61 1uml h VAL 133 N 0.10 1.01 -0.00 1.22 2.07 -0.84 -1.63 116.25 118.18 1uml h VAL 133 Ca 0.03 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1uml h VAL 133 Cb 0.72 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1uml h VAL 133 CO 0.04 0.19 -0.24 -0.46 0.02 0.00 0.00 177.57 177.12 1uml n ASN 134 N -4.60 0.45 -0.04 0.57 0.23 -0.16 -1.69 115.26 110.04 1uml n ASN 134 Ca 0.15 -0.28 -0.13 0.00 -0.53 0.00 0.00 54.58 53.79 1uml n ASN 134 Cb 0.24 -0.03 -0.08 0.00 -2.08 0.00 0.00 39.78 37.83 1uml n ASN 134 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1uml h GLN 135 N 0.34 0.23 -0.84 -3.83 4.20 -0.92 -2.87 115.11 111.42 1uml h GLN 135 Ca 0.00 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.63 1uml h GLN 135 Cb 0.46 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 1uml h GLN 135 CO 0.00 0.67 0.55 0.78 -0.67 0.00 0.00 178.83 180.16 1uml h GLY 136 N -0.20 1.20 1.20 3.46 0.00 -0.93 -1.93 103.07 105.88 1uml h GLY 136 Ca 0.01 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 46.76 1uml h GLY 136 CO 0.02 0.33 -0.55 -2.00 0.00 0.00 0.00 176.54 174.34 1uml h LEU 137 N 1.01 0.93 -0.42 3.11 5.85 -1.43 -1.70 115.31 122.65 1uml h LEU 137 Ca 0.35 -0.50 -0.17 0.00 0.84 0.00 0.00 57.88 58.39 1uml h LEU 137 Cb 0.09 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1uml h LEU 137 CO -0.11 1.29 -0.57 1.56 -0.34 0.00 0.00 178.44 180.27 1uml h GLN 138 N 0.64 0.66 -0.82 1.25 4.20 -1.25 -0.85 115.11 118.94 1uml h GLN 138 Ca 0.01 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.26 1uml h GLN 138 Cb 1.16 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.95 1uml h GLN 138 CO 0.12 1.05 0.38 0.93 -0.67 0.00 0.00 178.83 180.64 1uml h GLU 139 N 0.50 1.19 -0.73 1.46 5.08 -1.39 -2.32 114.58 118.37 1uml h GLU 139 Ca 0.00 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1uml h GLU 139 Cb 1.14 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1uml h GLU 139 CO 0.11 0.93 0.28 0.78 -1.00 0.00 0.00 179.01 180.11 1uml h GLY 140 N 1.17 1.17 0.66 -3.84 0.00 -1.12 -0.94 103.07 100.18 1uml h GLY 140 Ca 0.28 -0.65 0.07 0.00 0.00 0.00 0.00 47.33 47.03 1uml h GLY 140 CO -0.03 0.61 0.50 -2.09 0.00 0.00 0.00 176.54 175.53 1uml h GLU 141 N 1.05 0.87 -0.09 4.80 4.81 -1.04 0.20 114.58 125.18 1uml h GLU 141 Ca 0.24 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.27 1uml h GLU 141 Cb 0.22 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1uml h GLU 141 CO -0.02 0.58 -0.60 0.00 -0.73 0.00 0.00 179.01 178.24 1uml h ARG 142 N 0.90 0.32 0.00 1.92 -0.00 -1.03 -1.83 114.38 114.66 1uml h ARG 142 Ca 0.38 -0.22 -0.18 0.00 -0.50 0.00 0.00 59.98 59.45 1uml h ARG 142 Cb 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.20 1uml h ARG 142 CO -0.19 0.82 -1.39 -0.44 0.00 0.00 0.00 179.97 178.77 1uml h ASP 143 N 0.23 0.00 -0.00 7.04 3.45 -0.79 -3.39 116.42 122.96 1uml h ASP 143 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1uml h ASP 143 Cb 1.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.89 1uml h ASP 143 CO 0.10 0.65 -0.13 0.49 -1.57 0.00 0.00 179.24 178.78 1uml n PHE 144 N -2.95 0.00 -2.29 4.55 3.01 0.68 -5.01 117.46 115.45 1uml n PHE 144 Ca -0.10 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.18 1uml n PHE 144 Cb 0.87 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.32 1uml n PHE 144 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uml n GLY 145 N 0.74 -0.24 3.67 1.37 0.00 -0.69 -4.90 105.19 105.15 1uml n GLY 145 Ca 0.02 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1uml n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uml s VAL 146 N -2.88 4.80 -0.12 1.61 1.01 -1.25 -4.93 120.40 118.64 1uml s VAL 146 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 1uml s VAL 146 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1uml s VAL 146 CO 0.00 0.50 0.82 -0.75 0.00 0.00 0.00 175.10 175.67 1uml s LYS 147 N -0.00 4.37 -0.07 2.72 2.20 -0.39 -4.28 119.74 124.29 1uml s LYS 147 Ca 0.06 1.04 0.05 0.00 -0.36 0.00 0.00 55.97 56.76 1uml s LYS 147 Cb -0.12 -3.53 -0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1uml s LYS 147 CO 0.01 -0.19 -0.22 0.08 -0.36 0.00 0.00 175.35 174.67 1uml s VAL 148 N 1.66 1.84 0.34 4.02 1.01 -1.26 -0.64 120.40 127.37 1uml s VAL 148 Ca 0.40 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1uml s VAL 148 Cb -0.17 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 1uml s VAL 148 CO 0.16 0.51 0.02 -0.13 0.00 0.00 0.00 175.10 175.66 1uml s ARG 149 N 0.15 1.74 0.12 2.72 1.81 0.02 -4.98 118.95 120.52 1uml s ARG 149 Ca -0.10 -1.96 0.06 0.00 -1.72 0.00 0.00 55.73 52.01 1uml s ARG 149 Cb -0.15 -1.17 -0.04 0.00 -0.45 0.00 0.00 34.95 33.15 1uml s ARG 149 CO 0.05 -0.10 -0.15 -1.54 -0.68 0.00 0.00 175.30 172.88 1uml s SER 150 N -3.55 2.05 -0.04 0.23 1.04 -0.32 -1.17 113.70 111.95 1uml s SER 150 Ca 0.35 -0.77 0.05 0.00 0.48 0.00 0.00 55.95 56.05 1uml s SER 150 Cb 0.08 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1uml s SER 150 CO 0.16 -0.11 -0.18 -0.63 0.98 0.00 0.00 173.24 173.46 1uml s ILE 151 N -1.91 2.74 -0.22 -1.02 -1.09 0.82 -0.67 121.20 119.85 1uml s ILE 151 Ca 0.08 -0.84 -0.05 0.00 -2.23 0.00 0.00 60.65 57.60 1uml s ILE 151 Cb -0.06 -2.04 -0.02 0.00 -1.58 0.00 0.00 42.46 38.76 1uml s ILE 151 CO 0.03 0.59 -0.00 -0.76 -1.23 0.00 0.00 174.94 173.57 1uml s LEU 152 N -0.68 3.16 0.02 2.97 1.43 -0.40 -2.28 118.68 122.89 1uml s LEU 152 Ca 0.11 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 1uml s LEU 152 Cb -0.10 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1uml s LEU 152 CO 0.00 0.02 1.05 0.00 0.23 0.00 0.00 176.35 177.65 1uml s MET 155 N -4.15 3.54 0.24 0.00 -1.94 -1.26 0.27 119.30 115.99 1uml s MET 155 Ca 0.59 -0.54 -0.06 0.00 -1.71 0.00 0.00 55.69 53.97 1uml s MET 155 Cb -0.10 -2.85 0.42 0.00 2.01 0.00 0.00 34.83 34.31 1uml s MET 155 CO 0.33 0.29 1.70 0.00 -0.01 0.00 0.00 175.02 177.34 1uml h ARG 156 N 6.52 0.31 0.00 2.03 2.47 -0.63 -1.79 114.38 123.29 1uml h ARG 156 Ca -0.33 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 1uml h ARG 156 Cb 1.19 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 1uml h ARG 156 CO 0.61 0.21 0.00 -2.39 0.56 0.00 0.00 179.97 178.96 1uml n HIS 157 N -5.10 0.00 -3.20 3.04 1.44 -1.26 -4.26 115.22 105.87 1uml n HIS 157 Ca 0.13 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.61 1uml n HIS 157 Cb 0.41 -0.30 -0.06 0.00 0.12 0.00 0.00 29.99 30.16 1uml n HIS 157 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1uml n GLN 158 N -1.30 1.15 0.13 -1.40 -0.06 -0.67 -4.92 117.38 110.30 1uml n GLN 158 Ca 0.13 -3.54 0.08 0.00 -2.00 0.00 0.00 57.00 51.67 1uml n GLN 158 Cb 0.23 -1.53 0.42 0.00 -4.06 0.00 0.00 30.24 25.30 1uml n GLN 158 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1uml n PRO 159 N 0.95 0.10 0.23 3.69 -0.04 -1.26 -1.34 135.00 137.33 1uml n PRO 159 Ca 0.24 0.59 0.14 0.00 -0.04 0.00 0.00 63.50 64.43 1uml n PRO 159 Cb 0.54 -1.89 0.43 0.00 -0.04 0.00 0.00 33.50 32.54 1uml n PRO 159 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1uml h SER 160 N 0.00 0.00 0.85 3.54 4.64 -1.92 -3.04 113.55 117.63 1uml h SER 160 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uml h SER 160 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1uml h SER 160 CO 0.00 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.75 1uml n TRP 161 N -2.94 0.33 0.09 4.77 8.01 -0.45 -4.31 117.44 122.93 1uml n TRP 161 Ca 0.03 0.11 -0.05 0.00 -1.31 0.00 0.00 57.50 56.28 1uml n TRP 161 Cb 0.40 -0.68 -0.01 0.00 -2.01 0.00 0.00 31.31 29.01 1uml n TRP 161 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1uml h SER 162 N 0.00 0.02 0.72 -0.99 0.02 -1.71 -2.16 113.55 109.45 1uml h SER 162 Ca 0.00 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 1uml h SER 162 Cb 0.43 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1uml h SER 162 CO 0.00 0.87 -0.52 0.77 -1.14 0.00 0.00 176.83 176.81 1uml h SER 163 N 0.01 0.00 -0.55 3.07 4.64 -1.79 -2.16 113.55 116.77 1uml h SER 163 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1uml h SER 163 Cb 1.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.58 1uml h SER 163 CO 0.11 0.52 0.04 -0.33 -0.87 0.00 0.00 176.83 176.30 1uml h GLU 164 N 0.00 0.98 -0.06 4.77 5.08 -1.70 -2.35 114.58 121.30 1uml h GLU 164 Ca -0.01 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1uml h GLU 164 Cb 1.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1uml h GLU 164 CO 0.07 0.94 0.02 0.28 -1.00 0.00 0.00 179.01 179.31 1uml h VAL 165 N 0.91 1.18 -0.69 3.13 2.07 -1.14 0.46 116.25 122.18 1uml h VAL 165 Ca 0.17 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1uml h VAL 165 Cb 0.48 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1uml h VAL 165 CO 0.02 0.15 0.45 -0.37 0.02 0.00 0.00 177.57 177.85 1uml h VAL 166 N -0.11 1.12 -0.23 2.57 -1.51 -1.46 -0.54 116.25 116.09 1uml h VAL 166 Ca 0.02 -0.29 -0.11 0.00 -1.23 0.00 0.00 66.70 65.08 1uml h VAL 166 Cb 0.23 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 29.57 1uml h VAL 166 CO -0.00 0.16 -0.33 -0.33 -1.23 0.00 0.00 177.57 175.84 1uml h GLU 167 N 0.86 0.49 -0.33 5.19 4.39 -1.21 -2.21 114.58 121.75 1uml h GLU 167 Ca 0.27 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 1uml h GLU 167 Cb 0.02 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1uml h GLU 167 CO -0.07 0.76 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.35 1uml h LEU 168 N 0.42 0.56 -0.73 1.33 4.07 -0.34 -1.74 115.31 118.89 1uml h LEU 168 Ca 0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 1uml h LEU 168 Cb 0.78 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.34 1uml h LEU 168 CO 0.06 0.71 0.38 0.00 -1.08 0.00 0.00 178.44 178.51 1uml h LYS 170 N 1.01 0.53 -0.55 0.00 1.57 -1.28 -2.66 116.57 115.19 1uml h LYS 170 Ca 0.25 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1uml h LYS 170 Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1uml h LYS 170 CO -0.04 0.63 0.33 -0.22 -0.57 0.00 0.00 179.45 179.58 1uml h LYS 171 N 0.35 0.74 -0.40 3.15 3.64 -1.22 -3.10 116.57 119.73 1uml h LYS 171 Ca 0.09 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.23 1uml h LYS 171 Cb 0.36 -0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 31.92 1uml h LYS 171 CO 0.01 0.52 0.00 0.66 -2.27 0.00 0.00 179.45 178.37 1uml n TYR 172 N -4.42 1.26 -2.39 1.91 4.01 -0.78 -5.05 117.16 111.69 1uml n TYR 172 Ca 0.05 -1.50 -0.36 0.00 -0.16 0.00 0.00 57.90 55.93 1uml n TYR 172 Cb 0.08 -0.51 -0.02 0.00 -0.31 0.00 0.00 39.34 38.58 1uml n TYR 172 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1uml s ARG 173 N -3.18 3.86 0.00 -0.72 1.70 -1.01 -2.33 118.95 117.27 1uml s ARG 173 Ca 0.45 1.62 0.00 0.00 -0.47 0.00 0.00 55.73 57.33 1uml s ARG 173 Cb 0.40 -2.37 0.00 0.00 -0.57 0.00 0.00 34.95 32.41 1uml s ARG 173 CO 0.02 -0.43 0.00 0.39 -1.08 0.00 0.00 175.30 174.20 1uml n GLU 174 N -0.50 0.00 -3.08 3.89 1.02 -1.09 -4.80 120.64 116.08 1uml n GLU 174 Ca 0.07 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 1uml n GLU 174 Cb 0.49 -0.13 -0.01 0.00 -0.02 0.00 0.00 31.44 31.77 1uml n GLU 174 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uml n GLN 175 N 0.00 0.92 0.00 3.49 -0.00 -1.06 -4.39 117.38 116.34 1uml n GLN 175 Ca 0.00 -2.98 0.00 0.00 -0.00 0.00 0.00 57.00 54.02 1uml n GLN 175 Cb 0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 30.24 28.76 1uml n GLN 175 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1uml n THR 176 N 0.58 0.52 -3.41 -0.39 -2.24 -1.21 -4.97 114.28 103.16 1uml n THR 176 Ca 0.20 -0.73 -0.37 0.00 -2.27 0.00 0.00 64.05 60.88 1uml n THR 176 Cb 0.64 0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 69.57 1uml n THR 176 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1uml s VAL 177 N -0.52 5.23 -0.33 2.28 -7.23 -0.99 -1.17 120.40 117.67 1uml s VAL 177 Ca 0.00 0.74 0.09 0.00 -1.81 0.00 0.00 61.98 61.00 1uml s VAL 177 Cb 0.00 -3.73 -0.11 0.00 0.56 0.00 0.00 36.38 33.10 1uml s VAL 177 CO 0.00 0.32 0.35 1.33 -0.31 0.00 0.00 175.10 176.78 1uml n VAL 178 N 3.89 0.00 -3.65 1.32 0.24 0.15 -2.68 118.33 117.61 1uml n VAL 178 Ca -0.09 -0.26 -0.08 0.00 -2.04 0.00 0.00 64.34 61.86 1uml n VAL 178 Cb 0.51 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.68 1uml n VAL 178 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uml s ALA 179 N -2.08 -1.48 -0.07 2.33 0.00 -1.24 -2.71 121.76 116.51 1uml s ALA 179 Ca 0.02 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1uml s ALA 179 Cb 0.07 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1uml s ALA 179 CO 0.39 -0.91 -0.07 -1.50 0.00 0.00 0.00 175.76 173.67 1uml s ILE 180 N -3.68 3.66 0.34 0.00 2.07 0.45 -1.28 121.20 122.76 1uml s ILE 180 Ca 0.07 -0.50 0.05 0.00 -1.41 0.00 0.00 60.65 58.87 1uml s ILE 180 Cb -0.03 -2.49 -0.07 0.00 0.13 0.00 0.00 42.46 40.00 1uml s ILE 180 CO -0.03 0.60 0.02 -0.62 -1.91 0.00 0.00 174.94 173.01 1uml s ASP 181 N -0.81 2.87 -0.07 4.50 3.68 -0.74 -0.77 116.67 125.33 1uml s ASP 181 Ca 0.12 -1.34 -0.01 0.00 2.13 0.00 0.00 52.55 53.45 1uml s ASP 181 Cb -0.11 -0.19 0.03 0.00 -1.45 0.00 0.00 42.92 41.20 1uml s ASP 181 CO 0.01 -0.52 -0.00 -0.22 0.13 0.00 0.00 175.17 174.57 1uml s LEU 182 N -3.54 0.64 0.24 -1.34 1.98 -1.21 -0.01 118.68 115.43 1uml s LEU 182 Ca 0.35 -0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.52 1uml s LEU 182 Cb 0.08 -0.45 -0.05 0.00 0.66 0.00 0.00 46.19 46.43 1uml s LEU 182 CO 0.16 -0.18 0.05 0.00 -1.89 0.00 0.00 176.35 174.48 1uml s ALA 183 N 1.91 1.71 -0.04 5.97 0.00 0.14 -2.22 121.76 129.23 1uml s ALA 183 Ca 0.04 -1.80 -0.01 0.00 0.00 0.00 0.00 51.96 50.19 1uml s ALA 183 Cb -0.12 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1uml s ALA 183 CO -0.05 -0.37 0.05 0.41 0.00 0.00 0.00 175.76 175.80 1uml n GLY 184 N -0.43 -0.68 1.03 0.00 0.00 -1.26 -0.11 105.19 103.75 1uml n GLY 184 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1uml n GLY 184 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uml n ASP 185 N -0.58 -1.38 0.00 1.61 -0.08 -1.26 -3.93 116.55 110.93 1uml n ASP 185 Ca 0.01 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.41 1uml n ASP 185 Cb 0.12 -0.69 0.73 0.00 2.34 0.00 0.00 41.12 43.61 1uml n ASP 185 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1uml n GLU 186 N -0.47 0.86 0.18 -0.67 0.28 -1.26 -2.60 120.64 116.95 1uml n GLU 186 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1uml n GLU 186 Cb 0.13 -1.45 0.18 0.00 1.43 0.00 0.00 31.44 31.73 1uml n GLU 186 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1uml h THR 187 N 0.00 0.00 -2.86 3.84 2.02 -1.92 -3.46 112.91 110.53 1uml h THR 187 Ca 0.00 -0.89 -0.54 0.00 0.77 0.00 0.00 66.41 65.74 1uml h THR 187 Cb 0.00 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1uml h THR 187 CO 0.00 0.00 0.87 -0.51 0.37 0.00 0.00 175.52 176.25 1uml s ILE 188 N -3.21 3.64 0.10 3.11 2.07 -1.07 -4.86 121.20 120.99 1uml s ILE 188 Ca 0.06 1.01 -0.33 0.00 -1.41 0.00 0.00 60.65 59.98 1uml s ILE 188 Cb 0.07 -3.65 -0.13 0.00 0.13 0.00 0.00 42.46 38.89 1uml s ILE 188 CO 0.68 -0.01 1.71 1.21 -1.91 0.00 0.00 174.94 176.62 1uml n GLU 189 N 5.57 2.35 -1.00 3.50 2.13 -1.26 -2.06 120.64 129.88 1uml n GLU 189 Ca 0.14 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.81 1uml n GLU 189 Cb 0.43 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.47 1uml n GLU 189 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uml n GLY 190 N 3.85 0.50 0.23 8.31 0.00 -1.26 -4.92 105.19 111.89 1uml n GLY 190 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1uml n GLY 190 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1uml h SER 191 N 0.00 0.00 0.80 1.61 4.64 -1.75 -1.68 113.55 117.16 1uml h SER 191 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1uml h SER 191 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1uml h SER 191 CO 0.00 0.20 -0.05 0.28 -0.87 0.00 0.00 176.83 176.39 1uml h SER 192 N 0.00 0.00 -0.12 4.97 0.02 -1.91 -3.16 113.55 113.34 1uml h SER 192 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uml h SER 192 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1uml h SER 192 CO 0.03 0.05 0.00 0.18 -1.14 0.00 0.00 176.83 175.95 1uml n LEU 193 N -3.21 2.16 -4.69 5.07 4.32 -0.67 -4.47 117.00 115.52 1uml n LEU 193 Ca -0.00 -1.42 -0.43 0.00 -0.02 0.00 0.00 56.01 54.14 1uml n LEU 193 Cb 0.29 -0.08 -0.03 0.00 -1.62 0.00 0.00 43.42 41.98 1uml n LEU 193 CO 0.28 0.49 1.44 0.49 -1.22 0.00 0.00 177.39 178.87 1uml n PHE 194 N 0.43 2.58 -0.36 -1.77 3.72 -1.00 -4.82 117.46 116.23 1uml n PHE 194 Ca 0.07 -0.08 0.26 0.00 -0.05 0.00 0.00 57.45 57.65 1uml n PHE 194 Cb 0.29 -2.70 0.53 0.00 -0.94 0.00 0.00 39.48 36.66 1uml n PHE 194 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1uml h PRO 195 N 8.21 0.31 -0.96 -1.08 0.11 -1.93 -0.55 132.00 136.10 1uml h PRO 195 Ca -0.46 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1uml h PRO 195 Cb 1.23 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1uml h PRO 195 CO 0.94 0.21 0.63 0.78 -0.21 0.00 0.00 178.00 180.35 1uml h GLY 196 N 0.32 1.36 0.74 -0.55 0.00 -1.90 -1.07 103.07 101.97 1uml h GLY 196 Ca 0.68 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 47.40 1uml h GLY 196 CO -0.40 0.47 -0.41 0.45 0.00 0.00 0.00 176.54 176.64 1uml h HIS 197 N 1.27 0.54 -0.30 5.60 3.86 -1.32 -2.64 115.15 122.15 1uml h HIS 197 Ca 0.36 -0.25 -0.09 0.00 -1.16 0.00 0.00 60.37 59.24 1uml h HIS 197 Cb -0.10 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1uml h HIS 197 CO -0.00 1.01 -0.18 -0.39 0.86 0.00 0.00 177.93 179.23 1uml h VAL 198 N -0.09 1.25 0.00 2.45 -1.51 -1.24 -0.86 116.25 116.25 1uml h VAL 198 Ca -0.03 -1.16 -0.07 0.00 -1.23 0.00 0.00 66.70 64.20 1uml h VAL 198 Cb 1.08 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 1uml h VAL 198 CO 0.08 0.38 -0.35 1.56 -1.23 0.00 0.00 177.57 178.01 1uml h GLN 199 N 0.49 0.00 -0.21 5.19 1.08 -1.31 -0.80 115.11 119.55 1uml h GLN 199 Ca 0.08 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1uml h GLN 199 Cb 0.59 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1uml h GLN 199 CO 0.04 0.35 0.10 0.00 -0.95 0.00 0.00 178.83 178.37 1uml h ALA 200 N 1.65 0.27 0.00 3.87 0.00 -1.18 -1.68 119.26 122.19 1uml h ALA 200 Ca -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1uml h ALA 200 Cb 1.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1uml h ALA 200 CO 0.05 -0.17 -0.31 1.88 0.00 0.00 0.00 179.25 180.70 1uml h TYR 201 N 0.22 0.00 -0.02 0.00 -1.99 -0.99 -1.60 116.97 112.59 1uml h TYR 201 Ca 0.07 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.66 1uml h TYR 201 Cb 0.11 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.83 1uml h TYR 201 CO -0.03 0.31 -0.66 0.00 -0.00 0.00 0.00 178.16 177.78 1uml h ALA 202 N 1.69 0.87 -0.34 3.88 0.00 -1.08 -1.80 119.26 122.48 1uml h ALA 202 Ca -0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 1uml h ALA 202 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1uml h ALA 202 CO 0.04 0.80 -0.15 0.93 0.00 0.00 0.00 179.25 180.87 1uml h GLU 203 N 0.06 0.61 -0.09 0.00 4.39 -0.91 -2.37 114.58 116.27 1uml h GLU 203 Ca -0.01 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.41 1uml h GLU 203 Cb 1.17 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1uml h GLU 203 CO 0.09 0.74 -0.30 0.00 -1.16 0.00 0.00 179.01 178.38 1uml h ALA 204 N 1.29 1.34 0.08 3.43 0.00 -1.02 -1.18 119.26 123.20 1uml h ALA 204 Ca 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1uml h ALA 204 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1uml h ALA 204 CO 0.04 0.46 -0.04 0.28 0.00 0.00 0.00 179.25 179.99 1uml h VAL 205 N 0.14 1.18 -1.06 0.00 2.07 -1.09 -0.40 116.25 117.10 1uml h VAL 205 Ca 0.02 -1.13 0.30 0.00 0.82 0.00 0.00 66.70 66.71 1uml h VAL 205 Cb 0.60 1.89 -0.12 0.00 -1.52 0.00 0.00 31.29 32.14 1uml h VAL 205 CO 0.04 0.27 0.65 0.50 0.02 0.00 0.00 177.57 179.05 1uml h LYS 206 N -0.64 0.38 -0.18 1.57 3.64 -1.41 -2.65 116.57 117.29 1uml h LYS 206 Ca -0.01 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1uml h LYS 206 Cb 0.52 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1uml h LYS 206 CO 0.02 0.25 -0.00 -1.13 -2.27 0.00 0.00 179.45 176.31 1uml n SER 207 N -4.82 3.34 -1.22 4.20 3.41 -0.45 -4.99 113.62 113.10 1uml n SER 207 Ca 0.29 -3.07 -0.12 0.00 -0.26 0.00 0.00 58.87 55.71 1uml n SER 207 Cb 0.94 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 1uml n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uml n GLY 208 N -0.83 0.46 3.79 5.00 0.00 -0.95 -5.00 105.19 107.65 1uml n GLY 208 Ca 0.20 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1uml n GLY 208 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uml s VAL 209 N -2.55 4.89 0.68 1.61 -7.23 -0.20 -5.05 120.40 112.55 1uml s VAL 209 Ca 0.00 1.15 -0.14 0.00 -1.81 0.00 0.00 61.98 61.19 1uml s VAL 209 Cb 0.00 -3.88 0.01 0.00 0.56 0.00 0.00 36.38 33.07 1uml s VAL 209 CO 0.00 0.48 1.09 -1.00 -0.31 0.00 0.00 175.10 175.37 1uml s HIS 210 N -0.58 2.70 -0.05 2.82 3.76 -1.10 -4.54 115.29 118.30 1uml s HIS 210 Ca 0.29 1.54 0.01 0.00 -0.15 0.00 0.00 55.06 56.75 1uml s HIS 210 Cb -0.18 -3.09 0.02 0.00 1.11 0.00 0.00 32.58 30.43 1uml s HIS 210 CO 0.17 -1.60 -0.07 1.03 -0.85 0.00 0.00 174.74 173.41 1uml s ARG 211 N -4.38 1.09 0.09 1.40 0.52 -1.26 -0.41 118.95 116.00 1uml s ARG 211 Ca 0.64 -0.20 0.05 0.00 -0.52 0.00 0.00 55.73 55.70 1uml s ARG 211 Cb -0.18 -1.01 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 1uml s ARG 211 CO 0.46 -0.05 -0.12 -0.08 0.02 0.00 0.00 175.30 175.52 1uml s THR 212 N 0.84 1.08 -0.02 0.02 -1.32 0.05 -1.79 115.64 114.50 1uml s THR 212 Ca -0.12 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 1uml s THR 212 Cb -0.15 -1.28 0.02 0.00 -1.51 0.00 0.00 72.50 69.59 1uml s THR 212 CO 0.01 -0.41 0.01 -0.69 -2.21 0.00 0.00 174.62 171.34 1uml s VAL 213 N -1.94 0.02 0.49 5.08 1.01 -1.03 -3.34 120.40 120.68 1uml s VAL 213 Ca 0.03 0.12 0.30 0.00 0.00 0.00 0.00 61.98 62.43 1uml s VAL 213 Cb -0.06 -0.10 0.33 0.00 0.00 0.00 0.00 36.38 36.55 1uml s VAL 213 CO 0.02 0.08 2.16 0.45 0.00 0.00 0.00 175.10 177.80 1uml h HIS 214 N 6.92 0.00 0.00 5.22 3.86 -1.67 -0.34 115.15 129.15 1uml h HIS 214 Ca -0.39 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1uml h HIS 214 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1uml h HIS 214 CO 0.48 0.06 0.00 0.00 0.86 0.00 0.00 177.93 179.33 1uml n ALA 215 N -2.27 -0.26 -0.42 2.45 0.00 -1.26 -4.08 120.51 114.68 1uml n ALA 215 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1uml n ALA 215 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1uml n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uml n GLY 216 N 0.00 0.72 0.07 0.00 0.00 -1.26 -2.05 105.19 102.67 1uml n GLY 216 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1uml n GLY 216 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1uml h GLU 217 N 4.13 -0.01 -0.00 1.61 4.11 -1.82 -1.82 114.58 120.78 1uml h GLU 217 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1uml h GLU 217 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1uml h GLU 217 CO 0.00 0.86 -0.01 1.55 0.07 0.00 0.00 179.01 181.47 1uml n VAL 218 N -4.66 0.00 -3.89 -1.06 3.14 -1.26 -4.65 118.33 105.95 1uml n VAL 218 Ca -0.09 -0.49 -0.25 0.00 -2.96 0.00 0.00 64.34 60.55 1uml n VAL 218 Cb 0.42 1.01 -0.03 0.00 -1.06 0.00 0.00 33.84 34.18 1uml n VAL 218 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1uml s GLY 219 N -0.52 2.32 0.91 7.55 0.00 -1.26 -4.96 107.32 111.36 1uml s GLY 219 Ca 0.01 -1.60 -0.14 0.00 0.00 0.00 0.00 44.72 42.99 1uml s GLY 219 CO 0.02 -1.88 1.27 -1.35 0.00 0.00 0.00 173.10 171.15 1uml s SER 220 N -4.14 3.52 0.41 1.64 1.04 -1.26 -4.43 113.70 110.47 1uml s SER 220 Ca 0.39 0.34 0.29 0.00 0.48 0.00 0.00 55.95 57.44 1uml s SER 220 Cb -0.01 -0.51 1.33 0.00 0.10 0.00 0.00 66.02 66.94 1uml s SER 220 CO 0.23 -2.48 1.87 0.00 0.98 0.00 0.00 173.24 173.83 1uml h ALA 221 N -1.43 1.00 -0.47 5.32 0.00 -1.96 -2.21 119.26 119.51 1uml h ALA 221 Ca -0.44 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1uml h ALA 221 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1uml h ALA 221 CO 0.44 0.00 -0.17 -0.97 0.00 0.00 0.00 179.25 178.56 1uml h ASN 222 N 0.00 0.93 0.80 0.00 -1.24 -1.92 -1.34 115.58 112.81 1uml h ASN 222 Ca 0.00 -0.33 -0.10 0.00 0.71 0.00 0.00 56.30 56.58 1uml h ASN 222 Cb 0.28 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1uml h ASN 222 CO 0.00 1.08 -0.48 1.62 -1.29 0.00 0.00 177.43 178.36 1uml h VAL 223 N 0.81 1.10 -0.23 2.57 3.04 -1.76 -1.93 116.25 119.85 1uml h VAL 223 Ca 0.12 -1.81 0.01 0.00 -1.01 0.00 0.00 66.70 64.01 1uml h VAL 223 Cb 0.71 2.05 -0.02 0.00 -2.01 0.00 0.00 31.29 32.03 1uml h VAL 223 CO 0.05 0.47 0.13 0.58 -1.01 0.00 0.00 177.57 177.80 1uml h VAL 224 N 0.00 1.02 -0.87 1.51 2.07 -1.56 -2.41 116.25 116.02 1uml h VAL 224 Ca -0.00 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1uml h VAL 224 Cb 1.01 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1uml h VAL 224 CO 0.06 0.05 0.57 0.50 0.02 0.00 0.00 177.57 178.77 1uml h LYS 225 N 0.27 1.03 -0.11 1.57 3.64 -1.02 -1.12 116.57 120.84 1uml h LYS 225 Ca 0.09 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1uml h LYS 225 Cb -0.00 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1uml h LYS 225 CO -0.04 0.68 -0.53 0.93 -2.27 0.00 0.00 179.45 178.22 1uml h GLU 226 N 1.06 0.30 -0.48 1.90 5.08 -1.30 0.12 114.58 121.26 1uml h GLU 226 Ca 0.35 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1uml h GLU 226 Cb 0.05 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1uml h GLU 226 CO -0.11 0.76 0.07 0.00 -1.00 0.00 0.00 179.01 178.73 1uml h ALA 227 N 1.21 1.22 0.00 3.43 0.00 -0.84 0.48 119.26 124.75 1uml h ALA 227 Ca 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1uml h ALA 227 Cb 1.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1uml h ALA 227 CO 0.09 0.53 -0.03 0.28 0.00 0.00 0.00 179.25 180.11 1uml h VAL 228 N 0.73 1.00 0.01 0.00 2.07 -1.08 -0.92 116.25 118.05 1uml h VAL 228 Ca 0.15 -1.76 -0.19 0.00 0.82 0.00 0.00 66.70 65.72 1uml h VAL 228 Cb 0.34 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1uml h VAL 228 CO 0.01 0.34 -0.90 0.44 0.02 0.00 0.00 177.57 177.47 1uml h ASP 229 N -1.00 0.05 0.00 0.57 3.32 -0.85 -2.98 116.42 115.53 1uml h ASP 229 Ca -0.01 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 1uml h ASP 229 Cb 0.58 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 1uml h ASP 229 CO -0.00 0.92 -1.73 0.41 -1.72 0.00 0.00 179.24 177.12 1uml n THR 230 N -3.51 0.73 0.85 0.35 -1.04 0.04 -4.59 114.28 107.12 1uml n THR 230 Ca -0.01 -0.42 0.11 0.00 -2.04 0.00 0.00 64.05 61.69 1uml n THR 230 Cb 0.85 -0.76 0.13 0.00 -1.82 0.00 0.00 70.33 68.72 1uml n THR 230 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1uml n LEU 231 N -2.47 0.63 -3.56 -4.42 4.77 -0.50 -4.91 117.00 106.53 1uml n LEU 231 Ca -0.18 -0.06 -0.20 0.00 -0.03 0.00 0.00 56.01 55.54 1uml n LEU 231 Cb 0.83 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.82 1uml n LEU 231 CO 0.21 0.11 0.09 0.29 -1.33 0.00 0.00 177.39 176.76 1uml n LYS 232 N -1.68 -6.40 -2.04 3.23 4.01 -0.72 -4.84 118.16 109.72 1uml n LYS 232 Ca 0.04 0.77 -0.38 0.00 -0.51 0.00 0.00 58.31 58.24 1uml n LYS 232 Cb 0.37 -5.68 0.01 0.00 -0.51 0.00 0.00 35.03 29.22 1uml n LYS 232 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1uml s THR 233 N -3.42 2.64 -0.03 -0.18 -4.23 -0.43 -4.85 115.64 105.13 1uml s THR 233 Ca 0.15 0.48 0.10 0.00 -1.18 0.00 0.00 61.69 61.24 1uml s THR 233 Cb -0.07 -3.24 -0.23 0.00 1.34 0.00 0.00 72.50 70.30 1uml s THR 233 CO 0.76 -0.01 0.71 -0.33 -0.54 0.00 0.00 174.62 175.21 1uml h GLU 234 N 1.76 0.03 -4.43 3.99 5.08 -1.71 -3.46 114.58 115.83 1uml h GLU 234 Ca -0.50 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 57.64 1uml h GLU 234 Cb 1.27 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.39 1uml h GLU 234 CO 0.59 0.62 -0.68 1.03 -1.00 0.00 0.00 179.01 179.56 1uml s ARG 235 N -2.61 0.75 -0.22 2.33 0.52 -0.97 -4.16 118.95 114.60 1uml s ARG 235 Ca -0.05 -1.30 -0.07 0.00 -0.52 0.00 0.00 55.73 53.79 1uml s ARG 235 Cb 0.08 0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.57 1uml s ARG 235 CO 0.82 -0.10 0.05 -0.51 0.02 0.00 0.00 175.30 175.58 1uml s LEU 236 N -2.99 3.47 -0.19 2.53 1.43 -0.65 -2.47 118.68 119.81 1uml s LEU 236 Ca 0.12 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 1uml s LEU 236 Cb 0.07 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1uml s LEU 236 CO -0.06 0.05 1.31 -0.83 0.23 0.00 0.00 176.35 177.05 1uml s GLY 237 N 1.10 1.56 0.00 -3.19 0.00 -0.14 0.23 107.32 106.88 1uml s GLY 237 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1uml s GLY 237 CO 0.03 2.58 0.00 1.42 0.00 0.00 0.00 173.10 177.12 1uml n HIS 238 N 6.97 0.00 -2.09 1.90 8.25 0.40 -4.17 115.22 126.47 1uml n HIS 238 Ca 0.15 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.46 1uml n HIS 238 Cb 0.45 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 1uml n HIS 238 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uml n GLY 239 N 0.00 0.14 0.27 -1.41 0.00 -0.87 -4.56 105.19 98.76 1uml n GLY 239 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1uml n GLY 239 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1uml h TYR 240 N 0.00 1.02 0.00 1.61 0.05 -1.60 -2.90 116.97 115.15 1uml h TYR 240 Ca -0.34 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.24 1uml h TYR 240 Cb 1.19 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1uml h TYR 240 CO 0.39 0.97 0.00 0.72 -1.05 0.00 0.00 178.16 179.20 1uml n HIS 241 N -4.25 0.00 0.48 4.88 8.25 -0.92 -3.25 115.22 120.41 1uml n HIS 241 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1uml n HIS 241 Cb 0.36 0.00 0.44 0.00 1.12 0.00 0.00 29.99 31.91 1uml n HIS 241 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1uml n THR 242 N -0.78 0.81 0.05 1.59 -2.24 -1.09 -2.61 114.28 110.01 1uml n THR 242 Ca 0.07 0.17 0.01 0.00 -2.27 0.00 0.00 64.05 62.03 1uml n THR 242 Cb 0.03 -1.02 0.35 0.00 -2.10 0.00 0.00 70.33 67.59 1uml n THR 242 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1uml h LEU 243 N 0.00 0.38 -2.01 3.22 3.38 -1.81 -2.69 115.31 115.78 1uml h LEU 243 Ca 0.00 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.05 1uml h LEU 243 Cb 0.38 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1uml h LEU 243 CO 0.00 0.47 0.38 -0.08 0.09 0.00 0.00 178.44 179.30 1uml h GLU 244 N 0.39 0.00 -4.25 1.13 4.81 -1.77 -3.37 114.58 111.52 1uml h GLU 244 Ca 0.09 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.69 1uml h GLU 244 Cb 0.31 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.29 1uml h GLU 244 CO 0.01 0.00 -0.74 0.34 -0.73 0.00 0.00 179.01 177.89 1uml s ASP 245 N -6.14 4.44 0.30 1.04 3.68 -1.01 -5.04 116.67 113.94 1uml s ASP 245 Ca -0.05 -1.90 0.11 0.00 2.13 0.00 0.00 52.55 52.84 1uml s ASP 245 Cb 0.19 -1.32 0.45 0.00 -1.45 0.00 0.00 42.92 40.80 1uml s ASP 245 CO 0.71 -0.38 1.67 0.71 0.13 0.00 0.00 175.17 178.01 1uml h THR 246 N 6.57 1.39 -0.45 1.71 1.35 -1.77 -1.10 112.91 120.61 1uml h THR 246 Ca -0.09 -1.87 -0.13 0.00 -0.55 0.00 0.00 66.41 63.77 1uml h THR 246 Cb 1.02 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 1uml h THR 246 CO 0.50 0.54 -0.24 0.74 -0.25 0.00 0.00 175.52 176.80 1uml h THR 247 N 0.01 1.27 -0.00 6.82 2.02 -1.95 -1.52 112.91 119.56 1uml h THR 247 Ca -0.00 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.78 1uml h THR 247 Cb 0.97 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1uml h THR 247 CO 0.07 0.48 -0.00 0.25 0.37 0.00 0.00 175.52 176.69 1uml h LEU 248 N 0.79 -0.01 -0.52 2.58 5.85 -1.77 -0.60 115.31 121.63 1uml h LEU 248 Ca 0.10 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.92 1uml h LEU 248 Cb 0.82 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.75 1uml h LEU 248 CO 0.07 -0.01 -0.22 0.22 -0.34 0.00 0.00 178.44 178.17 1uml h TYR 249 N -0.01 -0.54 -0.29 1.25 -0.00 -1.17 -0.01 116.97 116.20 1uml h TYR 249 Ca 0.00 0.06 -0.04 0.00 -0.00 0.00 0.00 58.73 58.74 1uml h TYR 249 Cb 0.01 0.32 -0.02 0.00 -0.00 0.00 0.00 36.73 37.04 1uml h TYR 249 CO -0.09 -0.30 -0.01 -0.91 -0.00 0.00 0.00 178.16 176.85 1uml h ASN 250 N -0.09 0.42 -0.36 -2.11 2.35 -1.03 -0.03 115.58 114.73 1uml h ASN 250 Ca 0.24 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1uml h ASN 250 Cb 0.47 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1uml h ASN 250 CO -0.59 0.49 -0.02 -0.09 -1.65 0.00 0.00 177.43 175.58 1uml h ARG 251 N 0.43 0.64 0.00 0.81 2.43 -0.39 -1.32 114.38 116.98 1uml h ARG 251 Ca 0.09 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1uml h ARG 251 Cb 0.31 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1uml h ARG 251 CO 0.01 0.76 -0.33 -0.07 -1.51 0.00 0.00 179.97 178.83 1uml h LEU 252 N 0.45 0.00 -0.43 3.80 3.38 -0.45 -0.68 115.31 121.38 1uml h LEU 252 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1uml h LEU 252 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1uml h LEU 252 CO 0.02 0.33 0.16 -0.09 0.09 0.00 0.00 178.44 178.96 1uml h ARG 253 N 0.00 0.65 -0.26 1.13 1.12 -0.79 -1.43 114.38 114.80 1uml h ARG 253 Ca -0.00 -0.12 -0.10 0.00 -1.11 0.00 0.00 59.98 58.64 1uml h ARG 253 Cb 0.64 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 1uml h ARG 253 CO 0.04 0.61 -0.26 1.96 -3.11 0.00 0.00 179.97 179.21 1uml h GLN 254 N 0.55 0.51 0.00 0.20 4.20 -0.68 -2.74 115.11 117.15 1uml h GLN 254 Ca 0.14 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1uml h GLN 254 Cb 0.21 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1uml h GLN 254 CO -0.01 0.73 0.00 0.39 -0.67 0.00 0.00 178.83 179.27 1uml n GLU 255 N -4.11 1.00 -3.71 1.46 1.02 -0.31 -4.90 120.64 111.09 1uml n GLU 255 Ca -0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.88 1uml n GLU 255 Cb 0.42 -1.47 0.06 0.00 -0.02 0.00 0.00 31.44 30.43 1uml n GLU 255 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1uml n ASN 256 N -0.97 -5.08 -4.76 1.62 5.15 -1.03 -4.97 115.26 105.22 1uml n ASN 256 Ca 0.23 -0.65 -0.38 0.00 -0.60 0.00 0.00 54.58 53.17 1uml n ASN 256 Cb 0.10 -4.56 0.03 0.00 -0.53 0.00 0.00 39.78 34.82 1uml n ASN 256 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1uml s MET 257 N -6.32 3.33 -0.27 1.20 -2.45 -0.56 -4.88 119.30 109.35 1uml s MET 257 Ca 0.52 2.17 -0.09 0.00 -1.25 0.00 0.00 55.69 57.05 1uml s MET 257 Cb -0.24 -2.34 -0.03 0.00 1.25 0.00 0.00 34.83 33.46 1uml s MET 257 CO 0.77 -1.02 0.11 -1.58 1.05 0.00 0.00 175.02 174.35 1uml s HIS 258 N -1.33 3.13 -0.23 4.11 2.46 -1.25 -4.19 115.29 117.99 1uml s HIS 258 Ca 0.69 -0.31 -0.19 0.00 0.47 0.00 0.00 55.06 55.71 1uml s HIS 258 Cb -0.39 -2.29 -0.03 0.00 -0.13 0.00 0.00 32.58 29.75 1uml s HIS 258 CO 0.46 -0.32 0.58 -0.06 -2.47 0.00 0.00 174.74 172.93 1uml s PHE 259 N 1.65 3.32 -0.92 3.88 0.40 0.33 -1.63 117.98 125.02 1uml s PHE 259 Ca 0.06 0.79 -0.24 0.00 -0.60 0.00 0.00 56.93 56.94 1uml s PHE 259 Cb -0.16 -2.76 0.04 0.00 0.51 0.00 0.00 43.02 40.66 1uml s PHE 259 CO 0.06 -0.22 1.38 -1.21 0.70 0.00 0.00 175.22 175.93 1uml s GLU 260 N 2.10 3.44 0.03 0.44 2.02 0.14 -0.36 118.70 126.52 1uml s GLU 260 Ca 0.25 -0.80 -0.24 0.00 0.02 0.00 0.00 54.97 54.20 1uml s GLU 260 Cb -0.16 -4.92 -0.05 0.00 0.10 0.00 0.00 34.13 29.10 1uml s GLU 260 CO 0.09 -2.18 0.73 0.42 0.02 0.00 0.00 175.26 174.34 1uml s ILE 261 N 5.23 4.77 -0.49 -1.63 -1.09 -0.50 -0.45 121.20 127.04 1uml s ILE 261 Ca 0.42 1.56 0.03 0.00 -2.23 0.00 0.00 60.65 60.43 1uml s ILE 261 Cb -0.03 -4.08 0.14 0.00 -1.58 0.00 0.00 42.46 36.91 1uml s ILE 261 CO -0.01 0.37 0.27 0.00 -1.23 0.00 0.00 174.94 174.35 1uml h PRO 263 N 6.49 -0.68 -0.84 0.00 0.11 -1.94 -2.29 132.00 132.86 1uml h PRO 263 Ca -0.00 0.05 0.14 0.00 0.11 0.00 0.00 66.00 66.29 1uml h PRO 263 Cb 0.90 0.15 -0.09 0.00 0.11 0.00 0.00 31.00 32.07 1uml h PRO 263 CO 0.56 -0.45 0.44 2.35 -0.21 0.00 0.00 178.00 180.69 1uml h TRP 264 N -0.70 0.78 -0.68 0.65 -0.00 -1.90 -1.78 115.95 112.32 1uml h TRP 264 Ca -0.06 0.03 0.11 0.00 -0.00 0.00 0.00 58.89 58.98 1uml h TRP 264 Cb 0.58 -0.22 -0.08 0.00 -0.00 0.00 0.00 29.16 29.44 1uml h TRP 264 CO -0.09 0.21 0.28 1.03 -0.00 0.00 0.00 178.44 179.87 1uml h SER 265 N 0.65 0.29 0.69 2.65 0.87 -1.82 -2.77 113.55 114.11 1uml h SER 265 Ca 0.45 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 61.04 1uml h SER 265 Cb 0.60 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1uml h SER 265 CO -0.34 0.15 -0.27 0.77 -0.53 0.00 0.00 176.83 176.61 1uml h SER 266 N 0.46 0.00 -0.02 6.23 4.64 -0.72 0.96 113.55 125.11 1uml h SER 266 Ca 0.35 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 1uml h SER 266 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1uml h SER 266 CO -0.33 0.27 -0.02 0.22 -0.87 0.00 0.00 176.83 176.10 1uml h TYR 267 N 0.00 0.06 0.00 4.77 5.03 -1.49 0.14 116.97 125.48 1uml h TYR 267 Ca -0.00 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1uml h TYR 267 Cb 0.68 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.95 1uml h TYR 267 CO 0.00 0.52 -0.09 -0.07 -1.32 0.00 0.00 178.16 177.19 1uml h LEU 268 N -0.42 0.00 0.00 2.82 4.07 -0.95 -2.70 115.31 118.13 1uml h LEU 268 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1uml h LEU 268 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1uml h LEU 268 CO 0.00 0.09 -0.91 0.71 -1.08 0.00 0.00 178.44 177.26 1uml h THR 269 N 0.00 0.00 0.00 0.22 1.35 -0.98 -3.14 112.91 110.35 1uml h THR 269 Ca -0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1uml h THR 269 Cb 0.46 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1uml h THR 269 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1uml n GLY 270 N 1.23 1.03 0.34 5.82 0.00 -1.02 -4.75 105.19 107.84 1uml n GLY 270 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1uml n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uml h ALA 271 N 0.00 2.00 -3.32 4.61 0.00 -1.64 -3.38 119.26 117.53 1uml h ALA 271 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1uml h ALA 271 Cb 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 17.38 1uml h ALA 271 CO 0.00 -0.11 -0.86 -0.46 0.00 0.00 0.00 179.25 177.83 1uml s TRP 272 N -5.34 2.26 -0.05 0.00 -0.00 0.43 -4.95 118.94 111.28 1uml s TRP 272 Ca -0.07 -0.98 -0.17 0.00 -0.00 0.00 0.00 56.10 54.88 1uml s TRP 272 Cb 0.19 -1.55 -0.05 0.00 -0.00 0.00 0.00 33.47 32.06 1uml s TRP 272 CO 0.74 -0.43 0.46 0.15 -0.00 0.00 0.00 176.95 177.86 1uml s LYS 273 N 0.59 4.16 0.60 5.86 3.01 -1.26 -4.35 119.74 128.35 1uml s LYS 273 Ca -0.14 0.46 0.31 0.00 -1.01 0.00 0.00 55.97 55.59 1uml s LYS 273 Cb -0.17 -3.33 1.84 0.00 -1.01 0.00 0.00 37.83 35.16 1uml s LYS 273 CO 0.04 0.43 2.23 -1.35 0.51 0.00 0.00 175.35 177.21 1uml h PRO 274 N 5.67 0.00 -1.09 -1.68 0.11 -1.97 -2.73 132.00 130.32 1uml h PRO 274 Ca -0.46 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1uml h PRO 274 Cb 1.20 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 1uml h PRO 274 CO 0.69 0.00 0.23 -0.40 -0.21 0.00 0.00 178.00 178.31 1uml n ASP 275 N -3.75 3.62 -4.08 -2.05 5.68 -1.26 -4.88 116.55 109.83 1uml n ASP 275 Ca -0.02 -2.58 -0.08 0.00 -0.50 0.00 0.00 54.79 51.61 1uml n ASP 275 Cb 0.14 -0.67 -0.10 0.00 -1.14 0.00 0.00 41.12 39.35 1uml n ASP 275 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1uml s THR 276 N -1.17 0.17 -0.41 2.12 2.01 -1.03 -5.11 115.64 112.22 1uml s THR 276 Ca 0.19 -1.77 -0.38 0.00 0.31 0.00 0.00 61.69 60.04 1uml s THR 276 Cb 0.16 -1.68 -0.16 0.00 0.01 0.00 0.00 72.50 70.83 1uml s THR 276 CO 0.03 -0.78 1.40 1.21 -0.69 0.00 0.00 174.62 175.79 1uml n GLU 277 N 0.02 0.00 -2.70 4.92 0.00 -1.26 -4.95 120.64 116.67 1uml n GLU 277 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.63 1uml n GLU 277 Cb 0.62 -1.23 -0.04 0.00 0.00 0.00 0.00 31.44 30.79 1uml n GLU 277 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1uml s HIS 278 N 2.93 3.75 0.55 4.31 5.65 -1.26 -4.93 115.29 126.27 1uml s HIS 278 Ca 0.88 1.75 0.29 0.00 0.25 0.00 0.00 55.06 58.23 1uml s HIS 278 Cb -1.23 -3.10 1.46 0.00 -1.18 0.00 0.00 32.58 28.53 1uml s HIS 278 CO 0.65 0.06 1.92 0.00 -0.65 0.00 0.00 174.74 176.72 1uml h ALA 279 N 5.96 2.61 0.00 1.58 0.00 -1.94 -1.94 119.26 125.53 1uml h ALA 279 Ca -0.42 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1uml h ALA 279 Cb 1.21 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1uml h ALA 279 CO 0.73 -0.89 -0.48 -0.24 0.00 0.00 0.00 179.25 178.37 1uml h VAL 280 N 0.00 1.05 -0.38 0.00 3.04 -1.98 -1.75 116.25 116.22 1uml h VAL 280 Ca 0.33 -1.86 -0.14 0.00 -1.01 0.00 0.00 66.70 64.02 1uml h VAL 280 Cb 1.39 2.10 -0.01 0.00 -2.01 0.00 0.00 31.29 32.76 1uml h VAL 280 CO -0.00 0.47 -0.32 0.16 -1.01 0.00 0.00 177.57 176.87 1uml h ILE 281 N 0.00 1.28 -0.74 3.17 -0.00 -1.75 0.34 117.51 119.81 1uml h ILE 281 Ca -0.00 -1.48 0.09 0.00 -0.00 0.00 0.00 64.86 63.46 1uml h ILE 281 Cb 1.06 1.32 -0.07 0.00 -0.00 0.00 0.00 36.82 39.13 1uml h ILE 281 CO 0.06 0.49 0.39 -0.09 -0.00 0.00 0.00 178.15 179.00 1uml h ARG 282 N 0.72 0.64 -0.43 0.16 9.65 -1.56 0.18 114.38 123.74 1uml h ARG 282 Ca 0.07 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.85 1uml h ARG 282 Cb 0.88 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.30 1uml h ARG 282 CO 0.08 0.42 -0.01 0.74 2.80 0.00 0.00 179.97 184.00 1uml h PHE 283 N 0.66 0.74 0.19 2.20 0.04 -0.78 0.13 116.94 120.11 1uml h PHE 283 Ca 0.36 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 1uml h PHE 283 Cb 0.36 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1uml h PHE 283 CO -0.09 0.70 -0.09 -0.22 -0.60 0.00 0.00 178.31 178.01 1uml h LYS 284 N 0.66 -0.25 -0.61 1.51 3.64 0.50 0.89 116.57 122.91 1uml h LYS 284 Ca 0.13 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1uml h LYS 284 Cb 0.42 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1uml h LYS 284 CO 0.02 -0.10 0.40 -0.91 -2.27 0.00 0.00 179.45 176.59 1uml h ASN 285 N -0.35 0.68 0.28 4.20 2.35 -0.51 -2.12 115.58 120.10 1uml h ASN 285 Ca -0.03 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1uml h ASN 285 Cb 0.27 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1uml h ASN 285 CO 0.04 0.48 -0.08 0.47 -1.65 0.00 0.00 177.43 176.70 1uml n ASP 286 N -4.45 0.51 -3.44 5.81 10.43 0.43 -4.92 116.55 120.92 1uml n ASP 286 Ca 0.06 -0.71 -0.24 0.00 2.57 0.00 0.00 54.79 56.47 1uml n ASP 286 Cb 0.06 -0.06 0.07 0.00 1.84 0.00 0.00 41.12 43.03 1uml n ASP 286 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1uml n GLN 287 N -0.85 -7.21 -2.15 -1.24 6.02 -0.70 -4.98 117.38 106.26 1uml n GLN 287 Ca 0.16 0.85 -0.36 0.00 -0.01 0.00 0.00 57.00 57.64 1uml n GLN 287 Cb 0.26 -5.85 0.01 0.00 1.02 0.00 0.00 30.24 25.68 1uml n GLN 287 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1uml s VAL 288 N -3.29 2.92 -0.83 5.09 1.01 0.22 -4.95 120.40 120.58 1uml s VAL 288 Ca 0.52 0.59 -0.25 0.00 0.00 0.00 0.00 61.98 62.84 1uml s VAL 288 Cb -0.23 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1uml s VAL 288 CO 0.64 -0.10 1.62 0.21 0.00 0.00 0.00 175.10 177.46 1uml s ASN 289 N -1.61 5.81 0.21 3.32 2.47 -1.26 -4.89 114.94 118.99 1uml s ASN 289 Ca 0.73 -0.60 0.01 0.00 0.42 0.00 0.00 52.86 53.42 1uml s ASN 289 Cb -0.28 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 36.92 1uml s ASN 289 CO 0.31 -2.09 0.07 -0.72 -3.72 0.00 0.00 177.10 170.95 1uml s TYR 290 N 7.32 1.33 0.26 0.43 1.13 -1.26 -0.51 117.35 126.05 1uml s TYR 290 Ca 0.54 -1.16 0.04 0.00 -1.41 0.00 0.00 57.07 55.07 1uml s TYR 290 Cb -0.07 -0.75 -0.06 0.00 -1.10 0.00 0.00 41.96 39.99 1uml s TYR 290 CO 0.06 -0.36 0.02 -1.54 -2.51 0.00 0.00 175.55 171.22 1uml s SER 291 N -3.23 1.99 -0.12 -0.18 1.04 0.52 -4.54 113.70 109.18 1uml s SER 291 Ca 0.33 -1.27 0.01 0.00 0.48 0.00 0.00 55.95 55.49 1uml s SER 291 Cb 0.07 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 1uml s SER 291 CO 0.09 -0.54 -0.16 -0.76 0.98 0.00 0.00 173.24 172.85 1uml s LEU 292 N -3.37 2.53 0.11 2.42 1.02 -1.26 -1.41 118.68 118.73 1uml s LEU 292 Ca 0.32 -0.39 -0.12 0.00 0.02 0.00 0.00 54.13 53.95 1uml s LEU 292 Cb 0.06 -1.55 0.02 0.00 0.02 0.00 0.00 46.19 44.74 1uml s LEU 292 CO 0.11 0.17 0.29 0.20 0.02 0.00 0.00 176.35 177.15 1uml s ASN 293 N 0.31 -0.06 -0.13 2.29 0.01 -0.53 -4.71 114.94 112.13 1uml s ASN 293 Ca -0.13 -0.48 0.19 0.00 -0.71 0.00 0.00 52.86 51.73 1uml s ASN 293 Cb -0.16 0.41 -0.27 0.00 0.41 0.00 0.00 41.25 41.63 1uml s ASN 293 CO 0.07 -0.79 0.25 1.07 -1.51 0.00 0.00 177.10 176.18 1uml n THR 294 N -0.14 0.98 0.00 1.60 5.66 -1.23 -4.23 114.28 116.92 1uml n THR 294 Ca -0.16 -0.74 0.00 0.00 -3.05 0.00 0.00 64.05 60.10 1uml n THR 294 Cb 0.63 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 1uml n THR 294 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1uml n ASP 295 N -2.62 0.00 -3.56 1.09 4.64 -0.96 -4.19 116.55 110.94 1uml n ASP 295 Ca -0.23 0.00 -0.28 0.00 -1.38 0.00 0.00 54.79 52.90 1uml n ASP 295 Cb 0.97 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 40.93 1uml n ASP 295 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 1uml s ASP 296 N -4.00 2.82 0.50 1.67 1.01 -1.26 -0.96 116.67 116.45 1uml s ASP 296 Ca 0.00 -2.86 0.18 0.00 0.71 0.00 0.00 52.55 50.58 1uml s ASP 296 Cb 0.00 -0.75 1.25 0.00 1.01 0.00 0.00 42.92 44.43 1uml s ASP 296 CO 0.00 -0.21 2.09 1.55 0.21 0.00 0.00 175.17 178.81 1uml h PRO 297 N 6.20 0.00 0.75 8.23 0.13 -1.64 0.21 132.00 145.88 1uml h PRO 297 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 1uml h PRO 297 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1uml h PRO 297 CO 0.42 0.09 -0.44 1.25 -0.23 0.00 0.00 178.00 179.09 1uml h LEU 298 N 0.00 -1.10 -0.66 1.56 6.46 -1.38 -1.56 115.31 118.63 1uml h LEU 298 Ca -0.00 0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.71 1uml h LEU 298 Cb 0.16 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1uml h LEU 298 CO 0.01 -0.69 -0.53 0.40 -0.62 0.00 0.00 178.44 177.02 1uml h ILE 299 N -1.10 1.12 -0.62 4.05 2.04 -1.64 -3.05 117.51 118.31 1uml h ILE 299 Ca -0.10 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.77 1uml h ILE 299 Cb 0.88 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1uml h ILE 299 CO 0.12 0.52 0.00 0.49 0.00 0.00 0.00 178.15 179.27 1uml n PHE 300 N -3.54 1.51 -3.91 1.37 3.72 0.70 -0.63 117.46 116.68 1uml n PHE 300 Ca -0.00 -0.59 -0.31 0.00 -0.05 0.00 0.00 57.45 56.50 1uml n PHE 300 Cb 0.62 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1uml n PHE 300 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1uml n LYS 301 N 1.04 -1.98 -3.89 -1.08 5.02 -0.92 -4.91 118.16 111.46 1uml n LYS 301 Ca 0.25 0.35 -0.09 0.00 -2.02 0.00 0.00 58.31 56.80 1uml n LYS 301 Cb 0.90 -4.03 -0.07 0.00 -0.02 0.00 0.00 35.03 31.80 1uml n LYS 301 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1uml s SER 302 N -3.95 0.11 0.44 4.39 1.04 -0.64 -5.07 113.70 110.03 1uml s SER 302 Ca 0.23 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.98 1uml s SER 302 Cb -0.10 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 1uml s SER 302 CO 0.90 -0.76 0.09 0.42 0.98 0.00 0.00 173.24 174.87 1uml s THR 303 N -3.89 0.76 0.55 2.02 -4.23 -1.26 -4.58 115.64 105.01 1uml s THR 303 Ca 0.08 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.83 1uml s THR 303 Cb 0.05 -2.29 0.35 0.00 1.34 0.00 0.00 72.50 71.95 1uml s THR 303 CO -0.08 0.00 2.07 -0.07 -0.54 0.00 0.00 174.62 175.99 1uml h LEU 304 N 1.65 0.00 -1.27 4.79 3.38 -1.97 -0.16 115.31 121.73 1uml h LEU 304 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1uml h LEU 304 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1uml h LEU 304 CO 0.62 0.00 0.00 -0.78 0.09 0.00 0.00 178.44 178.37 1uml h ASP 305 N 0.00 0.00 -0.44 -0.43 3.58 -1.95 -2.00 116.42 115.18 1uml h ASP 305 Ca 0.14 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1uml h ASP 305 Cb 0.60 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 1uml h ASP 305 CO -0.00 0.00 0.25 0.74 -2.88 0.00 0.00 179.24 177.35 1uml h THR 306 N 0.00 1.15 -0.52 2.25 2.02 -1.40 -0.16 112.91 116.25 1uml h THR 306 Ca 0.00 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 1uml h THR 306 Cb 0.52 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1uml h THR 306 CO 0.00 0.16 -0.08 0.44 0.37 0.00 0.00 175.52 176.41 1uml h ASP 307 N 0.58 0.97 -0.51 4.18 5.19 -1.46 -1.44 116.42 123.94 1uml h ASP 307 Ca 0.16 -0.34 -0.11 0.00 -0.62 0.00 0.00 57.03 56.11 1uml h ASP 307 Cb 0.03 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 1uml h ASP 307 CO -0.03 1.09 -0.12 1.88 -3.12 0.00 0.00 179.24 178.94 1uml h TYR 308 N 0.84 1.11 0.42 4.55 -1.99 -1.41 -2.53 116.97 117.97 1uml h TYR 308 Ca 0.14 -0.24 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 1uml h TYR 308 Cb 0.64 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1uml h TYR 308 CO 0.05 1.05 -0.20 0.37 -0.00 0.00 0.00 178.16 179.42 1uml h GLN 309 N 0.85 -0.55 -0.54 4.88 5.75 -0.93 -0.05 115.11 124.52 1uml h GLN 309 Ca 0.13 0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.77 1uml h GLN 309 Cb 0.69 0.12 -0.08 0.00 1.07 0.00 0.00 27.48 29.28 1uml h GLN 309 CO 0.05 -0.36 0.05 1.98 -2.65 0.00 0.00 178.83 177.90 1uml h MET 310 N -0.57 0.17 -0.07 1.69 4.05 -1.31 0.64 114.93 119.53 1uml h MET 310 Ca -0.06 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.27 1uml h MET 310 Cb 0.44 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1uml h MET 310 CO 0.10 0.11 -0.34 1.79 0.23 0.00 0.00 176.91 178.80 1uml h THR 311 N 0.17 1.26 -0.01 -0.77 1.35 -1.35 -0.37 112.91 113.19 1uml h THR 311 Ca 0.28 -1.26 -0.24 0.00 -0.55 0.00 0.00 66.41 64.64 1uml h THR 311 Cb 0.42 1.59 0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1uml h THR 311 CO -0.42 0.37 -0.96 0.50 -0.25 0.00 0.00 175.52 174.77 1uml h LYS 312 N 0.12 0.54 0.22 4.72 3.64 0.12 -0.91 116.57 125.02 1uml h LYS 312 Ca 0.01 -0.57 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1uml h LYS 312 Cb 0.65 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1uml h LYS 312 CO 0.05 1.19 -0.11 0.87 -2.27 0.00 0.00 179.45 179.18 1uml h LYS 313 N 0.32 -0.29 -0.00 1.90 1.79 0.33 -3.28 116.57 117.34 1uml h LYS 313 Ca -0.09 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1uml h LYS 313 Cb 1.60 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 1uml h LYS 313 CO 0.18 -0.19 -0.22 -0.25 -1.08 0.00 0.00 179.45 177.88 1uml n ASP 314 N -3.80 0.27 0.00 0.86 8.00 -0.16 -3.96 116.55 117.76 1uml n ASP 314 Ca -0.04 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1uml n ASP 314 Cb 0.12 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1uml n ASP 314 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1uml n MET 315 N -1.44 1.67 -2.18 -1.24 2.81 -0.91 -5.00 117.12 110.83 1uml n MET 315 Ca 0.07 -1.08 -0.19 0.00 -1.81 0.00 0.00 57.70 54.69 1uml n MET 315 Cb 0.33 -0.88 -0.02 0.00 -0.71 0.00 0.00 33.22 31.94 1uml n MET 315 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1uml n GLY 316 N -0.30 0.07 3.76 3.03 0.00 -1.02 -4.94 105.19 105.80 1uml n GLY 316 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1uml n GLY 316 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uml s PHE 317 N -2.89 3.32 0.41 1.61 0.40 -0.40 -4.99 117.98 115.44 1uml s PHE 317 Ca 0.00 1.56 0.08 0.00 -0.60 0.00 0.00 56.93 57.97 1uml s PHE 317 Cb 0.00 -3.48 -0.02 0.00 0.51 0.00 0.00 43.02 40.04 1uml s PHE 317 CO 0.00 -1.18 0.39 -0.08 0.70 0.00 0.00 175.22 175.05 1uml s THR 318 N -1.14 2.82 0.53 0.64 -1.32 -1.26 -4.52 115.64 111.39 1uml s THR 318 Ca 0.47 -1.30 0.18 0.00 -1.21 0.00 0.00 61.69 59.83 1uml s THR 318 Cb -0.36 -3.03 0.28 0.00 -1.51 0.00 0.00 72.50 67.89 1uml s THR 318 CO 0.47 -0.02 2.16 -0.33 -2.21 0.00 0.00 174.62 174.68 1uml h GLU 319 N 1.00 0.00 -0.45 7.08 3.07 -1.95 -2.34 114.58 120.99 1uml h GLU 319 Ca -0.42 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.33 1uml h GLU 319 Cb 1.27 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 1uml h GLU 319 CO 0.56 0.01 -0.17 0.93 -1.40 0.00 0.00 179.01 178.94 1uml h GLU 320 N 0.00 0.91 -0.42 2.33 3.07 -1.99 -1.92 114.58 116.55 1uml h GLU 320 Ca -0.00 -0.37 -0.13 0.00 -0.50 0.00 0.00 59.36 58.35 1uml h GLU 320 Cb 0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1uml h GLU 320 CO 0.00 1.03 -0.26 1.49 -1.40 0.00 0.00 179.01 179.87 1uml h GLU 321 N 0.74 0.89 -1.01 2.33 4.57 -1.91 -1.59 114.58 118.60 1uml h GLU 321 Ca 0.11 -0.39 0.12 0.00 -1.18 0.00 0.00 59.36 58.02 1uml h GLU 321 Cb 0.73 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.21 1uml h GLU 321 CO 0.06 1.04 0.63 0.74 -1.18 0.00 0.00 179.01 180.30 1uml h PHE 322 N 0.76 1.15 -0.30 0.92 0.05 -1.37 -1.27 116.94 116.88 1uml h PHE 322 Ca 0.09 0.03 -0.14 0.00 3.82 0.00 0.00 57.97 61.78 1uml h PHE 322 Cb 0.81 -0.36 -0.00 0.00 2.00 0.00 0.00 35.95 38.40 1uml h PHE 322 CO 0.05 0.45 -0.35 0.87 -0.18 0.00 0.00 178.31 179.15 1uml h LYS 323 N 1.00 0.77 0.00 1.51 1.57 -0.99 -2.88 116.57 117.54 1uml h LYS 323 Ca 0.50 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1uml h LYS 323 Cb 0.50 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1uml h LYS 323 CO -0.27 1.05 -0.21 0.07 -0.57 0.00 0.00 179.45 179.53 1uml h ARG 324 N 0.53 0.00 -0.29 3.15 0.11 -0.77 -2.25 114.38 114.85 1uml h ARG 324 Ca 0.04 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.05 1uml h ARG 324 Cb 0.94 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 1uml h ARG 324 CO 0.08 0.21 -0.11 1.25 0.10 0.00 0.00 179.97 181.50 1uml h LEU 325 N 0.00 0.61 -0.81 0.08 6.46 -1.27 0.35 115.31 120.72 1uml h LEU 325 Ca -0.00 -0.39 -0.12 0.00 -0.12 0.00 0.00 57.88 57.25 1uml h LEU 325 Cb 0.88 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 1uml h LEU 325 CO 0.03 0.86 -0.58 0.78 -0.62 0.00 0.00 178.44 178.91 1uml h ASN 326 N 0.35 0.00 -0.25 1.25 2.35 -1.46 -0.24 115.58 117.58 1uml h ASN 326 Ca 0.07 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1uml h ASN 326 Cb 0.62 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1uml h ASN 326 CO 0.04 0.58 -0.09 0.40 -1.65 0.00 0.00 177.43 176.71 1uml h ILE 327 N 0.00 1.29 -0.88 2.81 2.04 -1.26 -1.62 117.51 119.89 1uml h ILE 327 Ca -0.01 -1.13 0.15 0.00 1.00 0.00 0.00 64.86 64.87 1uml h ILE 327 Cb 1.05 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 38.57 1uml h ILE 327 CO 0.08 0.35 0.57 0.78 0.00 0.00 0.00 178.15 179.93 1uml h ASN 328 N 0.23 0.61 0.54 1.72 2.35 -0.11 -0.89 115.58 120.03 1uml h ASN 328 Ca 0.06 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 1uml h ASN 328 Cb 0.57 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1uml h ASN 328 CO 0.03 0.30 -0.61 0.00 -1.65 0.00 0.00 177.43 175.50 1uml h ALA 329 N 1.61 0.94 -0.12 -0.83 0.00 -0.96 -0.94 119.26 118.96 1uml h ALA 329 Ca 0.45 -0.56 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 1uml h ALA 329 Cb 0.78 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1uml h ALA 329 CO -0.20 0.76 -0.80 0.00 0.00 0.00 0.00 179.25 179.00 1uml h ALA 330 N 1.33 0.26 -0.89 0.00 0.00 -0.39 -2.33 119.26 117.23 1uml h ALA 330 Ca -0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1uml h ALA 330 Cb 1.10 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1uml h ALA 330 CO 0.08 0.66 0.55 0.87 0.00 0.00 0.00 179.25 181.41 1uml h LYS 331 N 0.48 1.21 -0.15 0.00 1.57 -1.19 -3.00 116.57 115.48 1uml h LYS 331 Ca -0.07 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1uml h LYS 331 Cb 1.44 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1uml h LYS 331 CO 0.16 0.84 0.00 0.43 -0.57 0.00 0.00 179.45 180.31 1uml n SER 332 N -4.37 1.44 -4.68 0.86 7.64 -0.36 -4.93 113.62 109.22 1uml n SER 332 Ca 0.10 -1.69 -0.30 0.00 1.01 0.00 0.00 58.87 57.99 1uml n SER 332 Cb 0.05 -0.10 0.15 0.00 -1.01 0.00 0.00 64.21 63.31 1uml n SER 332 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uml s SER 333 N -1.53 3.13 -0.46 6.43 1.04 -0.88 -4.94 113.70 116.49 1uml s SER 333 Ca 0.31 1.76 0.02 0.00 0.48 0.00 0.00 55.95 58.51 1uml s SER 333 Cb 0.16 -2.37 0.56 0.00 0.10 0.00 0.00 66.02 64.47 1uml s SER 333 CO 0.25 -2.89 1.89 0.49 0.98 0.00 0.00 173.24 173.95 1uml n PHE 334 N -4.07 2.84 -2.78 5.02 3.72 -1.26 -4.94 117.46 115.99 1uml n PHE 334 Ca 0.08 -2.04 -0.34 0.00 -0.05 0.00 0.00 57.45 55.10 1uml n PHE 334 Cb 0.54 -1.02 -0.06 0.00 -0.94 0.00 0.00 39.48 37.99 1uml n PHE 334 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1uml s LEU 335 N -3.14 4.06 0.94 4.37 2.01 -1.26 -4.92 118.68 120.74 1uml s LEU 335 Ca 0.54 1.76 -0.11 0.00 0.01 0.00 0.00 54.13 56.33 1uml s LEU 335 Cb 0.44 -4.38 0.09 0.00 0.01 0.00 0.00 46.19 42.36 1uml s LEU 335 CO 0.07 -0.31 0.76 -2.65 1.01 0.00 0.00 176.35 175.22 1uml n PRO 336 N -0.30 -0.41 0.20 1.29 -0.02 -1.26 -4.67 135.00 129.83 1uml n PRO 336 Ca 0.06 -0.07 0.07 0.00 -2.02 0.00 0.00 63.50 61.54 1uml n PRO 336 Cb 0.53 -2.10 0.40 0.00 -0.02 0.00 0.00 33.50 32.30 1uml n PRO 336 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1uml h GLU 337 N -1.74 0.00 -0.35 -0.52 5.08 -1.98 -0.50 114.58 114.57 1uml h GLU 337 Ca -0.43 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1uml h GLU 337 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1uml h GLU 337 CO 0.38 0.33 -0.00 0.38 -1.00 0.00 0.00 179.01 179.09 1uml h ASP 338 N 0.00 0.61 0.46 1.42 -0.00 -2.00 -1.19 116.42 115.71 1uml h ASP 338 Ca -0.00 -0.31 -0.08 0.00 -0.00 0.00 0.00 57.03 56.64 1uml h ASP 338 Cb 0.79 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.95 1uml h ASP 338 CO 0.04 0.77 -0.37 -0.33 -0.00 0.00 0.00 179.24 179.35 1uml h GLU 339 N 0.43 0.00 -0.21 4.15 5.08 -1.88 -2.35 114.58 119.79 1uml h GLU 339 Ca 0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1uml h GLU 339 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1uml h GLU 339 CO 0.02 0.37 -0.36 -0.22 -1.00 0.00 0.00 179.01 177.82 1uml h LYS 340 N 0.00 0.44 -0.49 2.33 3.64 -0.95 -2.20 116.57 119.34 1uml h LYS 340 Ca -0.00 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.05 1uml h LYS 340 Cb 0.70 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1uml h LYS 340 CO 0.05 0.74 -0.17 0.87 -2.27 0.00 0.00 179.45 178.67 1uml h LYS 341 N 0.38 0.97 -0.33 1.90 1.79 -0.82 -1.62 116.57 118.83 1uml h LYS 341 Ca 0.04 -0.38 0.05 0.00 -2.18 0.00 0.00 60.65 58.18 1uml h LYS 341 Cb 0.80 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.36 1uml h LYS 341 CO 0.06 1.05 0.06 0.93 -1.08 0.00 0.00 179.45 180.48 1uml h GLU 342 N 0.85 0.17 -0.26 3.15 5.08 -1.38 -0.87 114.58 121.32 1uml h GLU 342 Ca 0.12 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1uml h GLU 342 Cb 0.73 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1uml h GLU 342 CO 0.06 0.11 0.04 1.25 -1.00 0.00 0.00 179.01 179.47 1uml h LEU 343 N 0.17 -0.01 -0.49 1.33 5.85 -1.37 -1.47 115.31 119.32 1uml h LEU 343 Ca 0.16 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.02 1uml h LEU 343 Cb 0.18 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.17 1uml h LEU 343 CO -0.21 0.03 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.66 1uml h LEU 344 N 0.14 -0.66 -0.42 2.25 -0.00 -1.01 -1.99 115.31 113.62 1uml h LEU 344 Ca 0.12 0.17 0.04 0.00 -0.00 0.00 0.00 57.88 58.21 1uml h LEU 344 Cb 0.13 0.38 -0.04 0.00 -0.00 0.00 0.00 40.66 41.12 1uml h LEU 344 CO -0.16 -0.22 0.18 -0.78 -0.00 0.00 0.00 178.44 177.45 1uml h ASP 345 N -0.08 0.23 -0.61 -0.43 1.82 -1.00 0.14 116.42 116.49 1uml h ASP 345 Ca 0.23 0.03 0.11 0.00 -0.39 0.00 0.00 57.03 57.02 1uml h ASP 345 Cb 0.44 -0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.36 1uml h ASP 345 CO -0.54 0.17 0.17 0.25 -1.61 0.00 0.00 179.24 177.67 1uml h LEU 346 N 0.37 0.08 -0.57 2.28 6.46 -0.79 -2.43 115.31 120.70 1uml h LEU 346 Ca 0.19 0.10 -0.16 0.00 -0.12 0.00 0.00 57.88 57.90 1uml h LEU 346 Cb 0.14 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1uml h LEU 346 CO -0.16 0.04 -0.59 -0.07 -0.62 0.00 0.00 178.44 177.04 1uml h LEU 347 N 0.31 0.45 -1.12 2.25 4.07 -0.88 -1.00 115.31 119.38 1uml h LEU 347 Ca 0.32 -0.25 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 1uml h LEU 347 Cb 0.46 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 1uml h LEU 347 CO -0.38 0.94 0.13 1.88 -1.08 0.00 0.00 178.44 179.93 1uml h TYR 348 N 0.30 0.77 0.09 1.13 0.99 -0.39 -0.98 116.97 118.89 1uml h TYR 348 Ca -0.00 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 1uml h TYR 348 Cb 1.12 -0.23 0.00 0.00 1.00 0.00 0.00 36.73 38.62 1uml h TYR 348 CO 0.04 0.64 -0.05 0.87 -0.00 0.00 0.00 178.16 179.66 1uml h LYS 349 N 0.73 -0.12 -1.01 4.88 1.57 -1.32 -2.73 116.57 118.56 1uml h LYS 349 Ca 0.17 0.01 0.28 0.00 -1.87 0.00 0.00 60.65 59.23 1uml h LYS 349 Cb 0.25 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.46 1uml h LYS 349 CO -0.00 0.40 0.60 0.00 -0.57 0.00 0.00 179.45 179.87 1uml h ALA 350 N -0.20 1.89 -0.00 3.86 0.00 -1.24 -1.44 119.26 122.13 1uml h ALA 350 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1uml h ALA 350 Cb 0.58 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1uml h ALA 350 CO 0.02 -0.41 -0.17 0.66 0.00 0.00 0.00 179.25 179.35 1uml n TYR 351 N -4.92 0.00 0.15 0.00 0.53 -0.37 -4.96 117.16 107.59 1uml n TYR 351 Ca 0.29 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 57.18 1uml n TYR 351 Cb 0.85 -0.31 0.01 0.00 -1.03 0.00 0.00 39.34 38.86 1uml n TYR 351 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38