#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya8 s SER 22 N 0.00 0.72 0.38 4.04 0.15 -1.26 -5.13 113.70 112.60 1ya8 s SER 22 Ca 0.00 -0.27 -0.26 0.00 0.70 0.00 0.00 55.95 56.13 1ya8 s SER 22 Cb 0.00 -0.03 -0.12 0.00 -1.71 0.00 0.00 66.02 64.16 1ya8 s SER 22 CO 0.00 -0.03 1.04 -2.65 1.20 0.00 0.00 173.24 172.80 1ya8 n PRO 23 N 2.39 1.45 -2.11 5.44 -0.02 -1.26 -4.90 135.00 135.99 1ya8 n PRO 23 Ca -0.17 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.42 1ya8 n PRO 23 Cb 0.57 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 1ya8 n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ya8 s PRO 24 N -1.87 4.33 -0.17 0.52 0.02 -1.26 -4.84 135.00 131.73 1ya8 s PRO 24 Ca 0.61 2.19 -0.01 0.00 0.02 0.00 0.00 61.00 63.81 1ya8 s PRO 24 Cb -0.60 -3.14 0.04 0.00 0.02 0.00 0.00 34.50 30.82 1ya8 s PRO 24 CO 0.58 -0.33 -0.04 0.08 -0.33 0.00 0.00 177.00 176.96 1ya8 s VAL 25 N -0.02 1.03 -0.05 3.83 1.01 -1.26 0.05 120.40 124.99 1ya8 s VAL 25 Ca 0.58 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1ya8 s VAL 25 Cb -0.39 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1ya8 s VAL 25 CO 0.41 0.10 -0.02 -0.69 0.00 0.00 0.00 175.10 174.90 1ya8 s VAL 26 N 1.66 4.10 -0.32 2.92 1.01 -0.06 -4.92 120.40 124.78 1ya8 s VAL 26 Ca 0.01 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1ya8 s VAL 26 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1ya8 s VAL 26 CO -0.08 0.53 0.25 -0.62 0.00 0.00 0.00 175.10 175.19 1ya8 s ASP 27 N -1.09 6.08 0.18 3.32 -1.08 -1.26 -0.10 116.67 122.72 1ya8 s ASP 27 Ca 0.15 -0.26 0.03 0.00 -0.52 0.00 0.00 52.55 51.94 1ya8 s ASP 27 Cb -0.11 -2.15 0.03 0.00 -1.46 0.00 0.00 42.92 39.23 1ya8 s ASP 27 CO 0.05 -0.21 0.23 0.35 0.52 0.00 0.00 175.17 176.11 1ya8 n THR 28 N 5.12 0.00 -0.10 1.71 -2.24 -0.87 -4.83 114.28 113.07 1ya8 n THR 28 Ca -0.12 -0.60 -0.14 0.00 -2.27 0.00 0.00 64.05 60.91 1ya8 n THR 28 Cb 0.50 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.90 1ya8 n THR 28 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ya8 h VAL 29 N 0.09 1.28 -0.00 2.28 2.07 -1.95 -3.19 116.25 116.83 1ya8 h VAL 29 Ca -0.09 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.81 1ya8 h VAL 29 Cb 0.38 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1ya8 h VAL 29 CO 0.12 0.54 -0.02 1.41 0.02 0.00 0.00 177.57 179.64 1ya8 n HIS 30 N -4.07 0.00 0.00 1.57 8.25 -1.26 -5.00 115.22 114.71 1ya8 n HIS 30 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1ya8 n HIS 30 Cb 0.58 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1ya8 n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ya8 n GLY 31 N 1.12 2.89 3.76 -1.41 0.00 -1.21 -0.35 105.19 110.00 1ya8 n GLY 31 Ca 0.20 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 1ya8 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ya8 s LYS 32 N -1.87 4.74 0.03 1.61 1.02 -1.23 -2.05 119.74 121.99 1ya8 s LYS 32 Ca 0.00 1.54 0.09 0.00 0.02 0.00 0.00 55.97 57.61 1ya8 s LYS 32 Cb 0.00 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1ya8 s LYS 32 CO 0.00 0.39 -0.25 0.14 -0.92 0.00 0.00 175.35 174.71 1ya8 s VAL 33 N -1.26 2.00 -0.20 3.17 -7.23 0.86 -0.15 120.40 117.59 1ya8 s VAL 33 Ca 0.44 -1.29 -0.04 0.00 -1.81 0.00 0.00 61.98 59.28 1ya8 s VAL 33 Cb -0.26 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 1ya8 s VAL 33 CO 0.33 0.36 -0.03 -0.22 -0.31 0.00 0.00 175.10 175.22 1ya8 s LEU 34 N -1.12 3.08 0.00 1.32 1.98 0.19 -0.89 118.68 123.25 1ya8 s LEU 34 Ca 0.10 -0.27 0.00 0.00 -2.89 0.00 0.00 54.13 51.07 1ya8 s LEU 34 Cb -0.10 -1.77 0.00 0.00 0.66 0.00 0.00 46.19 44.98 1ya8 s LEU 34 CO 0.02 0.06 0.00 0.61 -1.89 0.00 0.00 176.35 175.14 1ya8 n GLY 35 N 4.30 5.00 3.10 7.98 0.00 0.11 -1.04 105.19 124.64 1ya8 n GLY 35 Ca -0.18 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 1ya8 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ya8 s LYS 36 N 2.10 0.41 0.14 1.61 -2.85 -0.50 -4.10 119.74 116.55 1ya8 s LYS 36 Ca 0.00 -0.16 -0.17 0.00 -1.00 0.00 0.00 55.97 54.64 1ya8 s LYS 36 Cb 0.00 0.18 -0.07 0.00 -2.06 0.00 0.00 37.83 35.88 1ya8 s LYS 36 CO 0.00 -0.09 0.59 -0.06 0.10 0.00 0.00 175.35 175.89 1ya8 s PHE 37 N -0.88 3.68 -0.08 1.78 0.40 -1.26 -0.35 117.98 121.26 1ya8 s PHE 37 Ca -0.10 1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 57.40 1ya8 s PHE 37 Cb -0.05 -2.46 0.05 0.00 0.51 0.00 0.00 43.02 41.06 1ya8 s PHE 37 CO 0.01 0.46 0.16 0.08 0.70 0.00 0.00 175.22 176.64 1ya8 s VAL 38 N -1.37 -0.25 0.23 -0.44 1.01 0.20 -4.95 120.40 114.83 1ya8 s VAL 38 Ca 0.36 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.55 1ya8 s VAL 38 Cb -0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 35.84 1ya8 s VAL 38 CO 0.20 0.14 0.61 -0.44 0.00 0.00 0.00 175.10 175.60 1ya8 s SER 39 N 2.19 6.76 -0.06 3.32 0.01 -1.26 -0.91 113.70 123.74 1ya8 s SER 39 Ca 0.02 1.09 0.02 0.00 1.31 0.00 0.00 55.95 58.40 1ya8 s SER 39 Cb -0.12 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.83 1ya8 s SER 39 CO -0.06 -0.04 -0.12 -0.22 0.41 0.00 0.00 173.24 173.21 1ya8 s LEU 40 N -2.52 1.66 -0.21 2.44 2.96 -1.26 -4.98 118.68 116.77 1ya8 s LEU 40 Ca 0.46 -0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 53.89 1ya8 s LEU 40 Cb -0.13 -0.79 -0.08 0.00 0.50 0.00 0.00 46.19 45.69 1ya8 s LEU 40 CO 0.20 0.04 0.74 1.21 -1.32 0.00 0.00 176.35 177.22 1ya8 n GLU 41 N 3.72 0.00 -0.72 1.98 4.07 -1.26 -0.90 120.64 127.53 1ya8 n GLU 41 Ca -0.22 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.88 1ya8 n GLU 41 Cb 0.52 -0.62 0.00 0.00 -0.06 0.00 0.00 31.44 31.28 1ya8 n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ya8 n GLY 42 N 2.14 0.62 2.76 8.31 0.00 -1.26 -5.04 105.19 112.72 1ya8 n GLY 42 Ca 0.16 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1ya8 n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ya8 s PHE 43 N -2.00 0.98 0.02 1.61 0.40 -0.08 -5.05 117.98 113.87 1ya8 s PHE 43 Ca 0.00 -0.67 -0.09 0.00 -0.60 0.00 0.00 56.93 55.58 1ya8 s PHE 43 Cb 0.00 -0.99 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 1ya8 s PHE 43 CO 0.00 -0.53 1.13 0.00 0.70 0.00 0.00 175.22 176.53 1ya8 h ALA 44 N 8.26 -0.74 -2.37 5.36 0.00 -1.97 -3.40 119.26 124.41 1ya8 h ALA 44 Ca -0.18 -0.03 -0.54 0.00 0.00 0.00 0.00 54.91 54.16 1ya8 h ALA 44 Cb 1.12 0.48 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1ya8 h ALA 44 CO 0.32 -0.76 1.11 -1.14 0.00 0.00 0.00 179.25 178.78 1ya8 s GLN 45 N -3.68 4.17 0.48 0.00 2.00 -1.26 -4.97 119.66 116.41 1ya8 s GLN 45 Ca -0.04 2.39 -0.21 0.00 -2.00 0.00 0.00 55.36 55.50 1ya8 s GLN 45 Cb 0.01 -3.89 -0.08 0.00 0.80 0.00 0.00 33.01 29.85 1ya8 s GLN 45 CO 0.15 -0.85 1.08 -1.25 -0.50 0.00 0.00 175.29 173.92 1ya8 s PRO 46 N 3.65 3.73 0.02 1.67 0.04 -1.26 -4.83 135.00 138.02 1ya8 s PRO 46 Ca 0.79 1.50 -0.23 0.00 0.04 0.00 0.00 61.00 63.10 1ya8 s PRO 46 Cb -0.39 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 1ya8 s PRO 46 CO 0.35 -0.51 0.70 0.08 0.04 0.00 0.00 177.00 177.66 1ya8 s VAL 47 N -1.82 4.82 -0.35 -0.36 1.01 -0.09 -4.80 120.40 118.81 1ya8 s VAL 47 Ca 0.67 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 63.94 1ya8 s VAL 47 Cb -0.21 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 1ya8 s VAL 47 CO 0.25 0.37 0.57 0.00 0.00 0.00 0.00 175.10 176.29 1ya8 s ALA 48 N -0.03 3.48 -0.11 5.51 0.00 -0.79 -0.63 121.76 129.20 1ya8 s ALA 48 Ca 0.36 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 1ya8 s ALA 48 Cb -0.19 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1ya8 s ALA 48 CO 0.21 -1.24 0.01 0.42 0.00 0.00 0.00 175.76 175.16 1ya8 s ILE 49 N 2.53 4.38 -0.12 0.00 1.01 0.52 -2.31 121.20 127.22 1ya8 s ILE 49 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1ya8 s ILE 49 Cb -0.15 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1ya8 s ILE 49 CO 0.14 0.58 -0.11 -0.36 0.00 0.00 0.00 174.94 175.19 1ya8 s PHE 50 N -0.61 1.72 -0.14 3.97 0.40 -0.14 -1.41 117.98 121.76 1ya8 s PHE 50 Ca 0.10 -0.87 -0.02 0.00 -0.60 0.00 0.00 56.93 55.55 1ya8 s PHE 50 Cb -0.12 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 1ya8 s PHE 50 CO 0.02 -0.53 -0.09 -0.51 0.70 0.00 0.00 175.22 174.81 1ya8 s LEU 51 N 1.47 2.93 -0.01 -0.37 1.43 0.31 -0.47 118.68 123.97 1ya8 s LEU 51 Ca 0.02 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1ya8 s LEU 51 Cb -0.13 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1ya8 s LEU 51 CO -0.07 0.16 0.01 0.61 0.23 0.00 0.00 176.35 177.29 1ya8 n GLY 52 N 3.58 0.90 3.69 -3.19 0.00 -1.18 -3.00 105.19 105.98 1ya8 n GLY 52 Ca -0.18 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1ya8 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ya8 s ILE 53 N -2.92 4.82 -0.04 -0.61 1.01 -0.63 -4.82 121.20 118.01 1ya8 s ILE 53 Ca 0.00 1.95 -0.30 0.00 0.00 0.00 0.00 60.65 62.30 1ya8 s ILE 53 Cb -0.00 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 1ya8 s ILE 53 CO 0.01 0.04 1.00 -2.16 0.00 0.00 0.00 174.94 173.82 1ya8 s PRO 54 N 1.87 4.50 0.00 2.79 0.04 -1.26 -1.39 135.00 141.54 1ya8 s PRO 54 Ca 0.46 1.42 0.08 0.00 0.04 0.00 0.00 61.00 63.00 1ya8 s PRO 54 Cb -0.18 -3.49 0.20 0.00 0.04 0.00 0.00 34.50 31.07 1ya8 s PRO 54 CO 0.18 -0.17 1.15 1.97 0.04 0.00 0.00 177.00 180.17 1ya8 n PHE 55 N 4.37 0.30 -3.56 0.56 1.16 -1.05 -4.87 117.46 114.37 1ya8 n PHE 55 Ca 0.07 -0.47 -0.11 0.00 -1.87 0.00 0.00 57.45 55.08 1ya8 n PHE 55 Cb 0.50 -0.03 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 1ya8 n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ya8 s ALA 56 N -0.98 -1.42 0.20 1.98 0.00 -1.25 -4.44 121.76 115.86 1ya8 s ALA 56 Ca 0.16 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 1ya8 s ALA 56 Cb 0.08 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 23.99 1ya8 s ALA 56 CO 0.11 -0.83 1.07 0.21 0.00 0.00 0.00 175.76 176.33 1ya8 s LYS 57 N -3.80 4.64 -0.14 0.00 2.20 0.34 -4.36 119.74 118.62 1ya8 s LYS 57 Ca 0.04 1.70 -0.34 0.00 -0.36 0.00 0.00 55.97 57.00 1ya8 s LYS 57 Cb -0.02 -3.26 -0.12 0.00 -1.51 0.00 0.00 37.83 32.92 1ya8 s LYS 57 CO -0.08 0.16 1.92 -2.30 -0.36 0.00 0.00 175.35 174.70 1ya8 n PRO 58 N 2.04 2.00 -0.83 4.03 -0.02 -1.26 -4.61 135.00 136.34 1ya8 n PRO 58 Ca 0.01 0.71 -0.28 0.00 -2.02 0.00 0.00 63.50 61.93 1ya8 n PRO 58 Cb 0.46 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1ya8 n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ya8 n PRO 59 N 6.84 1.81 -3.50 0.52 -0.04 -1.26 -4.87 135.00 134.50 1ya8 n PRO 59 Ca 0.25 -1.54 -0.21 0.00 -0.04 0.00 0.00 63.50 61.97 1ya8 n PRO 59 Cb 0.29 -2.58 -0.02 0.00 -0.04 0.00 0.00 33.50 31.15 1ya8 n PRO 59 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ya8 s LEU 60 N 0.42 3.37 0.00 1.53 1.43 -1.26 -3.94 118.68 120.24 1ya8 s LEU 60 Ca 0.43 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1ya8 s LEU 60 Cb 0.11 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1ya8 s LEU 60 CO 0.02 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.49 1ya8 n GLY 61 N -1.62 3.02 0.34 -3.19 0.00 -1.26 -0.70 105.19 101.78 1ya8 n GLY 61 Ca 0.04 -0.05 0.23 0.00 0.00 0.00 0.00 46.02 46.24 1ya8 n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ya8 h PRO 62 N 0.00 0.00 0.00 1.61 0.13 -1.95 -2.07 132.00 129.72 1ya8 h PRO 62 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ya8 h PRO 62 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ya8 h PRO 62 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 1ya8 n LEU 63 N -3.11 0.17 -4.76 1.56 4.77 0.12 -4.81 117.00 110.95 1ya8 n LEU 63 Ca -0.03 0.54 -0.39 0.00 -0.03 0.00 0.00 56.01 56.09 1ya8 n LEU 63 Cb 0.07 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1ya8 n LEU 63 CO 0.20 -0.27 1.03 -0.60 -1.33 0.00 0.00 177.39 176.43 1ya8 s ARG 64 N -3.07 3.61 -1.42 3.23 3.52 -0.78 -2.75 118.95 121.28 1ya8 s ARG 64 Ca 0.08 2.33 -0.10 0.00 -0.13 0.00 0.00 55.73 57.91 1ya8 s ARG 64 Cb 0.11 -2.58 0.04 0.00 -1.56 0.00 0.00 34.95 30.96 1ya8 s ARG 64 CO 0.35 -0.85 1.08 1.19 -0.81 0.00 0.00 175.30 176.26 1ya8 n PHE 65 N -0.34 -2.59 -3.83 5.12 3.72 -1.26 -4.99 117.46 113.30 1ya8 n PHE 65 Ca 0.06 0.96 -0.09 0.00 -0.05 0.00 0.00 57.45 58.33 1ya8 n PHE 65 Cb 0.43 -4.58 -0.07 0.00 -0.94 0.00 0.00 39.48 34.31 1ya8 n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1ya8 s THR 66 N -3.33 0.13 0.42 4.37 -4.23 -1.11 -4.91 115.64 106.98 1ya8 s THR 66 Ca 0.57 -1.04 -0.24 0.00 -1.18 0.00 0.00 61.69 59.80 1ya8 s THR 66 Cb -0.27 -1.22 -0.11 0.00 1.34 0.00 0.00 72.50 72.24 1ya8 s THR 66 CO 0.77 -0.58 0.86 -2.65 -0.54 0.00 0.00 174.62 172.49 1ya8 n PRO 67 N 0.10 1.06 -2.26 3.99 -0.02 -1.26 -4.91 135.00 131.69 1ya8 n PRO 67 Ca -0.16 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 1ya8 n PRO 67 Cb 0.62 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 1ya8 n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ya8 s PRO 68 N -1.89 4.46 0.10 0.52 0.04 -1.26 -5.04 135.00 131.93 1ya8 s PRO 68 Ca 0.64 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.75 1ya8 s PRO 68 Cb -0.58 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 1ya8 s PRO 68 CO 0.57 -0.08 0.03 -0.65 0.04 0.00 0.00 177.00 176.91 1ya8 s GLN 69 N -1.13 2.67 0.36 4.56 -0.21 -1.26 -4.98 119.66 119.67 1ya8 s GLN 69 Ca 0.50 -0.81 -0.26 0.00 0.02 0.00 0.00 55.36 54.81 1ya8 s GLN 69 Cb -0.36 -2.60 -0.12 0.00 1.00 0.00 0.00 33.01 30.93 1ya8 s GLN 69 CO 0.44 0.54 1.03 -2.30 -2.12 0.00 0.00 175.29 172.88 1ya8 n PRO 70 N 0.42 1.43 -2.32 2.91 -0.02 -1.26 0.13 135.00 136.28 1ya8 n PRO 70 Ca -0.10 0.51 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 1ya8 n PRO 70 Cb 0.52 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1ya8 n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ya8 s ALA 71 N -1.18 2.80 0.08 3.55 0.00 -1.26 -3.72 121.76 122.01 1ya8 s ALA 71 Ca 0.60 0.81 -0.28 0.00 0.00 0.00 0.00 51.96 53.09 1ya8 s ALA 71 Cb -0.61 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.11 1ya8 s ALA 71 CO 0.59 -0.65 0.90 -2.00 0.00 0.00 0.00 175.76 174.60 1ya8 s GLU 72 N -3.13 4.62 0.48 0.00 -6.30 -1.26 -4.91 118.70 108.21 1ya8 s GLU 72 Ca 0.69 1.32 -0.23 0.00 -2.50 0.00 0.00 54.97 54.26 1ya8 s GLU 72 Cb -0.23 -3.38 -0.07 0.00 0.00 0.00 0.00 34.13 30.45 1ya8 s GLU 72 CO 0.27 0.20 1.26 -1.25 0.02 0.00 0.00 175.26 175.76 1ya8 s PRO 73 N 0.11 3.57 0.02 4.30 0.04 -1.26 -5.05 135.00 136.73 1ya8 s PRO 73 Ca 0.45 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.52 1ya8 s PRO 73 Cb -0.22 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1ya8 s PRO 73 CO 0.27 -0.78 -0.00 1.67 0.04 0.00 0.00 177.00 178.21 1ya8 s TRP 74 N -1.41 3.05 0.08 0.56 -2.14 0.53 -5.02 118.94 114.60 1ya8 s TRP 74 Ca 0.65 0.05 0.26 0.00 2.66 0.00 0.00 56.10 59.72 1ya8 s TRP 74 Cb -0.35 -1.64 0.95 0.00 -3.10 0.00 0.00 33.47 29.33 1ya8 s TRP 74 CO 0.42 0.46 1.83 0.77 -2.66 0.00 0.00 176.95 177.77 1ya8 h SER 75 N 4.13 0.00 0.00 -2.66 0.02 -1.97 -3.42 113.55 109.66 1ya8 h SER 75 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1ya8 h SER 75 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ya8 h SER 75 CO 0.58 0.18 0.00 0.49 -1.14 0.00 0.00 176.83 176.93 1ya8 n PHE 76 N -3.31 0.00 -3.43 3.45 3.01 -1.26 -5.03 117.46 110.90 1ya8 n PHE 76 Ca 0.01 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1ya8 n PHE 76 Cb 0.42 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.80 1ya8 n PHE 76 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ya8 s VAL 77 N 3.11 5.20 -0.01 -4.37 1.01 -1.26 -3.56 120.40 120.51 1ya8 s VAL 77 Ca 0.00 0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 1ya8 s VAL 77 Cb 0.00 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1ya8 s VAL 77 CO 0.00 0.11 0.55 -0.75 0.00 0.00 0.00 175.10 175.00 1ya8 s LYS 78 N 2.00 4.24 -0.45 2.72 2.20 0.79 -4.90 119.74 126.34 1ya8 s LYS 78 Ca 0.13 0.64 -0.24 0.00 -0.36 0.00 0.00 55.97 56.14 1ya8 s LYS 78 Cb -0.16 -3.32 0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1ya8 s LYS 78 CO 0.11 0.43 0.83 -0.80 -0.36 0.00 0.00 175.35 175.56 1ya8 s ASN 79 N -0.35 6.44 -1.03 1.43 -0.87 -1.26 0.55 114.94 119.85 1ya8 s ASN 79 Ca 0.29 -0.03 -0.01 0.00 -1.57 0.00 0.00 52.86 51.54 1ya8 s ASN 79 Cb -0.18 -2.41 0.32 0.00 -0.02 0.00 0.00 41.25 38.96 1ya8 s ASN 79 CO 0.16 -0.95 1.74 0.00 -2.57 0.00 0.00 177.10 175.47 1ya8 n ALA 80 N 6.85 5.87 0.03 0.60 0.00 -0.20 -4.62 120.51 129.04 1ya8 n ALA 80 Ca 0.04 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.83 1ya8 n ALA 80 Cb 0.48 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1ya8 n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ya8 n THR 81 N 0.22 0.00 -4.26 0.00 -2.24 -1.16 0.12 114.28 106.95 1ya8 n THR 81 Ca 0.42 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 61.43 1ya8 n THR 81 Cb 0.28 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 1ya8 n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ya8 s SER 82 N -0.18 4.39 0.12 3.42 0.01 -1.25 -4.87 113.70 115.35 1ya8 s SER 82 Ca 0.01 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 1ya8 s SER 82 Cb 0.01 -0.80 -0.07 0.00 0.21 0.00 0.00 66.02 65.37 1ya8 s SER 82 CO 0.01 0.11 1.16 -0.31 0.41 0.00 0.00 173.24 174.62 1ya8 s TYR 83 N -1.64 3.49 0.79 2.43 2.02 -1.26 -3.78 117.35 119.40 1ya8 s TYR 83 Ca 0.25 1.44 -0.11 0.00 -0.37 0.00 0.00 57.07 58.27 1ya8 s TYR 83 Cb -0.09 -3.37 0.06 0.00 -0.40 0.00 0.00 41.96 38.16 1ya8 s TYR 83 CO 0.16 -1.01 1.09 -1.25 -1.57 0.00 0.00 175.55 172.97 1ya8 s PRO 84 N 0.31 2.18 0.90 -1.71 0.04 -1.26 -4.96 135.00 130.49 1ya8 s PRO 84 Ca 0.54 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 1ya8 s PRO 84 Cb -0.30 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.45 1ya8 s PRO 84 CO 0.33 -1.56 1.09 -2.14 0.04 0.00 0.00 177.00 174.76 1ya8 s PRO 85 N -5.14 1.21 0.08 0.56 0.02 -1.26 -4.75 135.00 125.72 1ya8 s PRO 85 Ca 0.60 0.96 0.02 0.00 0.02 0.00 0.00 61.00 62.61 1ya8 s PRO 85 Cb -0.14 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1ya8 s PRO 85 CO 0.54 -2.31 0.12 0.00 -0.33 0.00 0.00 177.00 175.03 1ya8 s MET 86 N -4.86 3.05 0.46 5.54 0.23 0.48 -4.77 119.30 119.42 1ya8 s MET 86 Ca 0.64 -0.63 -0.25 0.00 -1.03 0.00 0.00 55.69 54.41 1ya8 s MET 86 Cb -0.19 -2.81 -0.08 0.00 -1.53 0.00 0.00 34.83 30.22 1ya8 s MET 86 CO 0.58 0.57 1.41 0.00 -2.03 0.00 0.00 175.02 175.54 1ya8 n THR 88 N -0.27 0.01 -3.83 0.00 -1.04 -1.02 -4.72 114.28 103.40 1ya8 n THR 88 Ca 0.06 -0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.01 1ya8 n THR 88 Cb 0.42 -0.20 0.01 0.00 -1.82 0.00 0.00 70.33 68.74 1ya8 n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ya8 s GLN 89 N 0.74 1.61 -0.31 -2.82 -2.07 -1.26 -4.73 119.66 110.83 1ya8 s GLN 89 Ca 0.94 -1.00 -0.28 0.00 -1.82 0.00 0.00 55.36 53.20 1ya8 s GLN 89 Cb -1.29 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 31.06 1ya8 s GLN 89 CO 0.61 -0.75 2.17 0.34 -1.32 0.00 0.00 175.29 176.34 1ya8 s ASP 90 N -3.17 5.32 0.34 12.60 -1.08 -1.26 -4.80 116.67 124.63 1ya8 s ASP 90 Ca 0.17 1.57 0.07 0.00 -0.52 0.00 0.00 52.55 53.85 1ya8 s ASP 90 Cb -0.03 -2.51 0.77 0.00 -1.46 0.00 0.00 42.92 39.68 1ya8 s ASP 90 CO 0.07 -2.11 1.87 1.55 0.52 0.00 0.00 175.17 177.06 1ya8 h PRO 91 N 15.56 0.73 0.59 4.34 0.13 -1.98 0.13 132.00 151.49 1ya8 h PRO 91 Ca -0.36 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1ya8 h PRO 91 Cb 1.23 -0.16 0.01 0.00 0.13 0.00 0.00 31.00 32.20 1ya8 h PRO 91 CO 1.02 0.48 -0.29 -0.22 -0.23 0.00 0.00 178.00 178.77 1ya8 h LYS 92 N 0.75 -0.77 -0.69 0.86 3.64 -2.01 -2.60 116.57 115.75 1ya8 h LYS 92 Ca 0.45 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.95 1ya8 h LYS 92 Cb 0.64 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 1ya8 h LYS 92 CO -0.21 -0.51 0.46 0.00 -2.27 0.00 0.00 179.45 176.92 1ya8 h ALA 93 N -1.47 1.78 0.04 5.00 0.00 -1.89 -2.62 119.26 120.11 1ya8 h ALA 93 Ca -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ya8 h ALA 93 Cb 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ya8 h ALA 93 CO 0.13 0.09 -0.02 0.78 0.00 0.00 0.00 179.25 180.24 1ya8 h GLY 94 N 0.66 -0.05 1.31 0.00 0.00 -0.75 -1.54 103.07 102.70 1ya8 h GLY 94 Ca 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1ya8 h GLY 94 CO -0.10 -0.02 0.39 -1.61 0.00 0.00 0.00 176.54 175.20 1ya8 h GLN 95 N -0.15 0.91 -0.39 4.80 4.15 -1.17 -1.87 115.11 121.39 1ya8 h GLN 95 Ca -0.00 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 1ya8 h GLN 95 Cb 0.14 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1ya8 h GLN 95 CO 0.01 0.65 0.05 1.25 -1.93 0.00 0.00 178.83 178.86 1ya8 h LEU 96 N 0.92 0.62 -1.03 -2.39 5.85 -1.17 -1.97 115.31 116.15 1ya8 h LEU 96 Ca 0.24 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 1ya8 h LEU 96 Cb -0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1ya8 h LEU 96 CO -0.04 0.74 -0.39 0.25 -0.34 0.00 0.00 178.44 178.65 1ya8 h LEU 97 N 0.49 0.18 -0.30 2.25 5.85 -1.03 -2.55 115.31 120.20 1ya8 h LEU 97 Ca 0.12 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1ya8 h LEU 97 Cb 0.39 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1ya8 h LEU 97 CO 0.01 0.57 0.04 -1.28 -0.34 0.00 0.00 178.44 177.43 1ya8 h SER 98 N 0.15 0.49 -0.55 1.25 0.87 -1.08 -1.47 113.55 113.20 1ya8 h SER 98 Ca 0.01 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.26 1ya8 h SER 98 Cb 0.77 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1ya8 h SER 98 CO 0.06 0.64 0.21 -0.33 -0.53 0.00 0.00 176.83 176.87 1ya8 h GLU 99 N 0.32 0.88 0.00 2.24 5.08 -1.22 0.24 114.58 122.11 1ya8 h GLU 99 Ca 0.09 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1ya8 h GLU 99 Cb 0.37 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1ya8 h GLU 99 CO 0.01 0.74 -0.60 -0.07 -1.00 0.00 0.00 179.01 178.09 1ya8 h LEU 100 N 0.86 0.00 0.00 1.33 3.38 -1.28 -3.35 115.31 116.25 1ya8 h LEU 100 Ca 0.20 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.94 1ya8 h LEU 100 Cb 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1ya8 h LEU 100 CO -0.01 0.60 -2.17 0.49 0.09 0.00 0.00 178.44 177.43 1ya8 n PHE 101 N -3.58 0.00 -1.62 1.13 3.01 -0.57 -5.00 117.46 110.84 1ya8 n PHE 101 Ca -0.00 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 57.99 1ya8 n PHE 101 Cb 0.65 -0.77 -0.03 0.00 -0.01 0.00 0.00 39.48 39.32 1ya8 n PHE 101 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1ya8 n THR 102 N -2.53 1.19 -0.25 4.37 5.66 0.80 -4.85 114.28 118.66 1ya8 n THR 102 Ca -0.21 -0.30 0.10 0.00 -3.05 0.00 0.00 64.05 60.59 1ya8 n THR 102 Cb 0.91 -1.12 0.31 0.00 -1.55 0.00 0.00 70.33 68.88 1ya8 n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ya8 n ASN 103 N 1.84 3.96 -4.74 1.09 6.94 -1.26 -4.95 115.26 118.14 1ya8 n ASN 103 Ca 0.12 -2.19 -0.22 0.00 -0.02 0.00 0.00 54.58 52.27 1ya8 n ASN 103 Cb 0.29 -0.50 -0.06 0.00 -2.36 0.00 0.00 39.78 37.15 1ya8 n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ya8 s ARG 104 N -1.45 2.56 0.19 -3.83 1.70 -1.26 -4.30 118.95 112.56 1ya8 s ARG 104 Ca 0.46 -1.31 -0.13 0.00 -0.47 0.00 0.00 55.73 54.27 1ya8 s ARG 104 Cb 0.26 -2.33 0.20 0.00 -0.57 0.00 0.00 34.95 32.52 1ya8 s ARG 104 CO 0.27 0.30 1.67 1.57 -1.08 0.00 0.00 175.30 178.03 1ya8 h LYS 105 N 1.62 0.09 -4.55 3.89 -0.00 -1.93 -3.41 116.57 112.29 1ya8 h LYS 105 Ca -0.46 -0.01 -0.57 0.00 -0.00 0.00 0.00 60.65 59.62 1ya8 h LYS 105 Cb 1.25 -0.02 -0.36 0.00 -0.00 0.00 0.00 32.23 33.10 1ya8 h LYS 105 CO 0.61 0.06 -0.82 -2.00 -0.00 0.00 0.00 179.45 177.30 1ya8 s GLU 106 N -6.17 2.02 0.31 0.07 2.56 -1.26 -5.02 118.70 111.21 1ya8 s GLU 106 Ca -0.14 -0.46 -0.29 0.00 0.00 0.00 0.00 54.97 54.08 1ya8 s GLU 106 Cb 0.17 -1.86 -0.11 0.00 2.00 0.00 0.00 34.13 34.33 1ya8 s GLU 106 CO 0.73 -0.19 1.53 1.21 -0.56 0.00 0.00 175.26 177.98 1ya8 s ASN 107 N 1.38 6.42 -0.29 -1.70 3.84 -1.26 -4.96 114.94 118.37 1ya8 s ASN 107 Ca 0.01 2.93 -0.17 0.00 0.21 0.00 0.00 52.86 55.84 1ya8 s ASN 107 Cb -0.13 -2.64 -0.02 0.00 -0.55 0.00 0.00 41.25 37.90 1ya8 s ASN 107 CO -0.07 -0.86 0.46 -0.63 -2.79 0.00 0.00 177.10 173.21 1ya8 s ILE 108 N -0.37 5.10 0.52 -5.21 -1.09 -1.26 -5.06 121.20 113.81 1ya8 s ILE 108 Ca 0.59 0.60 -0.19 0.00 -2.23 0.00 0.00 60.65 59.42 1ya8 s ILE 108 Cb -0.46 -3.82 -0.07 0.00 -1.58 0.00 0.00 42.46 36.53 1ya8 s ILE 108 CO 0.52 0.03 1.05 -2.16 -1.23 0.00 0.00 174.94 173.15 1ya8 s PRO 109 N 2.24 3.64 0.37 2.79 0.04 -1.26 -4.95 135.00 137.86 1ya8 s PRO 109 Ca 0.18 1.36 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1ya8 s PRO 109 Cb -0.16 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 1ya8 s PRO 109 CO 0.11 -0.57 0.06 -0.51 0.04 0.00 0.00 177.00 176.13 1ya8 s LEU 110 N -3.74 2.28 0.13 -3.56 1.43 -1.26 -5.11 118.68 108.85 1ya8 s LEU 110 Ca 0.67 -1.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.38 1ya8 s LEU 110 Cb -0.17 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 1ya8 s LEU 110 CO 0.24 -0.65 0.01 -0.54 0.23 0.00 0.00 176.35 175.64 1ya8 s LYS 111 N -3.83 2.52 0.16 1.70 3.01 -1.26 -4.97 119.74 117.08 1ya8 s LYS 111 Ca 0.32 -0.94 -0.04 0.00 -1.01 0.00 0.00 55.97 54.30 1ya8 s LYS 111 Cb 0.07 -2.48 -0.05 0.00 -1.01 0.00 0.00 37.83 34.36 1ya8 s LYS 111 CO 0.15 0.50 0.39 -0.51 0.51 0.00 0.00 175.35 176.39 1ya8 s LEU 112 N -2.62 4.24 -0.21 3.17 1.43 -1.26 -0.39 118.68 123.04 1ya8 s LEU 112 Ca 0.27 0.56 -0.32 0.00 -1.03 0.00 0.00 54.13 53.62 1ya8 s LEU 112 Cb -0.11 -3.30 0.16 0.00 0.03 0.00 0.00 46.19 42.96 1ya8 s LEU 112 CO 0.19 0.02 1.20 -0.55 0.23 0.00 0.00 176.35 177.44 1ya8 s SER 113 N -2.62 -0.16 0.34 2.29 0.15 -0.80 -4.84 113.70 108.05 1ya8 s SER 113 Ca 0.41 0.12 0.20 0.00 0.70 0.00 0.00 55.95 57.38 1ya8 s SER 113 Cb -0.12 0.15 0.19 0.00 -1.71 0.00 0.00 66.02 64.53 1ya8 s SER 113 CO 0.26 -0.19 1.43 -0.33 1.20 0.00 0.00 173.24 175.61 1ya8 h GLU 114 N 2.16 0.00 -5.31 5.44 5.08 -1.96 -2.70 114.58 117.29 1ya8 h GLU 114 Ca -0.11 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.57 1ya8 h GLU 114 Cb 1.17 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 1ya8 h GLU 114 CO 0.25 0.15 1.17 0.34 -1.00 0.00 0.00 179.01 179.91 1ya8 s ASP 115 N -6.12 6.67 0.00 1.42 2.15 -1.26 -4.48 116.67 115.05 1ya8 s ASP 115 Ca 0.04 -2.06 0.00 0.00 0.43 0.00 0.00 52.55 50.96 1ya8 s ASP 115 Cb 0.07 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1ya8 s ASP 115 CO 0.72 -1.14 0.52 0.00 -0.17 0.00 0.00 175.17 175.10 1ya8 n LEU 117 N 0.00 6.34 -4.56 0.00 4.77 -1.26 -4.68 117.00 117.60 1ya8 n LEU 117 Ca 0.00 -4.19 -0.26 0.00 -0.03 0.00 0.00 56.01 51.53 1ya8 n LEU 117 Cb 0.52 -1.65 -0.10 0.00 -2.33 0.00 0.00 43.42 39.86 1ya8 n LEU 117 CO 0.00 0.93 -0.27 -0.31 -1.33 0.00 0.00 177.39 176.41 1ya8 s TYR 118 N 2.87 2.14 0.04 -1.77 1.51 -1.26 -2.54 117.35 118.34 1ya8 s TYR 118 Ca 0.47 -0.88 -0.14 0.00 -1.01 0.00 0.00 57.07 55.51 1ya8 s TYR 118 Cb 0.10 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1ya8 s TYR 118 CO -0.03 0.17 0.30 -0.48 -1.11 0.00 0.00 175.55 174.40 1ya8 s LEU 119 N -3.63 0.89 0.03 -1.29 0.05 -0.49 -2.23 118.68 112.01 1ya8 s LEU 119 Ca 0.31 -0.16 0.06 0.00 0.05 0.00 0.00 54.13 54.38 1ya8 s LEU 119 Cb 0.08 1.33 -0.03 0.00 -2.05 0.00 0.00 46.19 45.52 1ya8 s LEU 119 CO 0.15 -0.59 -0.14 0.20 -0.55 0.00 0.00 176.35 175.41 1ya8 s ASN 120 N -1.98 4.06 -0.09 1.48 0.01 0.08 -1.61 114.94 116.90 1ya8 s ASN 120 Ca -0.06 -0.34 0.03 0.00 -0.71 0.00 0.00 52.86 51.78 1ya8 s ASN 120 Cb -0.01 -0.76 0.00 0.00 0.41 0.00 0.00 41.25 40.90 1ya8 s ASN 120 CO -0.02 0.26 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.00 1ya8 s ILE 121 N -0.95 1.73 -0.38 0.60 1.01 0.38 -1.83 121.20 121.75 1ya8 s ILE 121 Ca 0.16 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1ya8 s ILE 121 Cb -0.11 -1.51 0.11 0.00 0.01 0.00 0.00 42.46 40.96 1ya8 s ILE 121 CO 0.06 0.49 0.10 -0.31 0.00 0.00 0.00 174.94 175.28 1ya8 s TYR 122 N 0.46 3.63 -0.15 3.97 1.51 0.40 -0.97 117.35 126.20 1ya8 s TYR 122 Ca -0.17 -3.05 -0.05 0.00 -1.01 0.00 0.00 57.07 52.79 1ya8 s TYR 122 Cb -0.17 -2.90 -0.03 0.00 -0.11 0.00 0.00 41.96 38.74 1ya8 s TYR 122 CO 0.07 -0.90 0.01 -0.08 -1.11 0.00 0.00 175.55 173.54 1ya8 s THR 123 N 0.61 4.36 -1.92 -0.71 -1.32 -0.98 -1.33 115.64 114.36 1ya8 s THR 123 Ca 0.12 -0.20 0.26 0.00 -1.21 0.00 0.00 61.69 60.66 1ya8 s THR 123 Cb -0.21 -2.91 0.25 0.00 -1.51 0.00 0.00 72.50 68.13 1ya8 s THR 123 CO -0.06 0.51 1.50 -0.81 -2.21 0.00 0.00 174.62 173.55 1ya8 n PRO 124 N 3.14 1.03 -1.69 7.08 -0.04 -1.26 -1.88 135.00 141.37 1ya8 n PRO 124 Ca -0.17 -0.67 -0.32 0.00 -0.04 0.00 0.00 63.50 62.29 1ya8 n PRO 124 Cb 0.53 -1.49 0.05 0.00 -0.04 0.00 0.00 33.50 32.55 1ya8 n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ya8 s ALA 125 N -2.43 2.49 -0.76 0.55 0.00 -1.26 -4.84 121.76 115.51 1ya8 s ALA 125 Ca 0.25 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.42 1ya8 s ALA 125 Cb 0.19 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 20.11 1ya8 s ALA 125 CO 0.50 -1.29 1.06 0.34 0.00 0.00 0.00 175.76 176.38 1ya8 s ASP 126 N -2.86 6.31 0.00 0.00 2.15 -1.26 -4.79 116.67 116.21 1ya8 s ASP 126 Ca 0.65 -1.24 0.00 0.00 0.43 0.00 0.00 52.55 52.38 1ya8 s ASP 126 Cb -0.19 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1ya8 s ASP 126 CO 0.45 -1.39 0.77 0.18 -0.17 0.00 0.00 175.17 175.01 1ya8 n LEU 127 N 7.64 0.00 -0.15 -1.34 4.77 -1.26 -1.55 117.00 125.11 1ya8 n LEU 127 Ca 0.06 0.30 0.08 0.00 -0.03 0.00 0.00 56.01 56.42 1ya8 n LEU 127 Cb 0.47 -0.30 0.43 0.00 -2.33 0.00 0.00 43.42 41.69 1ya8 n LEU 127 CO 0.61 -0.30 0.79 0.35 -1.33 0.00 0.00 177.39 177.51 1ya8 n THR 128 N -1.27 0.06 -3.76 -5.08 -2.24 -1.26 -4.84 114.28 95.89 1ya8 n THR 128 Ca 0.00 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1ya8 n THR 128 Cb 0.07 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 1ya8 n THR 128 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ya8 s LYS 129 N -1.94 1.44 0.27 -0.78 -2.85 -0.59 -5.15 119.74 110.14 1ya8 s LYS 129 Ca 0.25 -0.90 -0.29 0.00 -1.00 0.00 0.00 55.97 54.03 1ya8 s LYS 129 Cb 0.12 0.53 -0.10 0.00 -2.06 0.00 0.00 37.83 36.33 1ya8 s LYS 129 CO 0.20 -0.62 1.31 0.21 0.10 0.00 0.00 175.35 176.55 1ya8 s LYS 130 N -3.89 4.38 -0.19 1.78 2.20 -1.26 -4.81 119.74 117.96 1ya8 s LYS 130 Ca 0.10 2.13 -0.15 0.00 -0.36 0.00 0.00 55.97 57.70 1ya8 s LYS 130 Cb -0.02 -3.13 0.05 0.00 -1.51 0.00 0.00 37.83 33.23 1ya8 s LYS 130 CO -0.01 -0.21 0.48 -0.80 -0.36 0.00 0.00 175.35 174.45 1ya8 s ASN 131 N -0.11 -0.55 -0.59 1.43 0.01 -1.26 -5.03 114.94 108.83 1ya8 s ASN 131 Ca 0.53 1.00 0.05 0.00 -0.71 0.00 0.00 52.86 53.72 1ya8 s ASN 131 Cb -0.38 0.96 0.17 0.00 0.41 0.00 0.00 41.25 42.41 1ya8 s ASN 131 CO 0.45 -0.18 0.43 -0.13 -1.51 0.00 0.00 177.10 176.16 1ya8 s ARG 132 N 0.71 1.89 0.30 -0.60 3.00 -1.23 -3.78 118.95 119.24 1ya8 s ARG 132 Ca -0.04 -2.88 -0.08 0.00 0.00 0.00 0.00 55.73 52.73 1ya8 s ARG 132 Cb -0.05 -2.70 -0.06 0.00 0.00 0.00 0.00 34.95 32.14 1ya8 s ARG 132 CO -0.05 -1.32 0.62 -0.51 0.00 0.00 0.00 175.30 174.04 1ya8 s LEU 133 N -0.88 4.04 0.55 2.53 1.43 0.22 -4.54 118.68 122.02 1ya8 s LEU 133 Ca 0.27 0.92 -0.21 0.00 -1.03 0.00 0.00 54.13 54.08 1ya8 s LEU 133 Cb -0.02 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 1ya8 s LEU 133 CO -0.17 -0.21 1.28 -2.16 0.23 0.00 0.00 176.35 175.32 1ya8 s PRO 134 N -3.36 3.15 -0.11 1.29 0.04 -1.26 -1.03 135.00 133.73 1ya8 s PRO 134 Ca 0.47 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.57 1ya8 s PRO 134 Cb -0.11 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1ya8 s PRO 134 CO 0.27 -1.12 -0.16 0.08 0.04 0.00 0.00 177.00 176.11 1ya8 s VAL 135 N -1.42 2.80 -0.22 -0.36 1.01 -0.76 -1.67 120.40 119.78 1ya8 s VAL 135 Ca 0.73 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1ya8 s VAL 135 Cb -0.36 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 33.93 1ya8 s VAL 135 CO 0.41 0.54 -0.13 -0.04 0.00 0.00 0.00 175.10 175.89 1ya8 s MET 136 N 0.15 2.33 -0.24 2.72 -1.94 -0.68 0.12 119.30 121.77 1ya8 s MET 136 Ca -0.09 -1.02 -0.14 0.00 -1.71 0.00 0.00 55.69 52.73 1ya8 s MET 136 Cb -0.15 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.02 1ya8 s MET 136 CO 0.05 -0.43 0.33 0.08 -0.01 0.00 0.00 175.02 175.04 1ya8 s VAL 137 N 1.26 5.23 -0.19 -6.03 1.01 0.10 -1.48 120.40 120.31 1ya8 s VAL 137 Ca -0.03 0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 1ya8 s VAL 137 Cb -0.17 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1ya8 s VAL 137 CO -0.08 0.24 0.25 0.86 0.00 0.00 0.00 175.10 176.37 1ya8 s TRP 138 N 1.55 3.42 -0.36 5.22 -0.11 0.23 -1.16 118.94 127.73 1ya8 s TRP 138 Ca 0.14 0.49 -0.03 0.00 1.22 0.00 0.00 56.10 57.93 1ya8 s TRP 138 Cb -0.15 -2.32 0.08 0.00 -1.50 0.00 0.00 33.47 29.58 1ya8 s TRP 138 CO 0.08 0.19 0.11 0.42 -4.62 0.00 0.00 176.95 173.14 1ya8 s ILE 139 N 0.64 3.20 0.67 5.86 1.01 0.03 -2.78 121.20 129.82 1ya8 s ILE 139 Ca 0.14 -1.72 -0.17 0.00 0.00 0.00 0.00 60.65 58.90 1ya8 s ILE 139 Cb -0.13 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1ya8 s ILE 139 CO 0.03 -0.42 1.24 -1.38 0.00 0.00 0.00 174.94 174.42 1ya8 s HIS 140 N 1.20 2.14 0.00 3.97 -3.43 -1.26 -3.44 115.29 114.46 1ya8 s HIS 140 Ca 0.02 1.53 0.00 0.00 -0.80 0.00 0.00 55.06 55.82 1ya8 s HIS 140 Cb -0.21 -3.56 0.00 0.00 -1.43 0.00 0.00 32.58 27.37 1ya8 s HIS 140 CO -0.02 -2.65 0.00 0.41 -2.00 0.00 0.00 174.74 170.48 1ya8 n GLY 141 N 0.62 1.03 0.00 -1.38 0.00 -1.19 -3.72 105.19 100.55 1ya8 n GLY 141 Ca 0.14 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1ya8 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya8 n GLY 142 N 5.00 0.47 2.31 -0.02 0.00 -1.25 -4.35 105.19 107.35 1ya8 n GLY 142 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1ya8 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya8 n GLY 143 N 0.00 0.04 3.13 -0.02 0.00 -1.26 -0.58 105.19 106.50 1ya8 n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ya8 n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ya8 n LEU 144 N -2.53 0.90 -0.05 0.99 4.77 -1.26 -4.72 117.00 115.09 1ya8 n LEU 144 Ca -0.15 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.77 1ya8 n LEU 144 Cb 0.56 -2.08 -0.08 0.00 -2.33 0.00 0.00 43.42 39.49 1ya8 n LEU 144 CO 0.19 -0.80 -0.85 0.23 -1.33 0.00 0.00 177.39 174.83 1ya8 n MET 145 N 0.00 1.98 -4.13 3.23 2.81 0.23 -0.63 117.12 120.61 1ya8 n MET 145 Ca 0.00 0.01 -0.11 0.00 -1.81 0.00 0.00 57.70 55.79 1ya8 n MET 145 Cb 0.35 -1.26 -0.09 0.00 -0.71 0.00 0.00 33.22 31.51 1ya8 n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ya8 s VAL 146 N -2.25 0.03 0.00 2.03 -7.23 0.25 -4.48 120.40 108.75 1ya8 s VAL 146 Ca -0.07 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1ya8 s VAL 146 Cb 0.03 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1ya8 s VAL 146 CO 0.40 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 1ya8 n GLY 147 N -0.24 3.47 3.38 2.32 0.00 -1.26 -3.81 105.19 109.06 1ya8 n GLY 147 Ca -0.01 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 1ya8 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 s ALA 148 N -2.33 -1.34 -0.05 4.61 0.00 -1.26 -4.62 121.76 116.77 1ya8 s ALA 148 Ca 0.00 0.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.10 1ya8 s ALA 148 Cb 0.00 0.70 -0.25 0.00 0.00 0.00 0.00 23.12 23.57 1ya8 s ALA 148 CO 0.00 -0.66 1.00 0.00 0.00 0.00 0.00 175.76 176.09 1ya8 h ALA 149 N 2.30 0.02 -0.50 0.00 0.00 -1.93 -3.30 119.26 115.86 1ya8 h ALA 149 Ca -0.33 -0.53 0.14 0.00 0.00 0.00 0.00 54.91 54.19 1ya8 h ALA 149 Cb 1.27 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1ya8 h ALA 149 CO 0.41 0.19 0.65 0.77 0.00 0.00 0.00 179.25 181.27 1ya8 h SER 150 N -0.43 0.00 -0.87 0.00 0.02 -1.93 -0.83 113.55 109.51 1ya8 h SER 150 Ca -0.06 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1ya8 h SER 150 Cb 1.19 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.67 1ya8 h SER 150 CO 0.08 0.00 0.57 0.74 -1.14 0.00 0.00 176.83 177.08 1ya8 h THR 151 N 0.00 1.02 -3.67 -2.27 2.02 -1.93 -3.38 112.91 104.70 1ya8 h THR 151 Ca 0.24 -0.32 -0.67 0.00 0.77 0.00 0.00 66.41 66.42 1ya8 h THR 151 Cb 1.53 0.01 -0.18 0.00 -1.74 0.00 0.00 68.15 67.77 1ya8 h THR 151 CO -0.00 0.17 -0.37 -0.31 0.37 0.00 0.00 175.52 175.37 1ya8 s TYR 152 N -5.83 3.22 -0.25 3.16 1.51 -0.32 -4.00 117.35 114.84 1ya8 s TYR 152 Ca -0.11 -0.16 -0.17 0.00 -1.01 0.00 0.00 57.07 55.62 1ya8 s TYR 152 Cb 0.20 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 1ya8 s TYR 152 CO 0.79 -0.43 0.49 0.34 -1.11 0.00 0.00 175.55 175.63 1ya8 s ASP 153 N 1.73 6.43 0.00 2.29 3.68 -1.26 -4.97 116.67 124.57 1ya8 s ASP 153 Ca 0.09 0.52 0.25 0.00 2.13 0.00 0.00 52.55 55.53 1ya8 s ASP 153 Cb -0.17 -2.27 0.82 0.00 -1.45 0.00 0.00 42.92 39.85 1ya8 s ASP 153 CO 0.11 -0.23 1.61 0.61 0.13 0.00 0.00 175.17 177.39 1ya8 n GLY 154 N 4.30 0.31 0.28 2.66 0.00 -1.26 -4.53 105.19 106.95 1ya8 n GLY 154 Ca -0.05 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.55 1ya8 n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ya8 h LEU 155 N 2.66 -0.28 0.23 0.99 5.85 -1.93 -1.40 115.31 121.42 1ya8 h LEU 155 Ca 0.00 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1ya8 h LEU 155 Cb 0.57 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1ya8 h LEU 155 CO 0.00 -0.17 -0.11 0.00 -0.34 0.00 0.00 178.44 177.82 1ya8 h ALA 156 N 1.71 -0.31 -0.87 1.25 0.00 -1.86 -2.52 119.26 116.67 1ya8 h ALA 156 Ca 0.43 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1ya8 h ALA 156 Cb 0.78 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1ya8 h ALA 156 CO -0.66 -0.42 0.51 1.25 0.00 0.00 0.00 179.25 179.93 1ya8 h LEU 157 N -0.81 0.73 -0.17 0.00 5.85 -1.76 0.25 115.31 119.40 1ya8 h LEU 157 Ca -0.03 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1ya8 h LEU 157 Cb 0.51 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1ya8 h LEU 157 CO 0.05 0.40 0.04 0.00 -0.34 0.00 0.00 178.44 178.59 1ya8 h ALA 158 N 1.49 0.22 0.14 1.25 0.00 -1.33 -1.44 119.26 119.58 1ya8 h ALA 158 Ca 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ya8 h ALA 158 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ya8 h ALA 158 CO -0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 179.25 178.80 1ya8 h ALA 159 N 0.83 -0.19 -0.27 0.00 0.00 -0.90 -1.19 119.26 117.54 1ya8 h ALA 159 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ya8 h ALA 159 Cb 0.28 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ya8 h ALA 159 CO 0.00 -0.46 -0.04 0.45 0.00 0.00 0.00 179.25 179.20 1ya8 h HIS 160 N -0.47 0.43 -0.09 0.00 -0.00 -0.58 -3.28 115.15 111.16 1ya8 h HIS 160 Ca -0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1ya8 h HIS 160 Cb 0.37 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1ya8 h HIS 160 CO 0.02 0.46 0.00 0.39 -0.00 0.00 0.00 177.93 178.80 1ya8 n GLU 161 N -4.29 1.09 -3.52 2.45 -0.58 -0.55 -5.02 120.64 110.22 1ya8 n GLU 161 Ca 0.01 -1.27 -0.22 0.00 -0.42 0.00 0.00 57.16 55.25 1ya8 n GLU 161 Cb 0.25 -1.15 0.05 0.00 -0.57 0.00 0.00 31.44 30.02 1ya8 n GLU 161 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1ya8 n ASN 162 N 0.31 -4.56 -4.07 1.62 4.05 -0.46 -5.02 115.26 107.15 1ya8 n ASN 162 Ca 0.05 -0.84 -0.08 0.00 0.45 0.00 0.00 54.58 54.17 1ya8 n ASN 162 Cb 0.25 -4.31 -0.10 0.00 1.23 0.00 0.00 39.78 36.85 1ya8 n ASN 162 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1ya8 s VAL 163 N -3.48 0.24 -0.03 3.44 -7.23 -1.20 -4.50 120.40 107.64 1ya8 s VAL 163 Ca 0.32 -1.58 -0.22 0.00 -1.81 0.00 0.00 61.98 58.70 1ya8 s VAL 163 Cb -0.08 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 1ya8 s VAL 163 CO 0.80 -0.85 0.63 -0.69 -0.31 0.00 0.00 175.10 174.68 1ya8 s VAL 164 N -3.21 4.96 -0.16 1.32 1.01 -0.67 -4.32 120.40 119.33 1ya8 s VAL 164 Ca 0.01 1.32 -0.02 0.00 0.00 0.00 0.00 61.98 63.29 1ya8 s VAL 164 Cb 0.03 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1ya8 s VAL 164 CO -0.07 0.35 -0.09 -0.69 0.00 0.00 0.00 175.10 174.60 1ya8 s VAL 165 N 0.21 3.26 -0.17 2.92 1.01 -0.44 -1.69 120.40 125.51 1ya8 s VAL 165 Ca 0.33 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1ya8 s VAL 165 Cb -0.18 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1ya8 s VAL 165 CO 0.17 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.91 1ya8 s VAL 166 N 0.71 1.80 -0.16 2.92 1.01 -0.55 -0.45 120.40 125.68 1ya8 s VAL 166 Ca -0.04 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1ya8 s VAL 166 Cb -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1ya8 s VAL 166 CO 0.02 0.48 -0.00 0.42 0.00 0.00 0.00 175.10 176.02 1ya8 s THR 167 N 1.39 4.20 0.27 3.92 -4.23 -0.76 0.77 115.64 121.20 1ya8 s THR 167 Ca 0.05 -0.25 0.12 0.00 -1.18 0.00 0.00 61.69 60.42 1ya8 s THR 167 Cb -0.13 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 1ya8 s THR 167 CO -0.12 0.48 -0.18 0.27 -0.54 0.00 0.00 174.62 174.53 1ya8 s ILE 168 N 0.34 2.57 0.11 2.99 -4.36 -1.12 -0.74 121.20 120.99 1ya8 s ILE 168 Ca -0.02 -2.30 0.10 0.00 -0.26 0.00 0.00 60.65 58.18 1ya8 s ILE 168 Cb -0.14 -2.34 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 1ya8 s ILE 168 CO 0.02 -0.36 -0.26 -1.10 0.24 0.00 0.00 174.94 173.48 1ya8 s GLN 169 N -3.41 1.42 0.03 0.37 -0.21 -0.95 -4.42 119.66 112.50 1ya8 s GLN 169 Ca 0.29 -1.29 -0.02 0.00 0.02 0.00 0.00 55.36 54.36 1ya8 s GLN 169 Cb -0.06 -1.85 -0.02 0.00 1.00 0.00 0.00 33.01 32.09 1ya8 s GLN 169 CO 0.15 0.44 0.01 1.52 -2.12 0.00 0.00 175.29 175.29 1ya8 s TYR 170 N -1.03 0.27 0.47 0.91 1.13 -1.26 -4.56 117.35 113.27 1ya8 s TYR 170 Ca 0.13 -0.58 -0.23 0.00 -1.41 0.00 0.00 57.07 54.98 1ya8 s TYR 170 Cb -0.10 -0.20 -0.09 0.00 -1.10 0.00 0.00 41.96 40.47 1ya8 s TYR 170 CO 0.05 -0.26 1.09 0.54 -2.51 0.00 0.00 175.55 174.47 1ya8 n ARG 171 N 1.20 1.44 -4.54 -3.49 1.74 -1.26 -4.85 116.66 106.90 1ya8 n ARG 171 Ca -0.21 0.52 -0.25 0.00 -0.77 0.00 0.00 57.85 57.14 1ya8 n ARG 171 Cb 0.57 -2.20 -0.11 0.00 -1.02 0.00 0.00 32.46 29.70 1ya8 n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ya8 s LEU 172 N -1.34 2.64 0.00 0.55 1.43 -1.26 -4.38 118.68 116.32 1ya8 s LEU 172 Ca 0.66 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1ya8 s LEU 172 Cb -0.50 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1ya8 s LEU 172 CO 0.55 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1ya8 n GLY 173 N -0.81 2.11 0.27 -3.19 0.00 0.20 -1.99 105.19 101.77 1ya8 n GLY 173 Ca -0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1ya8 n GLY 173 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ya8 h ILE 174 N 0.00 0.40 -0.98 -0.61 2.04 -1.92 0.36 117.51 116.80 1ya8 h ILE 174 Ca 0.00 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.10 1ya8 h ILE 174 Cb 0.00 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 1ya8 h ILE 174 CO 0.00 0.00 0.65 -0.50 0.00 0.00 0.00 178.15 178.30 1ya8 h TRP 175 N -0.26 0.53 -0.01 1.37 6.55 -1.87 -1.44 115.95 120.82 1ya8 h TRP 175 Ca 0.13 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.98 1ya8 h TRP 175 Cb 0.46 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.60 1ya8 h TRP 175 CO -0.38 0.09 -0.02 0.41 -1.05 0.00 0.00 178.44 177.50 1ya8 n GLY 176 N -1.52 -0.84 0.00 1.49 0.00 -0.80 -4.38 105.19 99.13 1ya8 n GLY 176 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ya8 n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ya8 n PHE 177 N 0.20 0.00 -1.77 1.61 3.72 0.12 -1.47 117.46 119.87 1ya8 n PHE 177 Ca 0.03 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1ya8 n PHE 177 Cb 0.13 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 1ya8 n PHE 177 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1ya8 s PHE 178 N -0.01 2.84 -0.07 1.38 2.19 -0.56 -4.46 117.98 119.29 1ya8 s PHE 178 Ca 0.00 0.60 -0.05 0.00 0.33 0.00 0.00 56.93 57.81 1ya8 s PHE 178 Cb 0.00 -4.09 0.03 0.00 -1.31 0.00 0.00 43.02 37.65 1ya8 s PHE 178 CO 0.00 -3.87 0.17 0.45 1.83 0.00 0.00 175.22 173.80 1ya8 s SER 179 N 0.81 -0.16 0.00 6.13 0.15 -1.26 -4.20 113.70 115.17 1ya8 s SER 179 Ca 0.68 0.34 0.25 0.00 0.70 0.00 0.00 55.95 57.92 1ya8 s SER 179 Cb -0.48 0.29 0.41 0.00 -1.71 0.00 0.00 66.02 64.53 1ya8 s SER 179 CO 0.40 -0.10 1.36 0.35 1.20 0.00 0.00 173.24 176.46 1ya8 n THR 180 N 3.49 0.00 -0.99 6.45 -2.24 -0.72 -4.41 114.28 115.86 1ya8 n THR 180 Ca -0.18 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1ya8 n THR 180 Cb 0.56 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1ya8 n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ya8 n GLY 181 N 1.34 0.58 0.05 3.38 0.00 -1.26 -4.20 105.19 105.09 1ya8 n GLY 181 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ya8 n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ya8 n ASP 182 N -0.04 -0.01 0.22 1.61 3.85 -1.26 -4.99 116.55 115.92 1ya8 n ASP 182 Ca 0.00 -1.04 0.15 0.00 -0.71 0.00 0.00 54.79 53.20 1ya8 n ASP 182 Cb 0.02 0.03 0.66 0.00 -1.35 0.00 0.00 41.12 40.48 1ya8 n ASP 182 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1ya8 h GLU 183 N 0.00 0.00 0.00 0.11 9.09 -1.96 -2.07 114.58 119.75 1ya8 h GLU 183 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ya8 h GLU 183 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1ya8 h GLU 183 CO 0.01 0.00 0.00 0.45 0.05 0.00 0.00 179.01 179.52 1ya8 h HIS 184 N 0.00 0.00 -0.12 2.06 3.86 -1.96 -3.38 115.15 115.61 1ya8 h HIS 184 Ca 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 1ya8 h HIS 184 Cb 0.36 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.69 1ya8 h HIS 184 CO 0.00 0.00 -0.25 0.45 0.86 0.00 0.00 177.93 178.99 1ya8 n SER 185 N -2.59 -2.09 -0.05 2.45 2.88 -1.04 -4.95 113.62 108.23 1ya8 n SER 185 Ca 0.03 -2.32 -0.14 0.00 -1.33 0.00 0.00 58.87 55.11 1ya8 n SER 185 Cb 0.32 1.21 -0.09 0.00 -0.75 0.00 0.00 64.21 64.90 1ya8 n SER 185 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ya8 h ARG 186 N 3.75 -0.46 0.00 -1.46 3.08 -1.57 -1.92 114.38 115.80 1ya8 h ARG 186 Ca -0.15 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1ya8 h ARG 186 Cb 1.13 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1ya8 h ARG 186 CO 0.02 -0.31 0.00 0.41 -1.07 0.00 0.00 179.97 179.02 1ya8 n GLY 187 N -1.38 0.39 2.37 0.04 0.00 -1.26 -4.51 105.19 100.83 1ya8 n GLY 187 Ca -0.05 -2.31 -0.14 0.00 0.00 0.00 0.00 46.02 43.52 1ya8 n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ya8 n ASN 188 N 0.02 -4.59 -0.34 1.61 3.02 -1.25 -4.88 115.26 108.84 1ya8 n ASN 188 Ca 0.00 0.23 0.18 0.00 -0.03 0.00 0.00 54.58 54.95 1ya8 n ASN 188 Cb 0.00 -3.48 0.39 0.00 -0.61 0.00 0.00 39.78 36.08 1ya8 n ASN 188 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1ya8 h TRP 189 N 0.00 0.98 -0.33 3.10 -0.00 -1.67 -0.63 115.95 117.41 1ya8 h TRP 189 Ca -0.31 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.63 1ya8 h TRP 189 Cb 1.04 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.89 1ya8 h TRP 189 CO 0.39 0.09 0.20 0.78 -0.00 0.00 0.00 178.44 179.90 1ya8 h GLY 190 N 0.59 0.46 1.48 1.49 0.00 -1.46 -0.52 103.07 105.10 1ya8 h GLY 190 Ca 0.63 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.75 1ya8 h GLY 190 CO -0.44 0.15 0.05 0.45 0.00 0.00 0.00 176.54 176.75 1ya8 h HIS 191 N 0.42 0.68 -0.56 5.60 3.86 -1.43 -1.30 115.15 122.41 1ya8 h HIS 191 Ca 0.12 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 1ya8 h HIS 191 Cb -0.02 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 1ya8 h HIS 191 CO -0.06 0.61 0.09 -0.07 0.86 0.00 0.00 177.93 179.36 1ya8 h LEU 192 N 0.63 0.85 -0.79 2.43 3.38 -0.76 0.12 115.31 121.15 1ya8 h LEU 192 Ca 0.14 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1ya8 h LEU 192 Cb 0.31 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1ya8 h LEU 192 CO 0.01 0.86 0.30 0.44 0.09 0.00 0.00 178.44 180.13 1ya8 h ASP 193 N 0.85 1.11 0.42 -0.43 3.32 -0.25 0.28 116.42 121.71 1ya8 h ASP 193 Ca 0.18 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1ya8 h ASP 193 Cb 0.38 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1ya8 h ASP 193 CO 0.01 0.99 -0.20 1.56 -1.72 0.00 0.00 179.24 179.88 1ya8 h GLN 194 N 1.16 -0.54 -0.99 3.56 4.20 -0.50 -0.53 115.11 121.46 1ya8 h GLN 194 Ca 0.26 0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.18 1ya8 h GLN 194 Cb 0.24 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 28.05 1ya8 h GLN 194 CO -0.02 -0.27 0.62 0.28 -0.67 0.00 0.00 178.83 178.77 1ya8 h VAL 195 N -0.74 0.76 -0.79 -0.54 2.07 -0.52 -0.67 116.25 115.82 1ya8 h VAL 195 Ca -0.06 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1ya8 h VAL 195 Cb 0.52 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 1ya8 h VAL 195 CO 0.09 0.14 0.50 0.00 0.02 0.00 0.00 177.57 178.33 1ya8 h ALA 196 N 1.62 1.04 0.00 1.67 0.00 0.29 -2.01 119.26 121.86 1ya8 h ALA 196 Ca 0.54 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.34 1ya8 h ALA 196 Cb 0.83 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ya8 h ALA 196 CO -0.32 0.31 -0.42 0.00 0.00 0.00 0.00 179.25 178.82 1ya8 h ALA 197 N 1.33 1.18 -0.12 0.00 0.00 0.42 -1.67 119.26 120.40 1ya8 h ALA 197 Ca 0.32 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1ya8 h ALA 197 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ya8 h ALA 197 CO -0.11 0.53 -0.48 -0.07 0.00 0.00 0.00 179.25 179.12 1ya8 h LEU 198 N 0.00 0.32 -0.29 0.00 3.38 -0.84 -1.04 115.31 116.84 1ya8 h LEU 198 Ca -0.00 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 1ya8 h LEU 198 Cb 0.81 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1ya8 h LEU 198 CO 0.05 0.76 -0.72 0.03 0.09 0.00 0.00 178.44 178.65 1ya8 h ARG 199 N 0.24 0.64 -0.51 1.13 3.08 -1.09 -1.25 114.38 116.62 1ya8 h ARG 199 Ca 0.01 -0.50 0.01 0.00 0.07 0.00 0.00 59.98 59.57 1ya8 h ARG 199 Cb 0.94 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 1ya8 h ARG 199 CO 0.08 1.12 0.34 2.35 -1.07 0.00 0.00 179.97 182.78 1ya8 h TRP 200 N 0.45 0.64 -0.46 3.04 7.01 -0.97 -2.14 115.95 123.51 1ya8 h TRP 200 Ca -0.03 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1ya8 h TRP 200 Cb 1.32 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 28.14 1ya8 h TRP 200 CO 0.07 0.40 0.29 0.28 -2.79 0.00 0.00 178.44 176.68 1ya8 h VAL 201 N 0.69 1.13 -0.42 2.65 2.07 -1.06 0.79 116.25 122.10 1ya8 h VAL 201 Ca 0.19 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1ya8 h VAL 201 Cb -0.07 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1ya8 h VAL 201 CO -0.05 0.13 0.29 -0.61 0.02 0.00 0.00 177.57 177.36 1ya8 h GLN 202 N 0.62 0.18 0.00 1.57 4.15 -0.79 0.47 115.11 121.31 1ya8 h GLN 202 Ca 0.17 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1ya8 h GLN 202 Cb -0.04 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1ya8 h GLN 202 CO -0.03 0.12 -1.38 -0.25 -1.93 0.00 0.00 178.83 175.36 1ya8 n ASP 203 N -4.46 0.48 0.00 -0.69 8.00 -0.75 -4.70 116.55 114.44 1ya8 n ASP 203 Ca 0.06 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1ya8 n ASP 203 Cb 0.37 1.12 0.00 0.00 -0.02 0.00 0.00 41.12 42.59 1ya8 n ASP 203 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ya8 n ASN 204 N -2.31 3.57 0.11 -2.24 3.02 0.20 -4.80 115.26 112.80 1ya8 n ASN 204 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 1ya8 n ASN 204 Cb 0.52 0.59 0.29 0.00 -0.61 0.00 0.00 39.78 40.57 1ya8 n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ya8 n ILE 205 N -1.24 0.97 0.12 2.41 0.13 0.12 -0.87 119.36 121.00 1ya8 n ILE 205 Ca 0.00 0.66 -0.01 0.00 -1.10 0.00 0.00 62.75 62.31 1ya8 n ILE 205 Cb 0.12 -1.66 0.08 0.00 -0.84 0.00 0.00 39.64 37.34 1ya8 n ILE 205 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ya8 h ALA 206 N 1.44 0.70 0.00 1.51 0.00 -1.80 0.54 119.26 121.65 1ya8 h ALA 206 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1ya8 h ALA 206 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ya8 h ALA 206 CO 0.00 0.83 0.00 0.43 0.00 0.00 0.00 179.25 180.51 1ya8 n SER 207 N -3.46 0.56 -0.88 0.00 7.64 -0.05 -2.00 113.62 115.43 1ya8 n SER 207 Ca 0.00 0.65 0.07 0.00 1.01 0.00 0.00 58.87 60.61 1ya8 n SER 207 Cb 0.73 -0.76 0.22 0.00 -1.01 0.00 0.00 64.21 63.39 1ya8 n SER 207 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ya8 n PHE 208 N -2.13 0.78 -0.55 1.43 3.01 -1.10 -4.81 117.46 114.10 1ya8 n PHE 208 Ca 0.02 -0.64 0.00 0.00 1.01 0.00 0.00 57.45 57.84 1ya8 n PHE 208 Cb 0.19 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 1ya8 n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya8 n GLY 209 N 0.32 0.71 3.97 1.37 0.00 -0.85 -4.78 105.19 105.93 1ya8 n GLY 209 Ca 0.17 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1ya8 n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ya8 s GLY 210 N -2.10 1.55 -0.41 -0.02 0.00 0.16 -0.61 107.32 105.89 1ya8 s GLY 210 Ca 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 44.72 43.47 1ya8 s GLY 210 CO 0.00 -1.07 0.21 0.21 0.00 0.00 0.00 173.10 172.45 1ya8 s ASN 211 N -4.18 5.38 0.46 1.64 2.47 -0.19 -3.97 114.94 116.54 1ya8 s ASN 211 Ca 0.46 -1.77 0.26 0.00 0.42 0.00 0.00 52.86 52.23 1ya8 s ASN 211 Cb -0.10 -1.88 1.40 0.00 -1.45 0.00 0.00 41.25 39.22 1ya8 s ASN 211 CO 0.35 -0.53 1.77 1.55 -3.72 0.00 0.00 177.10 176.52 1ya8 h PRO 212 N 8.20 0.00 -0.00 0.43 0.13 -1.89 0.01 132.00 138.88 1ya8 h PRO 212 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1ya8 h PRO 212 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ya8 h PRO 212 CO 0.72 0.00 -0.02 0.41 -0.23 0.00 0.00 178.00 178.87 1ya8 n GLY 213 N -1.23 -1.18 2.20 1.56 0.00 -1.26 -4.23 105.19 101.04 1ya8 n GLY 213 Ca -0.02 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1ya8 n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ya8 n SER 214 N -1.18 0.18 -4.57 1.61 2.88 -0.01 -4.92 113.62 107.62 1ya8 n SER 214 Ca 0.15 -2.69 -0.36 0.00 -1.33 0.00 0.00 58.87 54.65 1ya8 n SER 214 Cb 0.23 -0.64 -0.11 0.00 -0.75 0.00 0.00 64.21 62.95 1ya8 n SER 214 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ya8 s VAL 215 N -1.14 4.84 -0.18 2.46 1.01 -1.26 -1.83 120.40 124.31 1ya8 s VAL 215 Ca 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 1ya8 s VAL 215 Cb 0.16 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1ya8 s VAL 215 CO -0.11 0.36 0.01 -0.89 0.00 0.00 0.00 175.10 174.47 1ya8 s THR 216 N 1.16 4.25 -0.14 3.92 2.01 0.33 0.05 115.64 127.23 1ya8 s THR 216 Ca 0.06 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 1ya8 s THR 216 Cb -0.14 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1ya8 s THR 216 CO 0.04 0.46 -0.01 0.27 -0.69 0.00 0.00 174.62 174.70 1ya8 s ILE 217 N 0.53 4.21 0.01 1.82 -4.36 -0.94 0.01 121.20 122.47 1ya8 s ILE 217 Ca -0.00 -0.26 -0.09 0.00 -0.26 0.00 0.00 60.65 60.04 1ya8 s ILE 217 Cb -0.14 -2.83 0.01 0.00 1.25 0.00 0.00 42.46 40.75 1ya8 s ILE 217 CO 0.02 0.53 0.18 0.72 0.24 0.00 0.00 174.94 176.62 1ya8 s PHE 218 N -0.08 0.01 0.13 1.37 -0.71 -0.31 -1.65 117.98 116.73 1ya8 s PHE 218 Ca 0.03 -0.10 -0.25 0.00 -1.04 0.00 0.00 56.93 55.58 1ya8 s PHE 218 Cb -0.13 -0.02 0.07 0.00 -1.21 0.00 0.00 43.02 41.73 1ya8 s PHE 218 CO 0.02 -0.33 0.75 0.20 -1.34 0.00 0.00 175.22 174.52 1ya8 s GLY 219 N -1.51 -0.44 0.00 1.99 0.00 -1.16 -0.79 107.32 105.41 1ya8 s GLY 219 Ca -0.13 0.48 0.07 0.00 0.00 0.00 0.00 44.72 45.15 1ya8 s GLY 219 CO 0.01 0.15 -0.23 1.85 0.00 0.00 0.00 173.10 174.89 1ya8 s GLU 220 N -3.52 2.09 7.91 2.90 -6.30 -1.22 -0.97 118.70 119.58 1ya8 s GLU 220 Ca 0.05 -0.95 0.00 0.00 -2.50 0.00 0.00 54.97 51.58 1ya8 s GLU 220 Cb -0.02 -2.11 0.00 0.00 0.00 0.00 0.00 34.13 32.00 1ya8 s GLU 220 CO -0.07 0.55 0.00 0.45 0.02 0.00 0.00 175.26 176.22 1ya8 n SER 221 N 2.08 0.00 -0.05 -1.70 2.88 -0.40 -1.05 113.62 115.37 1ya8 n SER 221 Ca -0.16 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.50 1ya8 n SER 221 Cb 0.52 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.51 1ya8 n SER 221 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ya8 h ALA 222 N -0.83 2.08 -0.18 -1.46 0.00 -1.87 0.35 119.26 117.35 1ya8 h ALA 222 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1ya8 h ALA 222 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ya8 h ALA 222 CO 0.00 -0.20 -0.44 0.78 0.00 0.00 0.00 179.25 179.38 1ya8 h GLY 223 N 0.34 0.47 1.64 0.00 0.00 -1.17 0.16 103.07 104.50 1ya8 h GLY 223 Ca 0.26 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 1ya8 h GLY 223 CO -0.06 0.43 -0.53 -1.33 0.00 0.00 0.00 176.54 175.05 1ya8 h GLY 224 N 1.15 0.41 1.10 4.60 0.00 -0.47 -1.02 103.07 108.85 1ya8 h GLY 224 Ca 0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1ya8 h GLY 224 CO 0.08 0.42 0.18 -2.09 0.00 0.00 0.00 176.54 175.13 1ya8 h GLU 225 N 0.30 1.12 -0.37 4.80 4.22 0.14 -1.28 114.58 123.51 1ya8 h GLU 225 Ca 0.01 -0.26 -0.04 0.00 0.08 0.00 0.00 59.36 59.15 1ya8 h GLU 225 Cb 1.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1ya8 h GLU 225 CO 0.09 0.98 0.08 0.77 -2.18 0.00 0.00 179.01 178.75 1ya8 h SER 226 N 1.06 0.56 -0.59 1.04 0.02 -0.28 -1.43 113.55 113.94 1ya8 h SER 226 Ca 0.22 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1ya8 h SER 226 Cb 0.36 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1ya8 h SER 226 CO 0.00 0.66 0.37 0.58 -1.14 0.00 0.00 176.83 177.30 1ya8 h VAL 227 N 0.44 1.10 -0.23 2.27 2.07 -0.86 -0.28 116.25 120.76 1ya8 h VAL 227 Ca 0.11 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1ya8 h VAL 227 Cb 0.32 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1ya8 h VAL 227 CO 0.00 0.14 0.01 -1.28 0.02 0.00 0.00 177.57 176.46 1ya8 h SER 228 N 0.75 -0.06 -0.48 0.57 0.87 -0.97 -0.85 113.55 113.37 1ya8 h SER 228 Ca 0.23 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1ya8 h SER 228 Cb -0.02 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1ya8 h SER 228 CO -0.08 -0.00 0.31 0.58 -0.53 0.00 0.00 176.83 177.10 1ya8 h VAL 229 N 0.09 1.09 -0.25 2.23 2.07 -0.79 -1.86 116.25 118.82 1ya8 h VAL 229 Ca 0.11 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1ya8 h VAL 229 Cb 0.13 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1ya8 h VAL 229 CO -0.17 0.11 0.07 -0.07 0.02 0.00 0.00 177.57 177.53 1ya8 h LEU 230 N 0.62 0.32 -1.71 2.57 3.38 -0.64 -0.38 115.31 119.46 1ya8 h LEU 230 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ya8 h LEU 230 Cb -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ya8 h LEU 230 CO -0.06 0.32 0.00 0.58 0.09 0.00 0.00 178.44 179.37 1ya8 h VAL 231 N 0.35 0.00 -0.02 1.22 2.07 -0.32 -2.62 116.25 116.93 1ya8 h VAL 231 Ca 0.09 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1ya8 h VAL 231 Cb 0.13 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ya8 h VAL 231 CO -0.01 0.00 -0.13 0.18 0.02 0.00 0.00 177.57 177.64 1ya8 n LEU 232 N -3.06 2.44 -4.71 2.57 4.77 -0.22 -4.97 117.00 113.82 1ya8 n LEU 232 Ca -0.00 -0.93 -0.35 0.00 -0.03 0.00 0.00 56.01 54.70 1ya8 n LEU 232 Cb 0.26 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 1ya8 n LEU 232 CO 0.26 0.43 -0.22 -0.55 -1.33 0.00 0.00 177.39 175.97 1ya8 s SER 233 N -1.86 5.88 0.53 -1.43 0.15 -0.79 -4.88 113.70 111.29 1ya8 s SER 233 Ca 0.22 0.20 0.25 0.00 0.70 0.00 0.00 55.95 57.32 1ya8 s SER 233 Cb 0.17 -1.97 1.49 0.00 -1.71 0.00 0.00 66.02 64.01 1ya8 s SER 233 CO 0.33 0.24 2.13 -0.65 1.20 0.00 0.00 173.24 176.49 1ya8 h PRO 234 N 6.21 0.00 0.00 5.44 0.11 -1.87 -2.23 132.00 139.66 1ya8 h PRO 234 Ca -0.43 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1ya8 h PRO 234 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1ya8 h PRO 234 CO 0.68 0.08 -0.34 -0.07 -0.21 0.00 0.00 178.00 178.14 1ya8 h LEU 235 N 0.00 0.00 -0.32 2.35 3.38 -1.85 -2.71 115.31 116.15 1ya8 h LEU 235 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ya8 h LEU 235 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ya8 h LEU 235 CO 0.01 0.34 -0.53 0.00 0.09 0.00 0.00 178.44 178.35 1ya8 n ALA 236 N -2.42 3.67 -1.65 1.53 0.00 -0.84 -4.94 120.51 115.85 1ya8 n ALA 236 Ca -0.02 -0.47 -0.52 0.00 0.00 0.00 0.00 53.44 52.43 1ya8 n ALA 236 Cb 0.40 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 1ya8 n ALA 236 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ya8 n LYS 237 N -0.99 1.44 -1.68 0.00 4.81 -1.03 -1.43 118.16 119.29 1ya8 n LYS 237 Ca 0.08 0.52 -0.07 0.00 -0.87 0.00 0.00 58.31 57.97 1ya8 n LYS 237 Cb 0.36 -2.23 -0.02 0.00 0.02 0.00 0.00 35.03 33.17 1ya8 n LYS 237 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ya8 n ASN 238 N 4.11 -3.32 -0.00 3.14 3.02 -1.26 -4.89 115.26 116.06 1ya8 n ASN 238 Ca 0.21 0.09 0.02 0.00 -0.03 0.00 0.00 54.58 54.87 1ya8 n ASN 238 Cb 0.20 -2.06 -0.03 0.00 -0.61 0.00 0.00 39.78 37.29 1ya8 n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ya8 n LEU 239 N -0.95 0.10 -4.03 3.41 4.77 -0.51 -5.03 117.00 114.75 1ya8 n LEU 239 Ca -0.08 -0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 55.55 1ya8 n LEU 239 Cb 0.40 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 1ya8 n LEU 239 CO 0.11 0.03 -0.23 0.72 -1.33 0.00 0.00 177.39 176.68 1ya8 s PHE 240 N -1.79 0.51 0.00 -1.77 -0.71 -1.26 -4.84 117.98 108.12 1ya8 s PHE 240 Ca 0.00 -0.96 0.00 0.00 -1.04 0.00 0.00 56.93 54.93 1ya8 s PHE 240 Cb 0.03 -0.29 0.00 0.00 -1.21 0.00 0.00 43.02 41.55 1ya8 s PHE 240 CO 0.17 -0.51 0.42 0.72 -1.34 0.00 0.00 175.22 174.68 1ya8 n HIS 241 N -0.03 0.00 -3.49 3.49 8.25 0.11 -4.93 115.22 118.61 1ya8 n HIS 241 Ca -0.11 -0.07 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 1ya8 n HIS 241 Cb 0.62 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.71 1ya8 n HIS 241 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ya8 s ARG 242 N -0.13 1.19 -0.21 -0.41 0.52 -1.20 -4.34 118.95 114.37 1ya8 s ARG 242 Ca 0.00 -0.48 -0.20 0.00 -0.52 0.00 0.00 55.73 54.54 1ya8 s ARG 242 Cb 0.00 0.53 0.05 0.00 0.52 0.00 0.00 34.95 36.05 1ya8 s ARG 242 CO 0.00 -0.53 0.57 0.00 0.02 0.00 0.00 175.30 175.36 1ya8 s ALA 243 N -3.57 -1.40 -0.04 2.13 0.00 -0.92 -2.22 121.76 115.74 1ya8 s ALA 243 Ca 0.03 1.57 0.03 0.00 0.00 0.00 0.00 51.96 53.60 1ya8 s ALA 243 Cb -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1ya8 s ALA 243 CO -0.10 -0.27 -0.11 0.42 0.00 0.00 0.00 175.76 175.70 1ya8 s ILE 244 N 0.24 0.97 -0.22 0.00 1.01 -0.66 -0.33 121.20 122.22 1ya8 s ILE 244 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1ya8 s ILE 244 Cb -0.04 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.60 1ya8 s ILE 244 CO 0.01 0.30 -0.15 -0.44 0.00 0.00 0.00 174.94 174.66 1ya8 s SER 245 N 0.24 3.75 -0.66 3.58 0.01 0.17 -2.98 113.70 117.81 1ya8 s SER 245 Ca -0.05 -0.91 -0.16 0.00 1.31 0.00 0.00 55.95 56.15 1ya8 s SER 245 Cb -0.10 -1.54 0.16 0.00 0.21 0.00 0.00 66.02 64.75 1ya8 s SER 245 CO 0.01 -0.08 0.63 -1.61 0.41 0.00 0.00 173.24 172.60 1ya8 s GLU 246 N 1.24 3.23 -0.76 12.44 2.02 -0.14 -1.53 118.70 135.20 1ya8 s GLU 246 Ca -0.00 -1.97 -0.03 0.00 0.02 0.00 0.00 54.97 53.00 1ya8 s GLU 246 Cb -0.16 -4.36 -0.03 0.00 0.10 0.00 0.00 34.13 29.68 1ya8 s GLU 246 CO -0.09 -1.34 0.69 0.43 0.02 0.00 0.00 175.26 174.97 1ya8 n SER 247 N 4.87 -6.44 0.00 -0.19 7.64 0.13 -1.28 113.62 118.35 1ya8 n SER 247 Ca -0.03 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1ya8 n SER 247 Cb 0.43 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 1ya8 n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ya8 n GLY 248 N -1.46 3.19 1.61 0.23 0.00 -1.26 -2.57 105.19 104.93 1ya8 n GLY 248 Ca -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1ya8 n GLY 248 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ya8 n VAL 249 N 0.00 0.00 -0.09 1.61 0.24 -1.26 -3.37 118.33 115.45 1ya8 n VAL 249 Ca 0.00 -1.19 -0.11 0.00 -2.04 0.00 0.00 64.34 61.00 1ya8 n VAL 249 Cb 0.00 0.61 -0.04 0.00 -1.47 0.00 0.00 33.84 32.94 1ya8 n VAL 249 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ya8 h ALA 250 N 1.55 0.37 0.00 2.33 0.00 -1.87 -2.82 119.26 118.83 1ya8 h ALA 250 Ca -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ya8 h ALA 250 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ya8 h ALA 250 CO 0.17 0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.43 1ya8 h LEU 251 N 0.27 0.00 -6.87 0.00 3.38 -1.95 -3.37 115.31 106.78 1ya8 h LEU 251 Ca 0.08 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.61 1ya8 h LEU 251 Cb 0.37 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.23 1ya8 h LEU 251 CO 0.01 0.00 1.24 0.41 0.09 0.00 0.00 178.44 180.19 1ya8 n THR 252 N -2.67 0.00 -0.09 0.22 -1.04 -1.06 -4.72 114.28 104.92 1ya8 n THR 252 Ca -0.01 -0.03 -0.02 0.00 -2.04 0.00 0.00 64.05 61.95 1ya8 n THR 252 Cb 0.13 -1.78 -0.02 0.00 -1.82 0.00 0.00 70.33 66.84 1ya8 n THR 252 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ya8 n SER 253 N 7.91 -0.23 -0.29 8.00 7.64 -1.26 -2.10 113.62 133.29 1ya8 n SER 253 Ca 0.36 0.40 0.27 0.00 1.01 0.00 0.00 58.87 60.90 1ya8 n SER 253 Cb 0.33 -0.06 0.48 0.00 -1.01 0.00 0.00 64.21 63.95 1ya8 n SER 253 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ya8 n VAL 254 N -4.29 -0.27 1.36 0.44 3.14 -1.26 0.12 118.33 117.58 1ya8 n VAL 254 Ca 0.01 1.48 0.13 0.00 -2.96 0.00 0.00 64.34 63.00 1ya8 n VAL 254 Cb 0.06 -2.42 0.41 0.00 -1.06 0.00 0.00 33.84 30.84 1ya8 n VAL 254 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1ya8 n LEU 255 N -4.52 1.73 -3.95 6.55 4.77 -0.89 -4.69 117.00 115.99 1ya8 n LEU 255 Ca 0.30 -0.57 -0.30 0.00 -0.03 0.00 0.00 56.01 55.40 1ya8 n LEU 255 Cb 1.07 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 42.00 1ya8 n LEU 255 CO 0.06 0.29 -0.25 -0.69 -1.33 0.00 0.00 177.39 175.47 1ya8 s VAL 256 N -2.08 2.29 0.25 4.08 1.01 0.33 -0.43 120.40 125.86 1ya8 s VAL 256 Ca 0.34 -2.79 -0.30 0.00 0.00 0.00 0.00 61.98 59.22 1ya8 s VAL 256 Cb 0.20 -2.64 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 1ya8 s VAL 256 CO 0.36 -0.72 1.50 -0.54 0.00 0.00 0.00 175.10 175.70 1ya8 s LYS 257 N 0.31 4.22 0.11 2.72 -0.14 -0.36 -4.87 119.74 121.73 1ya8 s LYS 257 Ca 0.14 2.39 0.06 0.00 -1.36 0.00 0.00 55.97 57.21 1ya8 s LYS 257 Cb -0.23 -3.09 -0.04 0.00 -1.68 0.00 0.00 37.83 32.80 1ya8 s LYS 257 CO -0.04 -0.51 -0.15 0.15 -0.76 0.00 0.00 175.35 174.04 1ya8 s LYS 258 N -0.20 1.01 0.44 1.68 1.02 -1.26 -4.54 119.74 117.89 1ya8 s LYS 258 Ca 0.62 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1ya8 s LYS 258 Cb -0.44 -0.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.89 1ya8 s LYS 258 CO 0.43 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.47 1ya8 n GLY 259 N 0.73 -1.59 3.68 -3.33 0.00 -1.26 -4.86 105.19 98.55 1ya8 n GLY 259 Ca -0.17 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1ya8 n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya8 s ASP 260 N -4.00 7.01 0.05 1.61 2.15 -1.26 -4.92 116.67 117.31 1ya8 s ASP 260 Ca 0.00 1.25 0.24 0.00 0.43 0.00 0.00 52.55 54.47 1ya8 s ASP 260 Cb 0.00 -2.47 0.30 0.00 -0.30 0.00 0.00 42.92 40.44 1ya8 s ASP 260 CO 0.00 -0.40 1.26 0.52 -0.17 0.00 0.00 175.17 176.38 1ya8 n VAL 261 N 4.67 0.17 -0.24 1.11 0.31 -1.26 -4.34 118.33 118.75 1ya8 n VAL 261 Ca 0.05 -0.16 0.04 0.00 -0.01 0.00 0.00 64.34 64.26 1ya8 n VAL 261 Cb 0.49 0.13 0.15 0.00 -0.91 0.00 0.00 33.84 33.69 1ya8 n VAL 261 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ya8 h LYS 262 N 0.00 0.13 -0.73 5.55 1.63 -1.82 -1.24 116.57 120.09 1ya8 h LYS 262 Ca 0.00 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1ya8 h LYS 262 Cb 0.65 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.19 1ya8 h LYS 262 CO 0.00 0.08 0.41 -1.35 -3.45 0.00 0.00 179.45 175.15 1ya8 h PRO 263 N 0.13 0.73 -0.40 1.90 0.11 -1.94 -1.03 132.00 131.49 1ya8 h PRO 263 Ca 0.39 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.32 1ya8 h PRO 263 Cb 0.67 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1ya8 h PRO 263 CO -0.60 0.48 -0.30 1.25 -0.21 0.00 0.00 178.00 178.62 1ya8 h LEU 264 N 0.75 0.91 -0.40 2.35 7.12 -1.59 -0.97 115.31 123.48 1ya8 h LEU 264 Ca 0.33 -0.38 0.04 0.00 0.13 0.00 0.00 57.88 58.01 1ya8 h LEU 264 Cb 0.22 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 40.05 1ya8 h LEU 264 CO -0.19 1.14 0.16 0.00 -0.13 0.00 0.00 178.44 179.42 1ya8 h ALA 265 N 0.91 0.48 -0.33 1.25 0.00 -0.64 -0.53 119.26 120.41 1ya8 h ALA 265 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ya8 h ALA 265 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ya8 h ALA 265 CO 0.08 -0.22 0.08 0.93 0.00 0.00 0.00 179.25 180.11 1ya8 h GLU 266 N 0.33 0.52 -0.99 0.00 5.08 -1.05 0.13 114.58 118.61 1ya8 h GLU 266 Ca 0.18 -0.12 0.15 0.00 -1.00 0.00 0.00 59.36 58.57 1ya8 h GLU 266 Cb 0.14 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 1ya8 h GLU 266 CO -0.17 0.58 0.60 1.96 -1.00 0.00 0.00 179.01 180.98 1ya8 h GLN 267 N 0.37 0.84 -0.18 2.33 4.20 -0.71 0.77 115.11 122.72 1ya8 h GLN 267 Ca 0.10 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 1ya8 h GLN 267 Cb 0.29 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1ya8 h GLN 267 CO 0.00 0.55 -0.35 0.82 -0.67 0.00 0.00 178.83 179.18 1ya8 h ILE 268 N 0.86 1.34 -0.29 2.54 2.04 -0.46 -2.59 117.51 120.94 1ya8 h ILE 268 Ca 0.53 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.81 1ya8 h ILE 268 Cb 0.67 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 1ya8 h ILE 268 CO -0.32 0.49 0.14 0.00 0.00 0.00 0.00 178.15 178.45 1ya8 h ALA 269 N 0.58 0.35 -0.23 1.87 0.00 0.40 -1.98 119.26 120.26 1ya8 h ALA 269 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ya8 h ALA 269 Cb 0.95 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ya8 h ALA 269 CO 0.08 -0.25 0.13 0.82 0.00 0.00 0.00 179.25 180.03 1ya8 h ILE 270 N 0.29 1.09 -0.72 0.00 2.04 -0.93 -0.77 117.51 118.51 1ya8 h ILE 270 Ca 0.12 -0.23 0.11 0.00 1.00 0.00 0.00 64.86 65.86 1ya8 h ILE 270 Cb 0.05 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1ya8 h ILE 270 CO -0.09 0.09 0.48 0.74 0.00 0.00 0.00 178.15 179.36 1ya8 h THR 271 N 0.27 0.90 -0.00 -0.27 2.02 -1.16 0.99 112.91 115.66 1ya8 h THR 271 Ca 0.08 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1ya8 h THR 271 Cb 0.03 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1ya8 h THR 271 CO -0.01 0.10 -0.03 0.00 0.37 0.00 0.00 175.52 175.95 1ya8 n ALA 272 N -2.48 2.57 -1.83 6.16 0.00 -0.77 -4.91 120.51 119.24 1ya8 n ALA 272 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ya8 n ALA 272 Cb 0.38 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1ya8 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ya8 n GLY 273 N 1.26 0.93 3.61 0.00 0.00 0.34 -5.04 105.19 106.30 1ya8 n GLY 273 Ca 0.15 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 1ya8 n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 n LYS 275 N -0.91 -1.27 -0.81 0.00 5.02 -1.26 -4.30 118.16 114.63 1ya8 n LYS 275 Ca -0.04 -1.87 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 1ya8 n LYS 275 Cb 0.62 -1.27 -0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1ya8 n LYS 275 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ya8 n THR 276 N -3.73 0.00 -0.15 -0.18 -2.24 -1.26 -4.58 114.28 102.14 1ya8 n THR 276 Ca 0.15 -0.26 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1ya8 n THR 276 Cb 0.53 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 69.33 1ya8 n THR 276 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ya8 h THR 277 N 6.44 0.49 -3.79 4.28 2.02 -1.95 -3.44 112.91 116.94 1ya8 h THR 277 Ca -0.12 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 1ya8 h THR 277 Cb 1.46 0.49 -0.14 0.00 -1.74 0.00 0.00 68.15 68.22 1ya8 h THR 277 CO -0.00 0.00 -0.35 0.42 0.37 0.00 0.00 175.52 175.96 1ya8 s THR 278 N -6.21 0.13 0.19 3.16 -4.23 -1.26 -5.02 115.64 102.41 1ya8 s THR 278 Ca -0.14 -1.17 -0.12 0.00 -1.18 0.00 0.00 61.69 59.08 1ya8 s THR 278 Cb 0.16 -1.38 0.12 0.00 1.34 0.00 0.00 72.50 72.74 1ya8 s THR 278 CO 0.71 -0.60 1.71 0.28 -0.54 0.00 0.00 174.62 176.19 1ya8 h SER 279 N 2.71 -0.02 -0.95 3.99 0.02 -1.96 0.02 113.55 117.36 1ya8 h SER 279 Ca -0.34 0.10 0.07 0.00 -0.84 0.00 0.00 61.79 60.78 1ya8 h SER 279 Cb 1.21 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.82 1ya8 h SER 279 CO 0.55 0.02 0.61 0.00 -1.14 0.00 0.00 176.83 176.87 1ya8 h ALA 280 N 1.41 1.48 -0.25 3.77 0.00 -1.97 -0.96 119.26 122.74 1ya8 h ALA 280 Ca 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1ya8 h ALA 280 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ya8 h ALA 280 CO -0.35 0.37 0.04 0.28 0.00 0.00 0.00 179.25 179.58 1ya8 h VAL 281 N 1.07 1.23 0.39 0.00 2.07 -1.46 -0.02 116.25 119.53 1ya8 h VAL 281 Ca 0.41 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1ya8 h VAL 281 Cb 0.22 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1ya8 h VAL 281 CO -0.16 0.25 -0.33 0.24 0.02 0.00 0.00 177.57 177.59 1ya8 h MET 282 N 0.22 -0.70 -0.53 1.57 2.86 -0.22 -1.25 114.93 116.89 1ya8 h MET 282 Ca 0.08 0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1ya8 h MET 282 Cb 0.34 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 1ya8 h MET 282 CO 0.01 -0.46 0.24 0.28 1.06 0.00 0.00 176.91 178.03 1ya8 h VAL 283 N -0.72 0.89 -0.76 -2.22 2.07 -1.18 -0.29 116.25 114.03 1ya8 h VAL 283 Ca -0.03 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.40 1ya8 h VAL 283 Cb 0.64 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1ya8 h VAL 283 CO -0.03 0.08 0.50 -0.74 0.02 0.00 0.00 177.57 177.41 1ya8 h HIS 284 N 0.46 0.82 -0.07 1.57 -0.00 -0.76 -0.63 115.15 116.54 1ya8 h HIS 284 Ca 0.25 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.55 1ya8 h HIS 284 Cb 0.21 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1ya8 h HIS 284 CO -0.12 0.43 -0.29 0.00 -0.00 0.00 0.00 177.93 177.94 1ya8 h LEU 286 N -0.19 0.21 -2.31 0.00 3.38 -0.89 -1.65 115.31 113.86 1ya8 h LEU 286 Ca -0.02 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ya8 h LEU 286 Cb 0.94 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1ya8 h LEU 286 CO 0.06 0.46 0.05 0.03 0.09 0.00 0.00 178.44 179.13 1ya8 h ARG 287 N 0.19 0.00 0.00 1.13 3.08 -1.12 -1.87 114.38 115.79 1ya8 h ARG 287 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ya8 h ARG 287 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1ya8 h ARG 287 CO 0.04 0.00 -0.59 1.96 -1.07 0.00 0.00 179.97 180.31 1ya8 h GLN 288 N 0.00 0.00 -7.29 0.04 4.20 -1.28 -3.46 115.11 107.31 1ya8 h GLN 288 Ca 0.02 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.25 1ya8 h GLN 288 Cb 0.12 0.00 0.17 0.00 0.30 0.00 0.00 27.48 28.06 1ya8 h GLN 288 CO -0.00 0.00 0.20 0.15 -0.67 0.00 0.00 178.83 178.51 1ya8 s LYS 289 N -3.22 0.84 0.23 1.46 -0.14 -0.70 -5.04 119.74 113.17 1ya8 s LYS 289 Ca 0.05 0.93 0.05 0.00 -1.36 0.00 0.00 55.97 55.64 1ya8 s LYS 289 Cb 0.11 -1.75 -0.03 0.00 -1.68 0.00 0.00 37.83 34.48 1ya8 s LYS 289 CO 0.72 -2.56 0.32 0.95 -0.76 0.00 0.00 175.35 174.02 1ya8 s THR 290 N -2.81 5.11 0.24 2.17 -4.23 -1.26 -4.95 115.64 109.91 1ya8 s THR 290 Ca 0.65 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.06 1ya8 s THR 290 Cb -0.20 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.14 1ya8 s THR 290 CO 0.58 -0.30 1.65 -0.08 -0.54 0.00 0.00 174.62 175.93 1ya8 h GLU 291 N 1.36 0.13 -0.28 3.99 4.81 -1.98 0.15 114.58 122.76 1ya8 h GLU 291 Ca -0.51 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.66 1ya8 h GLU 291 Cb 1.23 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1ya8 h GLU 291 CO 0.62 0.09 -0.07 0.93 -0.73 0.00 0.00 179.01 179.85 1ya8 h GLU 292 N 0.14 0.44 -0.33 1.92 5.08 -1.97 0.32 114.58 120.17 1ya8 h GLU 292 Ca 0.40 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 1ya8 h GLU 292 Cb 0.70 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1ya8 h GLU 292 CO -0.61 0.52 -0.10 0.93 -1.00 0.00 0.00 179.01 178.75 1ya8 h GLU 293 N 0.42 0.66 -0.07 2.33 5.08 -1.14 0.28 114.58 122.13 1ya8 h GLU 293 Ca 0.09 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 1ya8 h GLU 293 Cb 0.38 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1ya8 h GLU 293 CO 0.02 0.84 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.28 1ya8 h LEU 294 N 0.43 0.20 -0.27 1.33 3.38 -1.00 0.15 115.31 119.54 1ya8 h LEU 294 Ca 0.08 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1ya8 h LEU 294 Cb 0.61 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1ya8 h LEU 294 CO 0.04 0.69 -0.22 0.25 0.09 0.00 0.00 178.44 179.28 1ya8 h LEU 295 N 0.14 0.66 -1.15 1.67 5.85 -0.07 -0.06 115.31 122.36 1ya8 h LEU 295 Ca 0.00 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1ya8 h LEU 295 Cb 0.97 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1ya8 h LEU 295 CO 0.08 0.98 -0.33 1.05 -0.34 0.00 0.00 178.44 179.88 1ya8 h GLU 296 N 0.35 0.00 -0.29 1.25 4.11 -0.21 -1.25 114.58 118.55 1ya8 h GLU 296 Ca 0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.30 1ya8 h GLU 296 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1ya8 h GLU 296 CO 0.06 0.33 -0.53 1.15 0.07 0.00 0.00 179.01 180.09 1ya8 h THR 297 N 0.00 1.28 -0.35 -1.06 2.02 -0.43 -2.61 112.91 111.77 1ya8 h THR 297 Ca -0.00 -1.71 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 1ya8 h THR 297 Cb 0.77 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 1ya8 h THR 297 CO 0.04 0.56 0.19 0.74 0.37 0.00 0.00 175.52 177.42 1ya8 h THR 298 N 0.67 1.14 -0.01 3.16 2.02 -0.52 -2.47 112.91 116.90 1ya8 h THR 298 Ca 0.02 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1ya8 h THR 298 Cb 1.13 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1ya8 h THR 298 CO 0.12 0.14 -0.10 -0.07 0.37 0.00 0.00 175.52 175.98 1ya8 h LEU 299 N 0.44 0.01 -0.27 2.58 3.38 -1.18 -2.82 115.31 117.45 1ya8 h LEU 299 Ca 0.12 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1ya8 h LEU 299 Cb 0.06 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ya8 h LEU 299 CO -0.02 0.11 -0.87 0.11 0.09 0.00 0.00 178.44 177.87 1ya8 h LYS 300 N 0.01 0.34 0.00 1.13 1.57 -1.05 -3.20 116.57 115.37 1ya8 h LYS 300 Ca 0.00 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1ya8 h LYS 300 Cb 0.18 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ya8 h LYS 300 CO 0.01 1.02 -0.08 0.52 -0.57 0.00 0.00 179.45 180.36 1ya8 h MET 301 N 0.20 0.00 -6.44 3.15 2.86 -1.22 -3.47 114.93 110.02 1ya8 h MET 301 Ca -0.06 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.10 1ya8 h MET 301 Cb 1.48 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.12 1ya8 h MET 301 CO 0.14 0.08 -0.90 1.63 1.06 0.00 0.00 176.91 178.92 1ya8 n LYS 302 N -3.30 -2.80 -0.30 1.72 5.02 -1.21 -4.86 118.16 112.44 1ya8 n LYS 302 Ca -0.01 0.41 -0.02 0.00 -2.02 0.00 0.00 58.31 56.67 1ya8 n LYS 302 Cb 0.27 -4.39 0.11 0.00 -0.02 0.00 0.00 35.03 31.00 1ya8 n LYS 302 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1ya8 h PHE 303 N -1.88 0.97 0.82 2.13 -1.00 -1.89 -3.25 116.94 112.84 1ya8 h PHE 303 Ca -0.64 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.13 1ya8 h PHE 303 Cb 1.37 -0.32 0.01 0.00 3.61 0.00 0.00 35.95 40.62 1ya8 h PHE 303 CO 0.45 0.55 -0.39 -0.07 -1.61 0.00 0.00 178.31 177.24 1ya8 h LEU 304 N 1.00 -0.93-10.15 1.54 3.38 -1.94 -3.45 115.31 104.75 1ya8 h LEU 304 Ca 0.33 0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.81 1ya8 h LEU 304 Cb 0.03 0.24 0.10 0.00 0.09 0.00 0.00 40.66 41.13 1ya8 h LEU 304 CO -0.12 -0.63 0.40 -0.44 0.09 0.00 0.00 178.44 177.74 1ya8 s SER 305 N -4.26 5.13 -0.25 -0.43 0.01 -1.23 -4.86 113.70 107.81 1ya8 s SER 305 Ca -0.18 2.15 -0.14 0.00 1.31 0.00 0.00 55.95 59.09 1ya8 s SER 305 Cb 0.02 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1ya8 s SER 305 CO 0.58 -1.62 0.32 -0.22 0.41 0.00 0.00 173.24 172.70 1ya8 s LEU 306 N -4.54 4.07 -0.01 2.44 2.96 -1.25 -5.01 118.68 117.34 1ya8 s LEU 306 Ca 0.71 0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 54.57 1ya8 s LEU 306 Cb -0.24 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 1ya8 s LEU 306 CO 0.37 -0.11 1.34 -0.62 -1.32 0.00 0.00 176.35 176.01 1ya8 s ASP 307 N 1.47 6.91 0.12 3.68 3.68 -1.26 -4.94 116.67 126.34 1ya8 s ASP 307 Ca 0.13 2.04 0.13 0.00 2.13 0.00 0.00 52.55 56.98 1ya8 s ASP 307 Cb -0.15 -2.56 -0.11 0.00 -1.45 0.00 0.00 42.92 38.64 1ya8 s ASP 307 CO 0.09 -0.67 1.11 -0.07 0.13 0.00 0.00 175.17 175.76 1ya8 h LEU 308 N 8.17 0.00-10.36 -1.34 3.38 -1.97 -3.48 115.31 109.71 1ya8 h LEU 308 Ca -0.37 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.01 1ya8 h LEU 308 Cb 1.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1ya8 h LEU 308 CO 0.89 0.75 -0.30 0.00 0.09 0.00 0.00 178.44 179.87 1ya8 s GLN 309 N -2.82 2.25 0.07 1.13 -2.07 -1.26 -5.03 119.66 111.93 1ya8 s GLN 309 Ca -0.00 -2.04 0.00 0.00 -1.82 0.00 0.00 55.36 51.50 1ya8 s GLN 309 Cb 0.09 -2.08 0.00 0.00 -1.09 0.00 0.00 33.01 29.92 1ya8 s GLN 309 CO 0.80 -0.64 0.00 0.41 -1.32 0.00 0.00 175.29 174.54 1ya8 n GLY 310 N -1.78 -1.75 3.69 2.60 0.00 -1.26 -4.77 105.19 101.93 1ya8 n GLY 310 Ca -0.02 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1ya8 n GLY 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya8 s ASP 311 N -4.25 6.64 0.08 1.61 -1.08 -1.26 -4.95 116.67 113.46 1ya8 s ASP 311 Ca 0.00 2.44 -0.23 0.00 -0.52 0.00 0.00 52.55 54.24 1ya8 s ASP 311 Cb 0.00 -2.56 -0.09 0.00 -1.46 0.00 0.00 42.92 38.81 1ya8 s ASP 311 CO 0.00 -0.86 1.37 -0.65 0.52 0.00 0.00 175.17 175.55 1ya8 h PRO 312 N 8.18 -0.40 -0.45 4.34 0.11 -1.88 -2.74 132.00 139.15 1ya8 h PRO 312 Ca -0.42 0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.85 1ya8 h PRO 312 Cb 1.20 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1ya8 h PRO 312 CO 0.92 -0.27 0.51 0.00 -0.21 0.00 0.00 178.00 178.95 1ya8 h ARG 313 N -0.42 0.00 0.09 1.05 3.08 -1.92 0.25 114.38 116.51 1ya8 h ARG 313 Ca 0.02 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.83 1ya8 h ARG 313 Cb 0.47 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.55 1ya8 h ARG 313 CO -0.27 0.00 -0.97 0.93 -1.07 0.00 0.00 179.97 178.59 1ya8 h GLU 314 N 0.00 0.49 -1.92 0.04 5.08 -1.89 -3.47 114.58 112.91 1ya8 h GLU 314 Ca 0.21 -0.65 -0.24 0.00 -1.00 0.00 0.00 59.36 57.68 1ya8 h GLU 314 Cb 1.23 0.22 0.02 0.00 0.50 0.00 0.00 28.75 30.72 1ya8 h GLU 314 CO -0.00 1.27 -0.03 0.43 -1.00 0.00 0.00 179.01 179.69 1ya8 n SER 315 N -3.99 -0.10 -4.64 1.42 7.64 0.07 -4.60 113.62 109.42 1ya8 n SER 315 Ca -0.13 0.37 -0.53 0.00 1.01 0.00 0.00 58.87 59.59 1ya8 n SER 315 Cb 0.86 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.70 1ya8 n SER 315 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ya8 n GLN 316 N 0.44 1.24 0.00 1.43 -0.06 -1.26 -4.99 117.38 114.18 1ya8 n GLN 316 Ca 0.06 0.45 0.00 0.00 -2.00 0.00 0.00 57.00 55.51 1ya8 n GLN 316 Cb 0.04 -2.12 0.00 0.00 -4.06 0.00 0.00 30.24 24.10 1ya8 n GLN 316 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1ya8 n PRO 317 N 3.65 -0.02 -3.51 3.69 -0.02 -1.26 -5.00 135.00 132.53 1ya8 n PRO 317 Ca 0.21 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1ya8 n PRO 317 Cb 0.18 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.62 1ya8 n PRO 317 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ya8 s LEU 318 N 0.00 -0.33 0.32 2.45 1.02 -1.26 -4.85 118.68 116.03 1ya8 s LEU 318 Ca 0.00 0.14 0.07 0.00 0.02 0.00 0.00 54.13 54.36 1ya8 s LEU 318 Cb 0.00 2.36 -0.02 0.00 0.02 0.00 0.00 46.19 48.55 1ya8 s LEU 318 CO 0.00 -0.82 0.35 -1.48 0.02 0.00 0.00 176.35 174.42 1ya8 s LEU 319 N -2.25 3.80 0.00 1.79 2.34 -1.26 -4.94 118.68 118.16 1ya8 s LEU 319 Ca -0.03 -0.32 0.00 0.00 0.06 0.00 0.00 54.13 53.84 1ya8 s LEU 319 Cb -0.00 -2.46 0.00 0.00 -0.56 0.00 0.00 46.19 43.17 1ya8 s LEU 319 CO -0.06 -0.32 0.00 0.61 -1.06 0.00 0.00 176.35 175.52 1ya8 n GLY 320 N -1.45 1.24 3.74 -3.48 0.00 -1.26 -5.00 105.19 98.99 1ya8 n GLY 320 Ca -0.02 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1ya8 n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ya8 n THR 321 N 0.00 1.09 -4.28 2.61 -1.04 0.43 -4.72 114.28 108.38 1ya8 n THR 321 Ca 0.00 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.05 61.58 1ya8 n THR 321 Cb 0.00 -1.90 -0.10 0.00 -1.82 0.00 0.00 70.33 66.51 1ya8 n THR 321 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ya8 s VAL 322 N -0.10 1.12 -1.09 12.58 -7.23 -1.26 -1.23 120.40 123.19 1ya8 s VAL 322 Ca 0.64 -2.05 -0.16 0.00 -1.81 0.00 0.00 61.98 58.59 1ya8 s VAL 322 Cb -0.51 -2.03 0.15 0.00 0.56 0.00 0.00 36.38 34.55 1ya8 s VAL 322 CO 0.50 -0.60 1.32 -0.63 -0.31 0.00 0.00 175.10 175.38 1ya8 s ILE 323 N -3.36 4.86 -0.87 -0.62 -1.09 -1.26 -4.66 121.20 114.21 1ya8 s ILE 323 Ca 0.21 -2.16 0.27 0.00 -2.23 0.00 0.00 60.65 56.75 1ya8 s ILE 323 Cb 0.04 -4.87 0.25 0.00 -1.58 0.00 0.00 42.46 36.30 1ya8 s ILE 323 CO 0.03 -1.59 1.83 -0.90 -1.23 0.00 0.00 174.94 173.09 1ya8 n ASP 324 N 6.14 0.40 -0.00 3.58 3.85 -1.22 -4.92 116.55 124.39 1ya8 n ASP 324 Ca 0.32 0.51 -0.00 0.00 -0.71 0.00 0.00 54.79 54.91 1ya8 n ASP 324 Cb 0.46 -0.60 -0.00 0.00 -1.35 0.00 0.00 41.12 39.62 1ya8 n ASP 324 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ya8 n GLY 325 N 1.41 0.46 0.82 6.12 0.00 0.08 -4.81 105.19 109.26 1ya8 n GLY 325 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1ya8 n GLY 325 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ya8 n MET 326 N -2.99 0.00 -0.11 1.61 2.81 -1.26 -4.86 117.12 112.32 1ya8 n MET 326 Ca -0.00 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.69 1ya8 n MET 326 Cb 0.00 -0.44 -0.12 0.00 -0.71 0.00 0.00 33.22 31.95 1ya8 n MET 326 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1ya8 n LEU 327 N -2.30 2.83 -4.03 4.03 7.94 -1.26 -4.65 117.00 119.55 1ya8 n LEU 327 Ca 0.00 -0.04 -0.26 0.00 -1.11 0.00 0.00 56.01 54.60 1ya8 n LEU 327 Cb 0.20 -0.94 -0.17 0.00 0.53 0.00 0.00 43.42 43.04 1ya8 n LEU 327 CO 0.00 0.89 -0.48 -0.76 -1.11 0.00 0.00 177.39 175.93 1ya8 s LEU 328 N -6.71 1.63 0.00 -1.96 1.43 -1.26 -4.29 118.68 107.53 1ya8 s LEU 328 Ca -0.33 -0.35 0.25 0.00 -1.03 0.00 0.00 54.13 52.66 1ya8 s LEU 328 Cb 0.09 -0.94 0.44 0.00 0.03 0.00 0.00 46.19 45.81 1ya8 s LEU 328 CO 0.62 0.02 1.37 0.18 0.23 0.00 0.00 176.35 178.76 1ya8 n LEU 329 N 4.06 0.77 -3.88 1.79 4.77 -1.26 -0.74 117.00 122.51 1ya8 n LEU 329 Ca -0.20 -0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 55.59 1ya8 n LEU 329 Cb 0.51 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1ya8 n LEU 329 CO 0.24 0.17 0.87 -1.59 -1.33 0.00 0.00 177.39 175.75 1ya8 s LYS 330 N -2.86 1.09 0.64 3.23 -2.85 -1.26 -4.80 119.74 112.94 1ya8 s LYS 330 Ca 0.14 -0.69 -0.17 0.00 -1.00 0.00 0.00 55.97 54.24 1ya8 s LYS 330 Cb 0.18 0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 36.25 1ya8 s LYS 330 CO 0.67 -0.51 1.22 0.95 0.10 0.00 0.00 175.35 177.78 1ya8 s THR 331 N -2.25 2.48 0.33 3.79 -4.23 -1.26 -4.73 115.64 109.76 1ya8 s THR 331 Ca 0.22 0.28 0.03 0.00 -1.18 0.00 0.00 61.69 61.04 1ya8 s THR 331 Cb -0.02 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 71.09 1ya8 s THR 331 CO 0.03 -0.08 1.93 -0.65 -0.54 0.00 0.00 174.62 175.31 1ya8 h PRO 332 N 0.49 0.87 -0.25 3.99 0.11 -1.99 0.27 132.00 135.50 1ya8 h PRO 332 Ca -0.50 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.63 1ya8 h PRO 332 Cb 1.30 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1ya8 h PRO 332 CO 0.53 0.58 0.21 0.93 -0.21 0.00 0.00 178.00 180.04 1ya8 h GLU 333 N 0.90 0.00 0.07 1.05 3.07 -1.93 -1.69 114.58 116.05 1ya8 h GLU 333 Ca 0.35 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.88 1ya8 h GLU 333 Cb 0.23 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 1ya8 h GLU 333 CO -0.13 0.00 -1.87 0.39 -1.40 0.00 0.00 179.01 176.00 1ya8 n GLU 334 N -4.21 0.69 0.15 2.33 1.02 0.72 -4.17 120.64 117.16 1ya8 n GLU 334 Ca 0.03 0.34 0.03 0.00 -0.02 0.00 0.00 57.16 57.54 1ya8 n GLU 334 Cb 0.35 -1.69 0.41 0.00 -0.02 0.00 0.00 31.44 30.49 1ya8 n GLU 334 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ya8 h LEU 335 N -0.30 0.16 -0.04 -4.62 3.38 -0.57 -3.18 115.31 110.14 1ya8 h LEU 335 Ca -0.44 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1ya8 h LEU 335 Cb 1.79 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1ya8 h LEU 335 CO -0.04 0.35 -0.08 1.56 0.09 0.00 0.00 178.44 180.31 1ya8 h GLN 336 N 0.16 0.12 -2.44 1.13 4.20 -1.53 -3.20 115.11 113.55 1ya8 h GLN 336 Ca 0.03 -0.08 -0.27 0.00 0.06 0.00 0.00 58.65 58.39 1ya8 h GLN 336 Cb 0.40 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1ya8 h GLN 336 CO 0.03 0.67 0.76 0.00 -0.67 0.00 0.00 178.83 179.62 1ya8 n ALA 337 N -2.42 5.77 -2.00 3.87 0.00 -1.20 -4.62 120.51 119.91 1ya8 n ALA 337 Ca -0.08 -1.92 0.00 0.00 0.00 0.00 0.00 53.44 51.44 1ya8 n ALA 337 Cb 0.34 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1ya8 n ALA 337 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ya8 n GLU 338 N 2.92 0.00 -2.01 0.00 2.13 -1.21 -5.00 120.64 117.48 1ya8 n GLU 338 Ca 0.44 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.86 1ya8 n GLU 338 Cb 0.61 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.31 1ya8 n GLU 338 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ya8 s ARG 339 N 1.00 4.00 0.00 5.31 1.81 -1.24 -4.91 118.95 124.92 1ya8 s ARG 339 Ca 0.00 2.24 0.00 0.00 -1.72 0.00 0.00 55.73 56.25 1ya8 s ARG 339 Cb 0.00 -2.81 0.00 0.00 -0.45 0.00 0.00 34.95 31.69 1ya8 s ARG 339 CO 0.00 -0.50 0.79 0.09 -0.68 0.00 0.00 175.30 175.01 1ya8 n ASN 340 N 0.21 2.28 -3.04 0.23 3.02 -1.26 -4.93 115.26 111.77 1ya8 n ASN 340 Ca 0.03 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 1ya8 n ASN 340 Cb 0.43 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1ya8 n ASN 340 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1ya8 n PHE 341 N 0.92 -1.11 -3.32 3.10 -0.00 -1.26 -4.93 117.46 110.85 1ya8 n PHE 341 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.45 56.98 1ya8 n PHE 341 Cb 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.77 1ya8 n PHE 341 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1ya8 s HIS 342 N -0.50 3.52 0.79 2.97 5.65 -1.26 -5.07 115.29 121.40 1ya8 s HIS 342 Ca 0.00 -1.66 -0.12 0.00 0.25 0.00 0.00 55.06 53.53 1ya8 s HIS 342 Cb 0.00 -3.81 0.07 0.00 -1.18 0.00 0.00 32.58 27.66 1ya8 s HIS 342 CO 0.00 -1.00 1.14 0.95 -0.65 0.00 0.00 174.74 175.17 1ya8 s THR 343 N 0.84 2.59 0.05 0.89 -4.23 -1.26 -4.98 115.64 109.55 1ya8 s THR 343 Ca 0.11 0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.63 1ya8 s THR 343 Cb -0.20 -3.11 0.04 0.00 1.34 0.00 0.00 72.50 70.57 1ya8 s THR 343 CO -0.03 -0.25 0.43 0.68 -0.54 0.00 0.00 174.62 174.90 1ya8 s VAL 344 N -3.41 0.05 0.24 2.29 -7.23 -1.26 -5.07 120.40 106.01 1ya8 s VAL 344 Ca 0.61 -0.43 -0.31 0.00 -1.81 0.00 0.00 61.98 60.04 1ya8 s VAL 344 Cb -0.12 -0.97 -0.14 0.00 0.56 0.00 0.00 36.38 35.71 1ya8 s VAL 344 CO 0.51 -0.24 1.32 -2.65 -0.31 0.00 0.00 175.10 173.74 1ya8 n PRO 345 N 0.44 1.81 -4.44 4.82 -0.02 -1.26 -4.67 135.00 131.68 1ya8 n PRO 345 Ca -0.18 0.64 -0.23 0.00 -2.02 0.00 0.00 63.50 61.71 1ya8 n PRO 345 Cb 0.60 -2.24 -0.17 0.00 -0.02 0.00 0.00 33.50 31.67 1ya8 n PRO 345 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ya8 s TYR 346 N -0.23 1.27 -0.21 6.00 6.04 -1.08 -2.17 117.35 126.98 1ya8 s TYR 346 Ca 0.68 -0.46 -0.03 0.00 0.04 0.00 0.00 57.07 57.30 1ya8 s TYR 346 Cb -0.69 -0.97 -0.01 0.00 -1.04 0.00 0.00 41.96 39.26 1ya8 s TYR 346 CO 0.52 -0.26 -0.06 1.41 -1.54 0.00 0.00 175.55 175.61 1ya8 s MET 347 N 0.77 3.35 -0.10 4.97 -2.45 0.55 -1.48 119.30 124.91 1ya8 s MET 347 Ca -0.13 -0.64 0.03 0.00 -1.25 0.00 0.00 55.69 53.70 1ya8 s MET 347 Cb -0.15 -2.95 0.00 0.00 1.25 0.00 0.00 34.83 32.98 1ya8 s MET 347 CO 0.02 -0.17 -0.22 0.08 1.05 0.00 0.00 175.02 175.78 1ya8 s VAL 348 N 1.39 1.91 0.09 10.11 1.01 -0.14 0.41 120.40 135.18 1ya8 s VAL 348 Ca 0.05 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1ya8 s VAL 348 Cb -0.14 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1ya8 s VAL 348 CO -0.04 0.53 0.14 -0.83 0.00 0.00 0.00 175.10 174.89 1ya8 s GLY 349 N 0.52 0.29 0.24 4.51 0.00 -0.58 -2.96 107.32 109.34 1ya8 s GLY 349 Ca -0.15 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.73 1ya8 s GLY 349 CO 0.05 -0.98 0.05 -0.26 0.00 0.00 0.00 173.10 171.97 1ya8 s ILE 350 N -3.90 0.72 0.45 0.90 -4.36 -1.07 0.19 121.20 114.13 1ya8 s ILE 350 Ca 0.08 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.55 1ya8 s ILE 350 Cb 0.06 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.32 1ya8 s ILE 350 CO -0.09 -0.18 0.59 0.20 0.24 0.00 0.00 174.94 175.71 1ya8 s ASN 351 N -3.29 5.47 0.07 4.36 0.02 -1.26 -1.63 114.94 118.68 1ya8 s ASN 351 Ca 0.33 -0.55 -0.19 0.00 -1.02 0.00 0.00 52.86 51.42 1ya8 s ASN 351 Cb 0.07 -0.44 -0.10 0.00 0.02 0.00 0.00 41.25 40.80 1ya8 s ASN 351 CO 0.10 -0.87 1.49 0.50 0.02 0.00 0.00 177.10 178.34 1ya8 h LYS 352 N 0.59 0.40 -2.93 -0.60 1.63 -0.91 -3.38 116.57 111.37 1ya8 h LYS 352 Ca -0.38 -0.14 -0.61 0.00 -0.85 0.00 0.00 60.65 58.67 1ya8 h LYS 352 Cb 1.28 -0.03 -0.41 0.00 -0.60 0.00 0.00 32.23 32.47 1ya8 h LYS 352 CO 0.46 0.61 -0.69 -0.65 -3.45 0.00 0.00 179.45 175.73 1ya8 s GLN 353 N -4.87 1.91 0.34 1.90 -0.21 0.58 -4.97 119.66 114.33 1ya8 s GLN 353 Ca -0.14 -2.83 0.03 0.00 0.02 0.00 0.00 55.36 52.44 1ya8 s GLN 353 Cb 0.07 -2.80 0.61 0.00 1.00 0.00 0.00 33.01 31.89 1ya8 s GLN 353 CO 0.74 -1.28 1.94 0.93 -2.12 0.00 0.00 175.29 175.50 1ya8 h GLU 354 N 5.71 0.71 -0.41 2.91 4.39 -1.75 -2.67 114.58 123.47 1ya8 h GLU 354 Ca 0.14 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1ya8 h GLU 354 Cb 0.82 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.27 1ya8 h GLU 354 CO 0.60 0.56 0.05 0.34 -1.16 0.00 0.00 179.01 179.41 1ya8 n PHE 355 N -4.37 1.37 -0.04 4.33 -0.00 -1.26 -3.74 117.46 113.75 1ya8 n PHE 355 Ca 0.04 -1.18 -0.01 0.00 -0.00 0.00 0.00 57.45 56.30 1ya8 n PHE 355 Cb 0.14 -0.46 0.27 0.00 -0.00 0.00 0.00 39.48 39.42 1ya8 n PHE 355 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1ya8 h GLY 356 N 1.74 0.68 0.00 7.13 0.00 -1.80 -3.43 103.07 107.38 1ya8 h GLY 356 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1ya8 h GLY 356 CO 0.41 0.36 0.00 1.87 0.00 0.00 0.00 176.54 179.17 1ya8 n TRP 357 N -4.29 -3.77 -0.32 5.60 -0.00 -1.26 -4.98 117.44 108.41 1ya8 n TRP 357 Ca 0.02 0.98 -0.01 0.00 -0.00 0.00 0.00 57.50 58.50 1ya8 n TRP 357 Cb 0.22 2.62 0.05 0.00 -0.00 0.00 0.00 31.31 34.20 1ya8 n TRP 357 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1ya8 h LEU 358 N 0.00 -1.23 0.66 5.87 5.85 -1.89 0.22 115.31 124.78 1ya8 h LEU 358 Ca 0.00 0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1ya8 h LEU 358 Cb 0.00 0.67 0.01 0.00 0.37 0.00 0.00 40.66 41.70 1ya8 h LEU 358 CO 0.00 -0.29 -0.32 0.40 -0.34 0.00 0.00 178.44 177.89 1ya8 h ILE 359 N -0.04 0.00 -1.00 4.05 2.04 -1.90 -2.35 117.51 118.31 1ya8 h ILE 359 Ca 0.33 -0.25 0.22 0.00 1.00 0.00 0.00 64.86 66.17 1ya8 h ILE 359 Cb 0.60 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.58 1ya8 h ILE 359 CO -0.89 0.00 0.63 -0.65 0.00 0.00 0.00 178.15 177.23 1ya8 h PRO 360 N -1.13 0.54 -0.84 2.37 0.11 -1.75 0.11 132.00 131.40 1ya8 h PRO 360 Ca -0.09 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 1ya8 h PRO 360 Cb 0.68 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.63 1ya8 h PRO 360 CO 0.15 0.35 0.43 1.98 -0.21 0.00 0.00 178.00 180.71 1ya8 h MET 361 N 0.55 1.19 0.00 1.05 1.85 -0.54 -0.96 114.93 118.08 1ya8 h MET 361 Ca 0.57 -0.16 -0.10 0.00 -0.61 0.00 0.00 59.70 59.40 1ya8 h MET 361 Cb 1.19 -0.23 -0.01 0.00 0.43 0.00 0.00 31.60 32.98 1ya8 h MET 361 CO -0.32 0.90 -0.49 -0.07 -0.40 0.00 0.00 176.91 176.52 1ya8 h LEU 363 N 1.19 0.00 -0.92 3.39 3.38 -0.27 -3.18 115.31 118.89 1ya8 h LEU 363 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ya8 h LEU 363 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ya8 h LEU 363 CO -0.04 0.49 -0.10 0.23 0.09 0.00 0.00 178.44 179.10 1ya8 n MET 364 N -3.22 1.46 -3.51 1.13 2.81 -0.35 -4.82 117.12 110.62 1ya8 n MET 364 Ca 0.02 -0.92 -0.19 0.00 -1.81 0.00 0.00 57.70 54.80 1ya8 n MET 364 Cb 0.73 -1.48 0.08 0.00 -0.71 0.00 0.00 33.22 31.83 1ya8 n MET 364 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ya8 n SER 365 N 0.04 -2.29 -4.74 7.83 7.64 -0.72 -3.85 113.62 117.53 1ya8 n SER 365 Ca 0.16 -0.66 -0.41 0.00 1.01 0.00 0.00 58.87 58.97 1ya8 n SER 365 Cb 0.38 -4.87 -0.02 0.00 -1.01 0.00 0.00 64.21 58.69 1ya8 n SER 365 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1ya8 s TYR 366 N -3.42 3.09 -0.96 1.43 5.04 -0.45 -4.89 117.35 117.19 1ya8 s TYR 366 Ca 0.07 1.12 -0.24 0.00 -2.44 0.00 0.00 57.07 55.57 1ya8 s TYR 366 Cb -0.03 -3.75 -0.05 0.00 0.35 0.00 0.00 41.96 38.48 1ya8 s TYR 366 CO 0.75 -2.37 1.93 -2.14 -1.34 0.00 0.00 175.55 172.38 1ya8 s PRO 367 N -0.43 2.58 -0.30 4.97 0.02 -1.26 -4.67 135.00 135.91 1ya8 s PRO 367 Ca 0.58 -0.48 0.19 0.00 0.02 0.00 0.00 61.00 61.30 1ya8 s PRO 367 Cb -0.40 -5.11 0.47 0.00 0.02 0.00 0.00 34.50 29.48 1ya8 s PRO 367 CO 0.43 -3.46 1.15 1.28 -0.33 0.00 0.00 177.00 176.07 1ya8 n LEU 368 N 13.89 0.83 0.04 -5.54 4.77 -1.26 -4.90 117.00 124.84 1ya8 n LEU 368 Ca 0.41 -3.28 0.11 0.00 -0.03 0.00 0.00 56.01 53.22 1ya8 n LEU 368 Cb 0.47 0.38 0.45 0.00 -2.33 0.00 0.00 43.42 42.38 1ya8 n LEU 368 CO 0.62 1.34 0.84 -1.54 -1.33 0.00 0.00 177.39 177.32 1ya8 n SER 369 N -0.58 0.22 0.09 -1.43 3.41 -1.26 -3.37 113.62 110.71 1ya8 n SER 369 Ca 0.03 0.54 -0.18 0.00 -0.26 0.00 0.00 58.87 59.00 1ya8 n SER 369 Cb 0.82 -0.59 -0.14 0.00 -0.26 0.00 0.00 64.21 64.03 1ya8 n SER 369 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ya8 h GLU 370 N 0.00 0.31 0.00 4.33 4.39 -1.99 -3.47 114.58 118.15 1ya8 h GLU 370 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1ya8 h GLU 370 Cb 0.41 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1ya8 h GLU 370 CO 0.00 1.22 0.00 0.41 -1.16 0.00 0.00 179.01 179.48 1ya8 n GLY 371 N 1.65 0.68 3.25 -3.84 0.00 -1.22 -5.01 105.19 100.70 1ya8 n GLY 371 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1ya8 n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ya8 s GLN 372 N -0.24 0.72 0.15 1.61 -2.07 -1.26 -4.58 119.66 113.99 1ya8 s GLN 372 Ca 0.00 -0.27 -0.05 0.00 -1.82 0.00 0.00 55.36 53.23 1ya8 s GLN 372 Cb 0.00 0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 32.21 1ya8 s GLN 372 CO 0.00 -0.21 0.17 -1.17 -1.32 0.00 0.00 175.29 172.76 1ya8 s LEU 373 N -1.52 1.33 0.02 2.60 2.96 -0.27 -4.92 118.68 118.88 1ya8 s LEU 373 Ca -0.11 -1.08 0.00 0.00 -0.22 0.00 0.00 54.13 52.72 1ya8 s LEU 373 Cb -0.04 0.73 -0.02 0.00 0.50 0.00 0.00 46.19 47.36 1ya8 s LEU 373 CO 0.02 -0.82 -0.03 1.51 -1.32 0.00 0.00 176.35 175.71 1ya8 s ASP 374 N -3.02 0.25 0.18 3.68 -4.77 -1.26 -4.54 116.67 107.19 1ya8 s ASP 374 Ca 0.23 -0.43 0.12 0.00 -3.30 0.00 0.00 52.55 49.16 1ya8 s ASP 374 Cb 0.05 0.08 0.64 0.00 -1.09 0.00 0.00 42.92 42.61 1ya8 s ASP 374 CO 0.02 -0.25 0.71 0.00 0.70 0.00 0.00 175.17 176.36 1ya8 n GLN 375 N 1.81 -0.02 0.01 2.11 1.13 -1.26 -0.48 117.38 120.67 1ya8 n GLN 375 Ca -0.22 0.60 -0.02 0.00 -1.94 0.00 0.00 57.00 55.42 1ya8 n GLN 375 Cb 0.56 -1.13 -0.01 0.00 0.11 0.00 0.00 30.24 29.77 1ya8 n GLN 375 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1ya8 h LYS 376 N 0.00 -0.11 -0.91 -1.09 1.57 -2.00 -3.14 116.57 110.89 1ya8 h LYS 376 Ca 0.39 0.01 0.24 0.00 -1.87 0.00 0.00 60.65 59.42 1ya8 h LYS 376 Cb 1.14 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.42 1ya8 h LYS 376 CO -0.29 -0.08 0.63 1.15 -0.57 0.00 0.00 179.45 180.29 1ya8 h THR 377 N -0.88 0.60 0.51 -0.16 2.02 -1.23 -0.72 112.91 113.05 1ya8 h THR 377 Ca -0.01 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1ya8 h THR 377 Cb 0.09 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1ya8 h THR 377 CO 0.02 0.04 -0.39 0.00 0.37 0.00 0.00 175.52 175.56 1ya8 h ALA 378 N 1.58 -1.13 -0.27 6.16 0.00 -0.88 0.14 119.26 124.87 1ya8 h ALA 378 Ca 0.46 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.27 1ya8 h ALA 378 Cb 1.47 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1ya8 h ALA 378 CO -0.10 -1.13 0.26 0.52 0.00 0.00 0.00 179.25 178.80 1ya8 h MET 379 N -0.87 0.00 0.12 0.00 2.07 -1.12 0.39 114.93 115.52 1ya8 h MET 379 Ca -0.07 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 1ya8 h MET 379 Cb 0.72 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.45 1ya8 h MET 379 CO 0.02 0.00 -0.06 1.03 1.07 0.00 0.00 176.91 178.97 1ya8 h SER 380 N 0.00 -0.13 0.37 1.22 0.87 -0.59 -2.83 113.55 112.46 1ya8 h SER 380 Ca 0.13 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 1ya8 h SER 380 Cb 0.64 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1ya8 h SER 380 CO -0.00 0.38 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.43 1ya8 h LEU 381 N -0.70 -0.42 -2.03 2.23 3.38 0.70 -2.44 115.31 116.03 1ya8 h LEU 381 Ca -0.02 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1ya8 h LEU 381 Cb 0.53 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1ya8 h LEU 381 CO 0.03 -0.26 0.38 0.25 0.09 0.00 0.00 178.44 178.93 1ya8 h LEU 382 N -0.55 0.00 0.14 1.67 5.85 -0.40 0.28 115.31 122.31 1ya8 h LEU 382 Ca -0.05 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.37 1ya8 h LEU 382 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1ya8 h LEU 382 CO 0.08 0.00 -1.42 -0.25 -0.34 0.00 0.00 178.44 176.52 1ya8 h TRP 383 N 0.00 0.55 0.00 1.25 -0.00 -1.21 -3.24 115.95 113.29 1ya8 h TRP 383 Ca 0.16 -0.40 -0.01 0.00 -0.00 0.00 0.00 58.89 58.64 1ya8 h TRP 383 Cb 0.93 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.16 30.07 1ya8 h TRP 383 CO 0.00 1.38 -0.03 0.87 -0.00 0.00 0.00 178.44 180.65 1ya8 h LYS 384 N 0.08 0.00 -0.04 2.65 1.57 -0.47 -2.89 116.57 117.47 1ya8 h LYS 384 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1ya8 h LYS 384 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1ya8 h LYS 384 CO 0.19 0.03 0.00 0.43 -0.57 0.00 0.00 179.45 179.54 1ya8 n SER 385 N -3.12 0.31 -0.30 0.86 7.64 0.76 -4.34 113.62 115.44 1ya8 n SER 385 Ca 0.03 -1.71 0.02 0.00 1.01 0.00 0.00 58.87 58.21 1ya8 n SER 385 Cb 0.47 -0.03 0.09 0.00 -1.01 0.00 0.00 64.21 63.73 1ya8 n SER 385 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1ya8 h TYR 386 N 0.38 -0.58 0.00 1.43 3.20 -1.60 0.31 116.97 120.10 1ya8 h TYR 386 Ca 0.00 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1ya8 h TYR 386 Cb 0.08 0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1ya8 h TYR 386 CO 0.03 -0.37 0.00 -0.35 -1.64 0.00 0.00 178.16 175.83 1ya8 n PRO 387 N -5.53 0.07 0.00 1.82 -0.04 -1.26 0.53 135.00 130.59 1ya8 n PRO 387 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1ya8 n PRO 387 Cb 0.42 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1ya8 n PRO 387 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ya8 n LEU 388 N -0.60 0.66 -0.06 1.53 4.77 0.10 -4.89 117.00 118.52 1ya8 n LEU 388 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1ya8 n LEU 388 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1ya8 n LEU 388 CO 0.00 0.11 -0.87 1.33 -1.33 0.00 0.00 177.39 176.63 1ya8 n VAL 389 N -1.64 0.73 -3.21 4.08 0.24 -0.73 -4.85 118.33 112.95 1ya8 n VAL 389 Ca 0.00 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.34 61.76 1ya8 n VAL 389 Cb 0.29 -0.80 0.07 0.00 -1.47 0.00 0.00 33.84 31.93 1ya8 n VAL 389 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ya8 s ILE 391 N -3.36 2.76 0.54 0.00 1.01 -1.26 -5.10 121.20 115.80 1ya8 s ILE 391 Ca 0.29 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.96 1ya8 s ILE 391 Cb -0.04 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1ya8 s ILE 391 CO 0.69 0.53 1.26 0.00 0.00 0.00 0.00 174.94 177.43 1ya8 n ALA 392 N 3.53 1.22 0.28 9.38 0.00 -1.26 -4.85 120.51 128.81 1ya8 n ALA 392 Ca -0.18 0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.53 1ya8 n ALA 392 Cb 0.53 -2.29 0.82 0.00 0.00 0.00 0.00 19.45 18.51 1ya8 n ALA 392 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ya8 h LYS 393 N 1.28 0.00 0.00 0.00 3.64 -1.98 -1.38 116.57 118.13 1ya8 h LYS 393 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1ya8 h LYS 393 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1ya8 h LYS 393 CO 0.56 0.07 -0.08 -0.85 -2.27 0.00 0.00 179.45 176.88 1ya8 n GLU 394 N -3.46 0.27 -0.01 1.90 0.00 -1.26 -3.52 120.64 114.56 1ya8 n GLU 394 Ca -0.02 0.20 -0.13 0.00 0.00 0.00 0.00 57.16 57.21 1ya8 n GLU 394 Cb 0.21 -1.79 -0.14 0.00 0.00 0.00 0.00 31.44 29.72 1ya8 n GLU 394 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ya8 n LEU 395 N -2.25 1.52 -0.29 -1.84 4.77 -0.55 -4.55 117.00 113.81 1ya8 n LEU 395 Ca 0.05 0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 56.30 1ya8 n LEU 395 Cb 0.43 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1ya8 n LEU 395 CO 0.31 0.56 0.36 -0.38 -1.33 0.00 0.00 177.39 176.91 1ya8 n ILE 396 N -3.20 -0.46 -0.14 -0.08 2.08 -1.01 -1.27 119.36 115.28 1ya8 n ILE 396 Ca -0.23 1.71 -0.04 0.00 0.56 0.00 0.00 62.75 64.76 1ya8 n ILE 396 Cb 1.05 -2.15 0.03 0.00 -0.75 0.00 0.00 39.64 37.83 1ya8 n ILE 396 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1ya8 h PRO 397 N 0.00 0.05 -0.27 0.38 0.11 -1.80 0.95 132.00 131.42 1ya8 h PRO 397 Ca 0.14 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.26 1ya8 h PRO 397 Cb 0.32 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1ya8 h PRO 397 CO -0.68 0.04 0.15 1.49 -0.21 0.00 0.00 178.00 178.79 1ya8 h GLU 398 N 0.05 0.31 0.44 1.05 4.81 -1.47 0.59 114.58 120.36 1ya8 h GLU 398 Ca 0.22 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1ya8 h GLU 398 Cb 0.33 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1ya8 h GLU 398 CO -0.41 0.20 -0.21 0.00 -0.73 0.00 0.00 179.01 177.86 1ya8 h ALA 399 N 1.12 -0.59 -0.66 2.92 0.00 -0.69 -2.47 119.26 118.89 1ya8 h ALA 399 Ca 0.11 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1ya8 h ALA 399 Cb 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 1ya8 h ALA 399 CO -0.05 -0.69 0.09 1.15 0.00 0.00 0.00 179.25 179.74 1ya8 h THR 400 N -0.86 0.53 -0.24 0.00 2.02 0.98 -1.73 112.91 113.60 1ya8 h THR 400 Ca -0.06 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1ya8 h THR 400 Cb 0.56 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1ya8 h THR 400 CO 0.10 0.04 0.08 -0.08 0.37 0.00 0.00 175.52 176.02 1ya8 h GLU 401 N 0.20 0.18 -0.58 6.66 4.57 -0.87 -0.32 114.58 124.42 1ya8 h GLU 401 Ca 0.35 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.64 1ya8 h GLU 401 Cb 0.58 -0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.02 1ya8 h GLU 401 CO -0.50 0.12 -0.15 -0.22 -1.18 0.00 0.00 179.01 177.08 1ya8 h LYS 402 N 0.18 -0.01 0.00 1.92 1.63 -0.83 0.83 116.57 120.30 1ya8 h LYS 402 Ca 0.11 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1ya8 h LYS 402 Cb 0.08 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1ya8 h LYS 402 CO -0.12 -0.01 -0.14 1.88 -3.45 0.00 0.00 179.45 177.62 1ya8 h TYR 403 N -0.01 0.00 0.00 1.91 -1.99 -1.42 -3.38 116.97 112.07 1ya8 h TYR 403 Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 1ya8 h TYR 403 Cb 0.43 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.16 1ya8 h TYR 403 CO -0.48 0.12 0.00 1.28 -0.00 0.00 0.00 178.16 179.08 1ya8 n LEU 404 N -4.72 0.00 -0.02 3.88 4.77 -0.14 -3.45 117.00 117.32 1ya8 n LEU 404 Ca -0.03 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1ya8 n LEU 404 Cb 0.11 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1ya8 n LEU 404 CO 0.05 -0.12 0.44 0.61 -1.33 0.00 0.00 177.39 177.04 1ya8 n GLY 405 N 0.70 -0.82 0.00 -0.72 0.00 0.29 -4.14 105.19 100.50 1ya8 n GLY 405 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ya8 n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya8 n GLY 406 N 0.38 -1.48 0.61 -0.02 0.00 -1.22 -4.98 105.19 98.47 1ya8 n GLY 406 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1ya8 n GLY 406 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ya8 n THR 407 N -1.51 0.00 0.66 2.61 -2.24 -1.26 -5.06 114.28 107.48 1ya8 n THR 407 Ca 0.00 -0.41 0.08 0.00 -2.27 0.00 0.00 64.05 61.45 1ya8 n THR 407 Cb 0.00 0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1ya8 n THR 407 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ya8 n ASP 408 N -1.21 1.92 -4.70 3.42 8.00 -1.26 -4.95 116.55 117.77 1ya8 n ASP 408 Ca -0.03 -1.46 -0.44 0.00 0.71 0.00 0.00 54.79 53.57 1ya8 n ASP 408 Cb 0.11 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 1ya8 n ASP 408 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ya8 n ASP 409 N 0.36 3.61 0.07 -2.24 -0.08 -1.26 -4.85 116.55 112.15 1ya8 n ASP 409 Ca 0.08 1.08 0.11 0.00 -1.51 0.00 0.00 54.79 54.55 1ya8 n ASP 409 Cb 0.35 -1.52 0.45 0.00 2.34 0.00 0.00 41.12 42.75 1ya8 n ASP 409 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1ya8 n THR 410 N 3.55 0.65 -0.08 5.18 -2.24 -1.26 -2.56 114.28 117.52 1ya8 n THR 410 Ca 0.16 0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1ya8 n THR 410 Cb 0.33 -0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 67.67 1ya8 n THR 410 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ya8 n VAL 411 N -1.94 1.45 0.08 2.28 0.31 -1.26 -1.11 118.33 118.13 1ya8 n VAL 411 Ca 0.04 0.15 0.20 0.00 -0.01 0.00 0.00 64.34 64.73 1ya8 n VAL 411 Cb 0.29 -2.31 0.65 0.00 -0.91 0.00 0.00 33.84 31.56 1ya8 n VAL 411 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1ya8 h LYS 412 N -1.00 0.00 0.28 5.55 1.57 -1.93 -0.01 116.57 121.03 1ya8 h LYS 412 Ca -0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1ya8 h LYS 412 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1ya8 h LYS 412 CO -0.05 0.00 -0.14 0.87 -0.57 0.00 0.00 179.45 179.56 1ya8 h LYS 413 N 0.00 -0.37 -0.82 3.15 1.57 -1.64 -1.78 116.57 116.68 1ya8 h LYS 413 Ca 0.22 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.16 1ya8 h LYS 413 Cb 1.47 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 33.72 1ya8 h LYS 413 CO -0.00 -0.24 -0.29 1.17 -0.57 0.00 0.00 179.45 179.52 1ya8 n LYS 414 N -4.11 -0.16 0.23 3.15 4.81 -0.06 -0.15 118.16 121.87 1ya8 n LYS 414 Ca -0.05 1.27 -0.15 0.00 -0.87 0.00 0.00 58.31 58.51 1ya8 n LYS 414 Cb 0.15 -1.89 -0.08 0.00 0.02 0.00 0.00 35.03 33.23 1ya8 n LYS 414 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1ya8 h ASP 415 N 0.00 -0.48 -0.32 3.14 3.32 -1.52 -2.68 116.42 117.88 1ya8 h ASP 415 Ca 0.32 -0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.40 1ya8 h ASP 415 Cb 0.53 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1ya8 h ASP 415 CO -0.83 -0.22 0.26 -0.07 -1.72 0.00 0.00 179.24 176.66 1ya8 h LEU 416 N -0.73 0.00 -1.01 1.55 3.38 -0.10 0.39 115.31 118.79 1ya8 h LEU 416 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1ya8 h LEU 416 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1ya8 h LEU 416 CO 0.10 0.00 -0.16 0.15 0.09 0.00 0.00 178.44 178.62 1ya8 h PHE 417 N 0.00 0.57 -0.43 1.13 3.57 -0.24 -1.21 116.94 120.33 1ya8 h PHE 417 Ca 0.15 -0.10 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 1ya8 h PHE 417 Cb 0.67 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1ya8 h PHE 417 CO 0.00 0.66 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.38 1ya8 h LEU 418 N 0.48 1.01 -1.36 0.59 3.38 0.08 -2.23 115.31 117.26 1ya8 h LEU 418 Ca 0.08 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 1ya8 h LEU 418 Cb 0.56 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1ya8 h LEU 418 CO 0.04 1.22 -0.06 0.44 0.09 0.00 0.00 178.44 180.16 1ya8 h ASP 419 N 0.80 0.33 0.29 -0.43 3.32 -1.02 0.20 116.42 119.90 1ya8 h ASP 419 Ca 0.09 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1ya8 h ASP 419 Cb 0.88 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1ya8 h ASP 419 CO 0.08 0.44 -0.23 0.25 -1.72 0.00 0.00 179.24 178.06 1ya8 h LEU 420 N 0.34 -0.62 -0.17 1.55 7.12 -0.71 -0.24 115.31 122.58 1ya8 h LEU 420 Ca 0.07 0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.18 1ya8 h LEU 420 Cb 0.33 0.19 -0.07 0.00 -0.53 0.00 0.00 40.66 40.59 1ya8 h LEU 420 CO 0.02 -0.32 -0.36 0.40 -0.13 0.00 0.00 178.44 178.04 1ya8 h ILE 421 N -0.50 0.23 -0.71 4.05 2.04 -1.11 -1.85 117.51 119.66 1ya8 h ILE 421 Ca -0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.99 1ya8 h ILE 421 Cb 0.42 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1ya8 h ILE 421 CO 0.00 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.64 1ya8 h ALA 422 N 0.36 2.32 -0.22 1.87 0.00 -0.89 -1.52 119.26 121.18 1ya8 h ALA 422 Ca 0.10 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1ya8 h ALA 422 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ya8 h ALA 422 CO -0.40 -0.52 -0.60 -0.44 0.00 0.00 0.00 179.25 177.29 1ya8 h ASP 423 N 0.24 0.85 0.63 0.00 5.19 -0.19 -1.89 116.42 121.25 1ya8 h ASP 423 Ca 0.35 -0.48 -0.14 0.00 -0.62 0.00 0.00 57.03 56.14 1ya8 h ASP 423 Cb 1.02 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 1ya8 h ASP 423 CO -0.08 1.25 -0.66 0.58 -3.12 0.00 0.00 179.24 177.21 1ya8 h VAL 424 N 0.56 1.47 0.00 -1.35 2.07 -0.99 -0.79 116.25 117.22 1ya8 h VAL 424 Ca -0.00 -2.26 -0.13 0.00 0.82 0.00 0.00 66.70 65.13 1ya8 h VAL 424 Cb 1.20 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1ya8 h VAL 424 CO 0.12 0.65 -1.47 0.23 0.02 0.00 0.00 177.57 177.12 1ya8 n MET 425 N -3.76 0.63 0.13 1.57 2.81 -0.76 -4.70 117.12 113.03 1ya8 n MET 425 Ca -0.01 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1ya8 n MET 425 Cb 0.65 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1ya8 n MET 425 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1ya8 n PHE 426 N -2.76 -2.12 0.00 2.03 3.01 -0.73 -4.81 117.46 112.08 1ya8 n PHE 426 Ca -0.09 0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.74 1ya8 n PHE 426 Cb 0.77 0.49 0.00 0.00 -0.01 0.00 0.00 39.48 40.74 1ya8 n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya8 n GLY 427 N 1.85 -3.15 0.05 1.37 0.00 -1.07 -0.54 105.19 103.70 1ya8 n GLY 427 Ca 0.00 0.56 -0.12 0.00 0.00 0.00 0.00 46.02 46.46 1ya8 n GLY 427 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ya8 h VAL 428 N 0.00 1.03 -0.72 1.61 2.07 -1.43 -2.58 116.25 116.22 1ya8 h VAL 428 Ca 0.00 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1ya8 h VAL 428 Cb 0.00 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 1ya8 h VAL 428 CO 0.00 0.02 0.38 -0.65 0.02 0.00 0.00 177.57 177.34 1ya8 h PRO 429 N 0.03 0.65 -0.09 1.57 0.11 -1.75 -1.10 132.00 131.41 1ya8 h PRO 429 Ca 0.01 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1ya8 h PRO 429 Cb 0.02 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1ya8 h PRO 429 CO -0.00 0.43 -0.00 0.77 -0.21 0.00 0.00 178.00 178.98 1ya8 h SER 430 N 0.67 -0.04 -0.37 -2.05 0.02 -0.66 -1.42 113.55 109.69 1ya8 h SER 430 Ca 0.34 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.22 1ya8 h SER 430 Cb 0.31 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1ya8 h SER 430 CO -0.24 -0.01 -0.08 0.58 -1.14 0.00 0.00 176.83 175.94 1ya8 h VAL 431 N 0.03 1.26 -0.01 2.27 2.07 -1.04 -0.75 116.25 120.07 1ya8 h VAL 431 Ca 0.04 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1ya8 h VAL 431 Cb 0.05 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1ya8 h VAL 431 CO -0.07 0.39 0.01 0.40 0.02 0.00 0.00 177.57 178.32 1ya8 h ILE 432 N 0.73 1.03 -0.12 4.57 2.04 -1.03 0.56 117.51 125.28 1ya8 h ILE 432 Ca 0.13 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1ya8 h ILE 432 Cb 0.57 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 1ya8 h ILE 432 CO 0.03 0.02 -0.16 0.58 0.00 0.00 0.00 178.15 178.62 1ya8 h VAL 433 N -0.01 0.57 -0.26 1.67 2.07 -1.04 0.22 116.25 119.47 1ya8 h VAL 433 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1ya8 h VAL 433 Cb 0.03 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 1ya8 h VAL 433 CO -0.00 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.36 1ya8 h ALA 434 N 0.83 -0.09 0.12 1.67 0.00 -0.79 0.17 119.26 121.17 1ya8 h ALA 434 Ca 0.09 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ya8 h ALA 434 Cb 0.34 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1ya8 h ALA 434 CO -0.25 -0.65 -0.20 0.00 0.00 0.00 0.00 179.25 178.15 1ya8 h ARG 435 N -0.23 -0.38 -0.95 0.00 3.08 -0.34 0.33 114.38 115.89 1ya8 h ARG 435 Ca 0.14 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.38 1ya8 h ARG 435 Cb 0.45 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.50 1ya8 h ARG 435 CO -0.39 -0.25 0.60 -0.91 -1.07 0.00 0.00 179.97 177.95 1ya8 h ASN 436 N -0.39 0.70 -0.08 7.04 -0.26 0.17 0.39 115.58 123.15 1ya8 h ASN 436 Ca 0.02 0.06 -0.07 0.00 -0.56 0.00 0.00 56.30 55.75 1ya8 h ASN 436 Cb 0.41 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1ya8 h ASN 436 CO -0.11 0.31 -0.22 -0.74 -1.06 0.00 0.00 177.43 175.62 1ya8 h HIS 437 N 0.71 0.37 -0.05 1.19 2.76 0.08 -1.72 115.15 118.49 1ya8 h HIS 437 Ca 0.50 -0.15 0.04 0.00 -2.20 0.00 0.00 60.37 58.56 1ya8 h HIS 437 Cb 0.82 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.67 1ya8 h HIS 437 CO -0.00 0.83 -0.23 -0.09 -1.30 0.00 0.00 177.93 177.14 1ya8 h ARG 438 N -0.20 -0.33 -0.22 5.26 2.43 0.11 -1.28 114.38 120.16 1ya8 h ARG 438 Ca -0.01 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1ya8 h ARG 438 Cb 0.83 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1ya8 h ARG 438 CO 0.05 -0.22 0.15 -0.44 -1.51 0.00 0.00 179.97 178.00 1ya8 h ASP 439 N -0.34 0.05 0.45 -3.80 3.32 -0.30 0.35 116.42 116.15 1ya8 h ASP 439 Ca 0.08 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1ya8 h ASP 439 Cb 0.45 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1ya8 h ASP 439 CO -0.24 0.04 -0.01 0.00 -1.72 0.00 0.00 179.24 177.30 1ya8 h ALA 440 N 1.89 1.03 0.00 3.45 0.00 -0.27 -3.46 119.26 121.90 1ya8 h ALA 440 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ya8 h ALA 440 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ya8 h ALA 440 CO -0.01 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1ya8 n GLY 441 N -0.60 1.49 3.35 0.00 0.00 0.12 -5.10 105.19 104.46 1ya8 n GLY 441 Ca -0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1ya8 n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 s ALA 442 N -2.00 2.27 0.27 4.61 0.00 -1.19 -5.07 121.76 120.66 1ya8 s ALA 442 Ca 0.00 -1.26 -0.25 0.00 0.00 0.00 0.00 51.96 50.46 1ya8 s ALA 442 Cb 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 23.12 22.46 1ya8 s ALA 442 CO 0.00 0.54 0.34 -2.30 0.00 0.00 0.00 175.76 174.34 1ya8 n PRO 443 N 1.81 0.00 -3.75 0.00 -0.02 -1.26 -4.30 135.00 127.47 1ya8 n PRO 443 Ca -0.17 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.19 1ya8 n PRO 443 Cb 0.52 -0.98 -0.12 0.00 -0.02 0.00 0.00 33.50 32.90 1ya8 n PRO 443 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ya8 s THR 444 N -1.24 -0.02 0.02 3.45 2.01 -1.26 -2.63 115.64 115.98 1ya8 s THR 444 Ca 0.61 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.69 1ya8 s THR 444 Cb -0.80 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 1ya8 s THR 444 CO 0.57 0.02 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.14 1ya8 s TYR 445 N 0.65 0.69 0.14 4.92 2.02 -0.55 -0.25 117.35 124.97 1ya8 s TYR 445 Ca -0.04 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.40 1ya8 s TYR 445 Cb -0.05 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 1ya8 s TYR 445 CO -0.04 -0.03 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.16 1ya8 s MET 446 N -0.88 1.05 0.18 -0.62 -1.94 -1.26 -0.97 119.30 114.86 1ya8 s MET 446 Ca -0.03 -1.43 -0.16 0.00 -1.71 0.00 0.00 55.69 52.36 1ya8 s MET 446 Cb -0.06 -0.63 0.02 0.00 2.01 0.00 0.00 34.83 36.17 1ya8 s MET 446 CO 0.00 0.08 0.47 1.52 -0.01 0.00 0.00 175.02 177.09 1ya8 s TYR 447 N -3.24 -0.06 -0.19 -0.03 1.13 -1.16 -2.39 117.35 111.41 1ya8 s TYR 447 Ca 0.16 -0.28 -0.05 0.00 -1.41 0.00 0.00 57.07 55.49 1ya8 s TYR 447 Cb 0.02 0.31 0.07 0.00 -1.10 0.00 0.00 41.96 41.27 1ya8 s TYR 447 CO 0.01 -0.86 0.13 -2.00 -2.51 0.00 0.00 175.55 170.32 1ya8 s GLU 448 N -3.88 0.11 -0.32 -3.49 2.12 -0.67 -2.60 118.70 109.97 1ya8 s GLU 448 Ca 0.09 -0.01 -0.24 0.00 0.36 0.00 0.00 54.97 55.17 1ya8 s GLU 448 Cb -0.00 -1.60 0.01 0.00 0.26 0.00 0.00 34.13 32.79 1ya8 s GLU 448 CO -0.04 -0.68 0.84 0.12 -0.54 0.00 0.00 175.26 174.96 1ya8 s PHE 449 N 2.20 3.17 -0.48 5.30 5.36 -0.65 -1.76 117.98 131.12 1ya8 s PHE 449 Ca 0.04 0.82 0.03 0.00 -0.96 0.00 0.00 56.93 56.86 1ya8 s PHE 449 Cb -0.16 -3.36 0.14 0.00 -0.34 0.00 0.00 43.02 39.30 1ya8 s PHE 449 CO -0.11 -0.65 0.27 1.14 -1.46 0.00 0.00 175.22 174.41 1ya8 s GLN 450 N 3.13 1.53 -0.24 10.12 -2.07 -0.46 -1.05 119.66 130.63 1ya8 s GLN 450 Ca 0.35 -2.26 -0.26 0.00 -1.82 0.00 0.00 55.36 51.36 1ya8 s GLN 450 Cb -0.13 -2.63 0.08 0.00 -1.09 0.00 0.00 33.01 29.24 1ya8 s GLN 450 CO 0.14 -1.16 0.80 -0.47 -1.32 0.00 0.00 175.29 173.28 1ya8 s TYR 451 N 0.05 -0.68 -0.52 9.60 5.04 -1.26 -4.48 117.35 125.10 1ya8 s TYR 451 Ca 0.19 1.59 -0.15 0.00 -2.44 0.00 0.00 57.07 56.25 1ya8 s TYR 451 Cb -0.22 0.32 0.12 0.00 0.35 0.00 0.00 41.96 42.52 1ya8 s TYR 451 CO -0.02 -0.37 0.47 0.50 -1.34 0.00 0.00 175.55 174.78 1ya8 s ARG 452 N 0.06 2.96 0.76 4.97 3.52 -1.26 -2.50 118.95 127.46 1ya8 s ARG 452 Ca -0.01 -1.63 -0.15 0.00 -0.13 0.00 0.00 55.73 53.81 1ya8 s ARG 452 Cb -0.04 -4.24 0.03 0.00 -1.56 0.00 0.00 34.95 29.14 1ya8 s ARG 452 CO 0.01 -1.25 0.99 -0.35 -0.81 0.00 0.00 175.30 173.89 1ya8 n PRO 453 N 5.22 0.38 -0.02 5.12 -0.04 -1.26 -4.86 135.00 139.54 1ya8 n PRO 453 Ca -0.13 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1ya8 n PRO 453 Cb 0.41 -2.25 0.57 0.00 -0.04 0.00 0.00 33.50 32.18 1ya8 n PRO 453 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ya8 n SER 454 N -2.03 1.00 -1.18 3.54 3.41 -1.26 -3.30 113.62 113.80 1ya8 n SER 454 Ca 0.13 -1.45 0.10 0.00 -0.26 0.00 0.00 58.87 57.39 1ya8 n SER 454 Cb 0.50 -0.03 0.28 0.00 -0.26 0.00 0.00 64.21 64.69 1ya8 n SER 454 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ya8 n PHE 455 N -0.17 0.83 -1.12 7.33 3.01 -1.26 -4.99 117.46 121.08 1ya8 n PHE 455 Ca 0.18 -0.48 -0.31 0.00 1.01 0.00 0.00 57.45 57.85 1ya8 n PHE 455 Cb 0.25 -0.01 0.11 0.00 -0.01 0.00 0.00 39.48 39.82 1ya8 n PHE 455 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1ya8 s SER 456 N -1.03 4.05 0.54 4.37 0.01 -1.21 -4.99 113.70 115.44 1ya8 s SER 456 Ca 0.43 1.96 -0.19 0.00 1.31 0.00 0.00 55.95 59.46 1ya8 s SER 456 Cb 0.22 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 1ya8 s SER 456 CO 0.29 -2.34 1.10 -0.55 0.41 0.00 0.00 173.24 172.15 1ya8 s SER 457 N -3.08 5.82 0.10 2.44 0.15 -1.26 -4.97 113.70 112.90 1ya8 s SER 457 Ca 0.64 2.09 -0.25 0.00 0.70 0.00 0.00 55.95 59.13 1ya8 s SER 457 Cb -0.19 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.44 1ya8 s SER 457 CO 0.55 -1.15 1.68 0.44 1.20 0.00 0.00 173.24 175.97 1ya8 h ASP 458 N 1.16 -0.39 0.00 5.45 3.32 -2.00 -2.37 116.42 121.58 1ya8 h ASP 458 Ca -0.50 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1ya8 h ASP 458 Cb 1.25 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1ya8 h ASP 458 CO 0.57 -0.21 0.00 0.23 -1.72 0.00 0.00 179.24 178.11 1ya8 n MET 459 N -5.27 0.00 -3.35 3.56 2.81 -1.26 -4.56 117.12 109.05 1ya8 n MET 459 Ca -0.07 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.43 1ya8 n MET 459 Cb 0.19 -1.38 -0.09 0.00 -0.71 0.00 0.00 33.22 31.23 1ya8 n MET 459 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1ya8 s LYS 460 N -1.74 3.92 0.66 0.03 2.20 -0.90 -5.05 119.74 118.86 1ya8 s LYS 460 Ca 0.00 0.00 -0.17 0.00 -0.36 0.00 0.00 55.97 55.44 1ya8 s LYS 460 Cb 0.00 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1ya8 s LYS 460 CO 0.00 -0.36 0.88 -0.35 -0.36 0.00 0.00 175.35 175.16 1ya8 n PRO 461 N 5.41 0.65 0.06 4.03 -0.04 -1.26 -4.88 135.00 138.97 1ya8 n PRO 461 Ca -0.08 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 1ya8 n PRO 461 Cb 0.50 -2.11 0.48 0.00 -0.04 0.00 0.00 33.50 32.33 1ya8 n PRO 461 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ya8 n LYS 462 N -1.23 0.16 0.03 0.54 2.85 -1.26 -3.30 118.16 115.94 1ya8 n LYS 462 Ca 0.13 0.12 0.10 0.00 -1.05 0.00 0.00 58.31 57.61 1ya8 n LYS 462 Cb 0.49 -1.68 0.42 0.00 -0.65 0.00 0.00 35.03 33.61 1ya8 n LYS 462 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1ya8 n THR 463 N -1.95 0.71 -3.06 0.58 -2.24 -1.26 -4.75 114.28 102.32 1ya8 n THR 463 Ca 0.06 0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.60 1ya8 n THR 463 Cb 0.39 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.69 1ya8 n THR 463 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ya8 s VAL 464 N -3.06 4.78 -0.03 2.28 1.01 -1.21 -5.06 120.40 119.12 1ya8 s VAL 464 Ca 0.08 1.50 -0.00 0.00 0.00 0.00 0.00 61.98 63.56 1ya8 s VAL 464 Cb 0.12 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1ya8 s VAL 464 CO 0.37 0.39 0.03 -0.63 0.00 0.00 0.00 175.10 175.26 1ya8 s ILE 465 N -0.15 -0.04 -0.44 2.22 1.01 -1.26 -4.72 121.20 117.80 1ya8 s ILE 465 Ca 0.36 0.25 -0.01 0.00 0.00 0.00 0.00 60.65 61.25 1ya8 s ILE 465 Cb -0.20 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.16 1ya8 s ILE 465 CO 0.21 0.12 0.37 0.61 0.00 0.00 0.00 174.94 176.25 1ya8 n GLY 466 N 4.43 0.20 3.75 6.18 0.00 -1.04 -2.89 105.19 115.83 1ya8 n GLY 466 Ca -0.22 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 1ya8 n GLY 466 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya8 s ASP 467 N -3.42 2.62 0.28 1.61 2.15 -1.24 -0.31 116.67 118.35 1ya8 s ASP 467 Ca 0.04 0.76 -0.30 0.00 0.43 0.00 0.00 52.55 53.48 1ya8 s ASP 467 Cb -0.02 -1.15 -0.11 0.00 -0.30 0.00 0.00 42.92 41.35 1ya8 s ASP 467 CO 0.26 -3.08 1.53 -2.28 -0.17 0.00 0.00 175.17 171.43 1ya8 s HIS 468 N -3.29 2.86 0.00 -5.34 5.04 -1.24 -2.15 115.29 111.18 1ya8 s HIS 468 Ca 0.68 0.89 0.00 0.00 -1.54 0.00 0.00 55.06 55.09 1ya8 s HIS 468 Cb -0.12 -3.96 0.00 0.00 0.04 0.00 0.00 32.58 28.54 1ya8 s HIS 468 CO 0.54 -3.19 0.00 0.41 -2.34 0.00 0.00 174.74 170.16 1ya8 n GLY 469 N 2.15 2.21 0.38 1.59 0.00 -1.26 -4.87 105.19 105.39 1ya8 n GLY 469 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1ya8 n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ya8 h ASP 470 N 0.00 1.15 0.34 1.61 5.19 -1.78 -1.87 116.42 121.06 1ya8 h ASP 470 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1ya8 h ASP 470 Cb 0.00 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.23 1ya8 h ASP 470 CO 0.00 0.83 0.00 -1.84 -3.12 0.00 0.00 179.24 175.11 1ya8 n GLU 471 N -4.39 0.17 -0.03 3.56 0.00 -1.26 -3.09 120.64 115.60 1ya8 n GLU 471 Ca 0.12 0.16 -0.05 0.00 0.00 0.00 0.00 57.16 57.39 1ya8 n GLU 471 Cb 0.02 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.11 1ya8 n GLU 471 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1ya8 h LEU 472 N 0.00 0.62 -1.03 -1.84 3.38 -1.74 -1.79 115.31 112.91 1ya8 h LEU 472 Ca 0.00 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1ya8 h LEU 472 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ya8 h LEU 472 CO 0.00 0.84 -0.25 -0.26 0.09 0.00 0.00 178.44 178.86 1ya8 h PHE 473 N 0.55 0.44 -0.02 1.13 -1.00 -1.72 -2.14 116.94 114.18 1ya8 h PHE 473 Ca 0.08 -0.09 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 1ya8 h PHE 473 Cb 0.68 -0.11 0.01 0.00 3.61 0.00 0.00 35.95 40.14 1ya8 h PHE 473 CO 0.03 0.62 -0.48 0.77 -1.61 0.00 0.00 178.31 177.63 1ya8 h SER 474 N 0.36 0.45 -0.53 2.17 0.02 -1.72 0.63 113.55 114.93 1ya8 h SER 474 Ca 0.05 -0.74 0.03 0.00 -0.84 0.00 0.00 61.79 60.29 1ya8 h SER 474 Cb 0.63 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 1ya8 h SER 474 CO 0.04 1.13 0.31 0.58 -1.14 0.00 0.00 176.83 177.75 1ya8 h VAL 475 N -0.19 1.04 -0.97 2.27 2.07 -1.22 -2.43 116.25 116.82 1ya8 h VAL 475 Ca -0.06 -0.21 -0.48 0.00 0.82 0.00 0.00 66.70 66.77 1ya8 h VAL 475 Cb 1.19 0.38 -0.29 0.00 -1.52 0.00 0.00 31.29 31.05 1ya8 h VAL 475 CO 0.10 0.11 0.61 0.49 0.02 0.00 0.00 177.57 178.90 1ya8 n PHE 476 N -4.80 3.01 -4.04 1.57 3.01 -0.82 -4.73 117.46 110.66 1ya8 n PHE 476 Ca 0.04 -1.77 -0.45 0.00 1.01 0.00 0.00 57.45 56.28 1ya8 n PHE 476 Cb 0.09 -0.92 0.02 0.00 -0.01 0.00 0.00 39.48 38.66 1ya8 n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya8 n GLY 477 N -1.02 -0.87 0.33 1.37 0.00 -0.91 -4.58 105.19 99.50 1ya8 n GLY 477 Ca 0.58 0.36 -0.04 0.00 0.00 0.00 0.00 46.02 46.91 1ya8 n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 h ALA 478 N 1.58 1.15 0.00 4.61 0.00 0.04 -2.53 119.26 124.11 1ya8 h ALA 478 Ca -0.71 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1ya8 h ALA 478 Cb 1.40 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ya8 h ALA 478 CO 0.51 0.60 0.34 -1.35 0.00 0.00 0.00 179.25 179.35 1ya8 h PRO 479 N 0.99 0.00 -0.06 0.00 0.11 -1.88 0.26 132.00 131.42 1ya8 h PRO 479 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1ya8 h PRO 479 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1ya8 h PRO 479 CO -0.02 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.96 1ya8 n PHE 480 N -2.48 0.04 0.00 0.65 3.01 -0.95 -4.53 117.46 113.20 1ya8 n PHE 480 Ca -0.01 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1ya8 n PHE 480 Cb 0.37 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 1ya8 n PHE 480 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ya8 n LEU 481 N 1.22 0.32 0.00 4.37 4.77 0.08 -4.99 117.00 122.77 1ya8 n LEU 481 Ca 0.13 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.94 1ya8 n LEU 481 Cb 0.54 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.76 1ya8 n LEU 481 CO 0.14 0.02 0.45 0.29 -1.33 0.00 0.00 177.39 176.96 1ya8 n LYS 482 N -2.91 -1.42 -4.29 3.23 5.02 0.69 -4.29 118.16 114.20 1ya8 n LYS 482 Ca 0.00 -1.13 -0.23 0.00 -2.02 0.00 0.00 58.31 54.93 1ya8 n LYS 482 Cb 0.47 -0.87 -0.12 0.00 -0.02 0.00 0.00 35.03 34.48 1ya8 n LYS 482 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ya8 s GLU 483 N -4.60 1.13 0.00 1.97 2.56 -1.26 -4.78 118.70 113.71 1ya8 s GLU 483 Ca 0.43 -1.19 0.00 0.00 0.00 0.00 0.00 54.97 54.21 1ya8 s GLU 483 Cb -0.02 -1.33 0.00 0.00 2.00 0.00 0.00 34.13 34.78 1ya8 s GLU 483 CO 0.31 0.30 0.00 0.41 -0.56 0.00 0.00 175.26 175.72 1ya8 n GLY 484 N 0.94 0.71 3.64 -1.50 0.00 -1.26 -5.04 105.19 102.69 1ya8 n GLY 484 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 1ya8 n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 n ALA 485 N -1.25 0.47 -2.06 4.61 0.00 -1.26 -4.95 120.51 116.07 1ya8 n ALA 485 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 1ya8 n ALA 485 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.28 1ya8 n ALA 485 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ya8 s SER 486 N -0.12 6.39 0.54 0.00 1.04 -1.26 -4.83 113.70 115.45 1ya8 s SER 486 Ca 0.64 1.24 0.29 0.00 0.48 0.00 0.00 55.95 58.59 1ya8 s SER 486 Cb -0.68 -2.38 1.45 0.00 0.10 0.00 0.00 66.02 64.51 1ya8 s SER 486 CO 0.56 -0.62 1.93 -0.08 0.98 0.00 0.00 173.24 176.01 1ya8 h GLU 487 N 0.47 0.00 -0.16 4.02 4.57 -1.99 0.12 114.58 121.61 1ya8 h GLU 487 Ca -0.46 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.50 1ya8 h GLU 487 Cb 1.19 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1ya8 h GLU 487 CO 0.62 0.00 -0.76 1.49 -1.18 0.00 0.00 179.01 179.19 1ya8 h GLU 488 N 0.00 0.78 -0.11 1.92 4.81 -1.99 -1.88 114.58 118.11 1ya8 h GLU 488 Ca 0.35 -0.62 -0.18 0.00 -0.13 0.00 0.00 59.36 58.77 1ya8 h GLU 488 Cb 1.41 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.91 1ya8 h GLU 488 CO -0.00 1.23 -0.69 1.49 -0.73 0.00 0.00 179.01 180.31 1ya8 h GLU 489 N 0.54 0.47 -0.19 1.92 4.81 -1.33 -0.89 114.58 119.90 1ya8 h GLU 489 Ca -0.05 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1ya8 h GLU 489 Cb 1.38 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1ya8 h GLU 489 CO 0.16 0.99 0.11 0.82 -0.73 0.00 0.00 179.01 180.35 1ya8 h ILE 490 N 0.33 1.10 -0.61 2.32 2.04 -0.86 -2.40 117.51 119.43 1ya8 h ILE 490 Ca -0.02 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1ya8 h ILE 490 Cb 1.26 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1ya8 h ILE 490 CO 0.12 0.09 0.31 0.03 0.00 0.00 0.00 178.15 178.71 1ya8 h ARG 491 N 0.21 0.86 -0.66 2.37 3.08 -1.20 -1.67 114.38 117.37 1ya8 h ARG 491 Ca 0.07 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1ya8 h ARG 491 Cb 0.05 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1ya8 h ARG 491 CO -0.01 0.67 0.43 1.25 -1.07 0.00 0.00 179.97 181.25 1ya8 h LEU 492 N 0.83 0.59 -0.08 3.04 5.85 -0.94 -1.19 115.31 123.40 1ya8 h LEU 492 Ca 0.21 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1ya8 h LEU 492 Cb 0.08 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1ya8 h LEU 492 CO -0.03 0.38 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.01 1ya8 h SER 493 N 0.67 0.28 -0.93 1.25 0.87 -0.91 -1.65 113.55 113.14 1ya8 h SER 493 Ca 0.28 -0.56 0.10 0.00 -1.23 0.00 0.00 61.79 60.38 1ya8 h SER 493 Cb 0.25 -0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.06 1ya8 h SER 493 CO -0.09 0.79 0.57 0.11 -0.53 0.00 0.00 176.83 177.68 1ya8 h LYS 494 N -0.22 0.91 0.74 2.24 1.57 -0.80 -1.48 116.57 119.53 1ya8 h LYS 494 Ca 0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1ya8 h LYS 494 Cb 0.75 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1ya8 h LYS 494 CO 0.04 0.60 -0.35 1.98 -0.57 0.00 0.00 179.45 181.14 1ya8 h MET 495 N 0.93 -0.95 -0.67 3.15 4.05 -1.19 -2.13 114.93 118.12 1ya8 h MET 495 Ca 0.45 0.06 0.14 0.00 -0.28 0.00 0.00 59.70 60.07 1ya8 h MET 495 Cb 0.39 0.22 -0.10 0.00 -0.80 0.00 0.00 31.60 31.31 1ya8 h MET 495 CO -0.25 -0.63 0.15 0.28 0.23 0.00 0.00 176.91 176.69 1ya8 h VAL 496 N -1.10 0.57 -0.26 -5.77 2.07 -1.10 -1.16 116.25 109.51 1ya8 h VAL 496 Ca -0.10 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1ya8 h VAL 496 Cb 0.76 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1ya8 h VAL 496 CO 0.17 0.05 0.14 0.24 0.02 0.00 0.00 177.57 178.19 1ya8 h MET 497 N 0.26 0.29 -0.47 1.57 2.07 -1.28 0.22 114.93 117.59 1ya8 h MET 497 Ca 0.36 -0.02 0.08 0.00 -2.07 0.00 0.00 59.70 58.06 1ya8 h MET 497 Cb 0.58 -0.07 -0.06 0.00 -1.87 0.00 0.00 31.60 30.18 1ya8 h MET 497 CO -0.46 0.19 0.09 0.87 1.07 0.00 0.00 176.91 178.67 1ya8 h LYS 498 N 0.30 0.22 0.02 1.72 1.57 -0.54 0.21 116.57 120.07 1ya8 h LYS 498 Ca 0.10 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1ya8 h LYS 498 Cb 0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1ya8 h LYS 498 CO -0.06 0.15 -0.14 0.74 -0.57 0.00 0.00 179.45 179.58 1ya8 h PHE 499 N 0.23 -0.35 0.63 -1.35 0.05 -0.79 0.65 116.94 116.00 1ya8 h PHE 499 Ca 0.23 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 62.01 1ya8 h PHE 499 Cb 0.30 0.15 -0.01 0.00 2.00 0.00 0.00 35.95 38.40 1ya8 h PHE 499 CO -0.22 -0.20 -0.42 -1.49 -0.18 0.00 0.00 178.31 175.80 1ya8 h TRP 500 N -0.24 -1.12 -0.58 -0.55 -0.00 -0.39 -0.55 115.95 112.52 1ya8 h TRP 500 Ca 0.04 -0.01 0.12 0.00 -0.00 0.00 0.00 58.89 59.04 1ya8 h TRP 500 Cb 0.29 0.40 -0.11 0.00 -0.00 0.00 0.00 29.16 29.74 1ya8 h TRP 500 CO -0.18 -0.61 -0.10 0.00 -0.00 0.00 0.00 178.44 177.55 1ya8 h ALA 501 N -1.26 0.44 -0.46 1.49 0.00 -0.51 0.11 119.26 119.08 1ya8 h ALA 501 Ca -0.08 0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1ya8 h ALA 501 Cb 0.80 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1ya8 h ALA 501 CO 0.07 -0.42 0.03 -0.91 0.00 0.00 0.00 179.25 178.01 1ya8 h ASN 502 N 0.03 -0.13 -0.85 0.00 2.35 0.50 0.13 115.58 117.61 1ya8 h ASN 502 Ca 0.29 0.10 0.04 0.00 -0.55 0.00 0.00 56.30 56.18 1ya8 h ASN 502 Cb 0.45 0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.94 1ya8 h ASN 502 CO -0.57 -0.03 0.56 0.15 -1.65 0.00 0.00 177.43 175.89 1ya8 h PHE 503 N 0.15 1.01 0.00 1.19 3.57 0.66 0.41 116.94 123.92 1ya8 h PHE 503 Ca 0.23 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1ya8 h PHE 503 Cb 0.32 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1ya8 h PHE 503 CO -0.27 0.58 -0.06 0.00 -2.23 0.00 0.00 178.31 176.33 1ya8 h ALA 504 N 1.51 1.02 0.00 2.41 0.00 0.15 1.14 119.26 125.49 1ya8 h ALA 504 Ca 0.34 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.94 1ya8 h ALA 504 Cb 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1ya8 h ALA 504 CO -0.10 0.08 -1.42 0.54 0.00 0.00 0.00 179.25 178.34 1ya8 n ARG 505 N -3.19 0.57 -0.03 0.00 1.74 -0.07 -4.72 116.66 110.95 1ya8 n ARG 505 Ca 0.00 0.53 -0.00 0.00 -0.77 0.00 0.00 57.85 57.61 1ya8 n ARG 505 Cb 0.33 -1.71 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 1ya8 n ARG 505 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ya8 n ASN 506 N -4.41 2.41 0.00 0.55 3.02 0.01 -4.99 115.26 111.84 1ya8 n ASN 506 Ca -0.35 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 1ya8 n ASN 506 Cb 0.70 1.09 0.00 0.00 -0.61 0.00 0.00 39.78 40.96 1ya8 n ASN 506 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ya8 n GLY 507 N 2.14 1.13 3.21 7.41 0.00 0.39 -5.02 105.19 114.45 1ya8 n GLY 507 Ca -0.11 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 1ya8 n GLY 507 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ya8 s ASN 508 N -2.41 -0.14 0.45 1.61 3.84 -1.25 -4.92 114.94 112.12 1ya8 s ASN 508 Ca 0.00 0.89 0.15 0.00 0.21 0.00 0.00 52.86 54.11 1ya8 s ASN 508 Cb 0.00 1.24 1.02 0.00 -0.55 0.00 0.00 41.25 42.96 1ya8 s ASN 508 CO 0.00 -0.24 1.98 1.55 -2.79 0.00 0.00 177.10 177.60 1ya8 h PRO 509 N 8.19 0.00 -7.01 0.43 0.13 -1.83 -3.12 132.00 128.79 1ya8 h PRO 509 Ca -0.16 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.43 1ya8 h PRO 509 Cb 1.11 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.42 1ya8 h PRO 509 CO 0.13 0.20 0.12 0.09 -0.23 0.00 0.00 178.00 178.31 1ya8 n ASN 510 N -4.23 0.48 0.00 1.44 3.02 -1.26 -4.51 115.26 110.20 1ya8 n ASN 510 Ca -0.02 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 1ya8 n ASN 510 Cb 0.26 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 1ya8 n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ya8 n GLY 511 N 0.98 1.30 3.76 7.41 0.00 -1.26 -4.91 105.19 112.47 1ya8 n GLY 511 Ca 0.13 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1ya8 n GLY 511 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ya8 s GLU 512 N -2.00 4.20 0.00 1.61 -1.05 -1.26 -2.91 118.70 117.29 1ya8 s GLU 512 Ca 0.00 2.44 0.00 0.00 -0.15 0.00 0.00 54.97 57.26 1ya8 s GLU 512 Cb 0.00 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.64 1ya8 s GLU 512 CO 0.00 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.13 1ya8 n GLY 513 N 1.72 0.81 3.22 -3.83 0.00 -1.26 -5.07 105.19 100.78 1ya8 n GLY 513 Ca 0.05 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1ya8 n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ya8 s LEU 514 N 0.00 2.32 0.58 0.99 1.43 -1.15 -5.10 118.68 117.76 1ya8 s LEU 514 Ca 0.00 -0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 52.21 1ya8 s LEU 514 Cb 0.00 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 1ya8 s LEU 514 CO 0.00 -0.07 1.25 -2.84 0.23 0.00 0.00 176.35 174.92 1ya8 s PRO 515 N -2.08 2.99 0.03 1.29 0.02 -1.26 -4.83 135.00 131.16 1ya8 s PRO 515 Ca 0.03 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 1ya8 s PRO 515 Cb -0.08 -2.02 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 1ya8 s PRO 515 CO 0.03 -1.22 1.33 -1.58 -0.33 0.00 0.00 177.00 175.23 1ya8 s HIS 516 N -1.49 3.10 -0.39 6.54 2.46 -1.26 -4.91 115.29 119.35 1ya8 s HIS 516 Ca 0.76 1.00 -0.09 0.00 0.47 0.00 0.00 55.06 57.20 1ya8 s HIS 516 Cb -0.34 -3.58 0.05 0.00 -0.13 0.00 0.00 32.58 28.58 1ya8 s HIS 516 CO 0.37 -2.03 0.21 -0.46 -2.47 0.00 0.00 174.74 170.36 1ya8 s TRP 517 N 1.83 3.28 0.64 3.88 -0.11 -1.26 -4.55 118.94 122.66 1ya8 s TRP 517 Ca 0.62 -1.29 -0.15 0.00 1.22 0.00 0.00 56.10 56.50 1ya8 s TRP 517 Cb -0.31 -2.62 -0.01 0.00 -1.50 0.00 0.00 33.47 29.03 1ya8 s TRP 517 CO 0.27 -0.75 1.09 -1.25 -4.62 0.00 0.00 176.95 171.69 1ya8 s PRO 518 N 1.47 2.96 0.54 5.86 0.04 -1.26 -4.78 135.00 139.84 1ya8 s PRO 518 Ca 0.02 1.29 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 1ya8 s PRO 518 Cb -0.21 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 1ya8 s PRO 518 CO 0.04 -1.11 1.03 -2.00 0.04 0.00 0.00 177.00 175.00 1ya8 s GLU 519 N -4.19 3.65 -1.29 4.56 2.12 -1.26 -4.55 118.70 117.74 1ya8 s GLU 519 Ca 0.65 1.16 -0.13 0.00 0.36 0.00 0.00 54.97 57.01 1ya8 s GLU 519 Cb -0.18 -2.08 0.13 0.00 0.26 0.00 0.00 34.13 32.26 1ya8 s GLU 519 CO 0.41 -0.53 1.77 0.98 -0.54 0.00 0.00 175.26 177.35 1ya8 n TYR 520 N -1.59 3.96 -0.74 5.30 9.36 0.65 -3.83 117.16 130.26 1ya8 n TYR 520 Ca 0.08 -3.01 0.00 0.00 3.32 0.00 0.00 57.90 58.29 1ya8 n TYR 520 Cb 0.53 -2.24 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 1ya8 n TYR 520 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1ya8 n ASN 521 N 5.52 0.00 -0.31 2.98 0.23 -1.26 -4.69 115.26 117.74 1ya8 n ASN 521 Ca 0.42 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.47 1ya8 n ASN 521 Cb 0.40 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.23 1ya8 n ASN 521 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1ya8 h GLN 522 N 0.00 0.97 0.00 -3.83 1.08 -2.00 -0.87 115.11 110.46 1ya8 h GLN 522 Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1ya8 h GLN 522 Cb 0.00 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.21 1ya8 h GLN 522 CO 0.00 0.64 0.00 1.63 -0.95 0.00 0.00 178.83 180.15 1ya8 n LYS 523 N -4.60 0.08 -3.56 1.46 4.01 -1.26 -4.87 118.16 109.41 1ya8 n LYS 523 Ca 0.12 0.36 -0.23 0.00 -0.51 0.00 0.00 58.31 58.05 1ya8 n LYS 523 Cb 0.15 -1.66 0.08 0.00 -0.51 0.00 0.00 35.03 33.09 1ya8 n LYS 523 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1ya8 n GLU 524 N -1.80 -7.70 -2.47 1.97 1.02 -0.33 -4.15 120.64 107.18 1ya8 n GLU 524 Ca 0.02 0.81 -0.35 0.00 -0.02 0.00 0.00 57.16 57.62 1ya8 n GLU 524 Cb 0.17 -5.79 -0.03 0.00 -0.02 0.00 0.00 31.44 25.77 1ya8 n GLU 524 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ya8 s GLY 525 N -3.37 2.60 0.26 0.62 0.00 -1.25 -1.60 107.32 104.57 1ya8 s GLY 525 Ca 0.54 0.69 -0.14 0.00 0.00 0.00 0.00 44.72 45.81 1ya8 s GLY 525 CO 0.71 1.05 0.52 -2.52 0.00 0.00 0.00 173.10 172.86 1ya8 s TYR 526 N -1.84 0.30 -0.18 1.90 -0.85 -0.22 -3.68 117.35 112.77 1ya8 s TYR 526 Ca 0.66 -0.68 -0.07 0.00 -0.52 0.00 0.00 57.07 56.46 1ya8 s TYR 526 Cb -0.20 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 1ya8 s TYR 526 CO 0.24 -1.05 0.06 -1.17 -1.52 0.00 0.00 175.55 172.11 1ya8 s LEU 527 N -3.01 3.77 -0.37 -3.49 2.96 -1.01 -0.37 118.68 117.17 1ya8 s LEU 527 Ca 0.21 0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 54.00 1ya8 s LEU 527 Cb -0.02 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1ya8 s LEU 527 CO 0.09 0.17 0.48 -1.58 -1.32 0.00 0.00 176.35 174.19 1ya8 s GLN 528 N 0.42 3.50 -0.15 1.98 0.74 0.19 -1.67 119.66 124.67 1ya8 s GLN 528 Ca 0.03 -0.32 -0.06 0.00 0.05 0.00 0.00 55.36 55.06 1ya8 s GLN 528 Cb -0.13 -3.84 -0.04 0.00 1.10 0.00 0.00 33.01 30.10 1ya8 s GLN 528 CO 0.01 -0.68 0.05 0.42 -0.55 0.00 0.00 175.29 174.54 1ya8 s ILE 529 N 2.31 4.69 -2.31 -2.34 1.01 -0.72 -1.26 121.20 122.58 1ya8 s ILE 529 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1ya8 s ILE 529 Cb -0.16 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1ya8 s ILE 529 CO 0.13 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1ya8 n GLY 530 N 2.95 -0.86 0.39 6.18 0.00 -1.26 -1.35 105.19 111.23 1ya8 n GLY 530 Ca -0.18 -0.90 0.20 0.00 0.00 0.00 0.00 46.02 45.14 1ya8 n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya8 h ALA 531 N 0.00 2.04 -2.91 4.61 0.00 -1.95 -3.08 119.26 117.97 1ya8 h ALA 531 Ca 0.00 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 1ya8 h ALA 531 Cb 0.00 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.42 1ya8 h ALA 531 CO 0.00 -0.69 -0.78 -0.80 0.00 0.00 0.00 179.25 176.98 1ya8 s ASN 532 N -4.94 3.60 -0.14 0.00 0.01 -1.26 -5.10 114.94 107.10 1ya8 s ASN 532 Ca -0.04 -1.90 -0.21 0.00 -0.71 0.00 0.00 52.86 50.00 1ya8 s ASN 532 Cb 0.14 -0.68 -0.03 0.00 0.41 0.00 0.00 41.25 41.08 1ya8 s ASN 532 CO 0.48 -0.36 0.60 -0.89 -1.51 0.00 0.00 177.10 175.42 1ya8 s THR 533 N 1.32 5.08 0.21 1.60 2.01 -1.17 -4.77 115.64 119.92 1ya8 s THR 533 Ca 0.13 1.18 -0.17 0.00 0.31 0.00 0.00 61.69 63.14 1ya8 s THR 533 Cb -0.20 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.40 1ya8 s THR 533 CO -0.16 0.21 0.53 0.00 -0.69 0.00 0.00 174.62 174.50 1ya8 s GLN 534 N 1.28 1.44 0.46 4.92 0.00 -0.39 -4.96 119.66 122.41 1ya8 s GLN 534 Ca 0.30 -0.94 -0.12 0.00 -0.00 0.00 0.00 55.36 54.60 1ya8 s GLN 534 Cb -0.16 0.52 -0.07 0.00 0.00 0.00 0.00 33.01 33.30 1ya8 s GLN 534 CO 0.12 -0.61 0.86 0.00 0.00 0.00 0.00 175.29 175.65 1ya8 s ALA 535 N -3.90 3.24 0.08 2.60 0.00 -1.26 0.54 121.76 123.07 1ya8 s ALA 535 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1ya8 s ALA 535 Cb -0.01 -2.86 -0.00 0.00 0.00 0.00 0.00 23.12 20.25 1ya8 s ALA 535 CO -0.00 -0.14 0.10 0.00 0.00 0.00 0.00 175.76 175.73 1ya8 n ALA 536 N -1.51 -0.02 -2.59 0.00 0.00 0.50 -4.84 120.51 112.06 1ya8 n ALA 536 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 1ya8 n ALA 536 Cb 0.54 0.33 -0.09 0.00 0.00 0.00 0.00 19.45 20.23 1ya8 n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ya8 s GLN 537 N -2.23 0.61 -1.26 0.00 -0.21 -1.26 -1.05 119.66 114.26 1ya8 s GLN 537 Ca 0.08 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.58 1ya8 s GLN 537 Cb -0.00 0.24 0.00 0.00 1.00 0.00 0.00 33.01 34.25 1ya8 s GLN 537 CO 0.05 -0.15 0.92 1.63 -2.12 0.00 0.00 175.29 175.63 1ya8 n LYS 538 N 0.57 -6.19 -1.67 2.91 5.02 -0.63 -4.91 118.16 113.26 1ya8 n LYS 538 Ca -0.18 0.77 -0.47 0.00 -2.02 0.00 0.00 58.31 56.41 1ya8 n LYS 538 Cb 0.59 -5.64 -0.04 0.00 -0.02 0.00 0.00 35.03 29.92 1ya8 n LYS 538 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ya8 n LEU 539 N -4.28 3.21 0.00 -0.35 7.94 -1.26 -1.70 117.00 120.56 1ya8 n LEU 539 Ca -0.25 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.69 1ya8 n LEU 539 Cb 0.66 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.20 1ya8 n LEU 539 CO 0.64 -0.21 0.00 0.29 -1.11 0.00 0.00 177.39 177.00 1ya8 n LYS 540 N 4.58 -1.90 -0.30 1.96 4.76 -1.26 -4.83 118.16 121.17 1ya8 n LYS 540 Ca 0.19 0.38 0.10 0.00 -2.87 0.00 0.00 58.31 56.11 1ya8 n LYS 540 Cb 0.29 -4.47 0.22 0.00 -1.84 0.00 0.00 35.03 29.23 1ya8 n LYS 540 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1ya8 h ASP 541 N 0.00 -0.42 -0.03 4.39 1.82 -1.71 -0.11 116.42 120.37 1ya8 h ASP 541 Ca 0.00 0.24 0.01 0.00 -0.39 0.00 0.00 57.03 56.88 1ya8 h ASP 541 Cb 0.76 0.42 -0.01 0.00 0.68 0.00 0.00 39.33 41.18 1ya8 h ASP 541 CO 0.00 -0.26 -0.01 0.50 -1.61 0.00 0.00 179.24 177.86 1ya8 h LYS 542 N 0.07 -0.01 0.12 0.28 3.64 -1.88 -2.76 116.57 116.03 1ya8 h LYS 542 Ca 0.50 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.88 1ya8 h LYS 542 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1ya8 h LYS 542 CO -0.80 -0.00 -0.06 0.93 -2.27 0.00 0.00 179.45 177.25 1ya8 h GLU 543 N -0.01 -0.15 -0.79 1.90 3.07 -1.57 -1.93 114.58 115.10 1ya8 h GLU 543 Ca 0.02 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.03 1ya8 h GLU 543 Cb 0.03 0.03 -0.14 0.00 -0.84 0.00 0.00 28.75 27.83 1ya8 h GLU 543 CO -0.03 0.07 -0.29 0.28 -1.40 0.00 0.00 179.01 177.64 1ya8 h VAL 544 N -0.36 0.13 0.48 3.13 2.07 -1.07 0.15 116.25 120.78 1ya8 h VAL 544 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1ya8 h VAL 544 Cb 0.29 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1ya8 h VAL 544 CO 0.03 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.24 1ya8 h ALA 545 N 1.45 -0.88 -0.40 1.67 0.00 -1.33 -1.37 119.26 118.39 1ya8 h ALA 545 Ca 0.33 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1ya8 h ALA 545 Cb 0.58 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1ya8 h ALA 545 CO -0.83 -1.03 -0.09 0.35 0.00 0.00 0.00 179.25 177.66 1ya8 h PHE 546 N -0.85 -0.19 0.00 0.00 3.57 -0.39 -1.88 116.94 117.21 1ya8 h PHE 546 Ca -0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ya8 h PHE 546 Cb 0.73 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1ya8 h PHE 546 CO -0.17 -0.16 0.00 -1.49 -2.23 0.00 0.00 178.31 174.26 1ya8 h TRP 547 N 0.01 0.00 -0.13 0.41 4.06 -0.63 -2.29 115.95 117.38 1ya8 h TRP 547 Ca 0.19 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.92 1ya8 h TRP 547 Cb 0.29 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1ya8 h TRP 547 CO -0.35 0.00 -0.80 1.15 -3.56 0.00 0.00 178.44 174.89 1ya8 h THR 548 N 0.00 1.29 0.11 1.49 2.02 -0.40 -2.28 112.91 115.14 1ya8 h THR 548 Ca 0.00 -2.02 -0.01 0.00 0.77 0.00 0.00 66.41 65.16 1ya8 h THR 548 Cb 0.49 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1ya8 h THR 548 CO 0.00 0.63 -0.05 0.78 0.37 0.00 0.00 175.52 177.25 1ya8 h ASN 549 N 0.50 -0.13 -0.82 4.18 2.35 -1.40 -2.77 115.58 117.50 1ya8 h ASN 549 Ca -0.06 -0.40 0.18 0.00 -0.55 0.00 0.00 56.30 55.47 1ya8 h ASN 549 Cb 1.42 0.03 -0.11 0.00 0.05 0.00 0.00 38.32 39.72 1ya8 h ASN 549 CO 0.16 0.49 0.32 0.25 -1.65 0.00 0.00 177.43 177.00 1ya8 h LEU 550 N -0.91 0.25 -0.88 1.61 5.85 -1.52 0.36 115.31 120.07 1ya8 h LEU 550 Ca -0.02 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1ya8 h LEU 550 Cb 0.53 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1ya8 h LEU 550 CO 0.03 0.04 0.00 -0.26 -0.34 0.00 0.00 178.44 177.90 1ya8 h PHE 551 N 0.40 0.00 -0.34 1.25 0.05 -1.50 -2.93 116.94 113.87 1ya8 h PHE 551 Ca 0.48 0.00 -0.21 0.00 3.82 0.00 0.00 57.97 62.06 1ya8 h PHE 551 Cb 0.82 0.00 -0.10 0.00 2.00 0.00 0.00 35.95 38.67 1ya8 h PHE 551 CO -0.17 0.00 0.27 0.00 -0.18 0.00 0.00 178.31 178.22 1ya8 n ALA 552 N -2.01 4.25 -0.09 2.45 0.00 0.13 -5.08 120.51 120.16 1ya8 n ALA 552 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1ya8 n ALA 552 Cb 0.35 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1ya8 n ALA 552 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13