#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpf s LYS 2 N 0.00 0.84 0.18 2.12 1.02 -1.26 -4.11 119.74 118.52 3hpf s LYS 2 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 3hpf s LYS 2 Cb 0.00 -0.80 -0.08 0.00 -0.52 0.00 0.00 37.83 36.43 3hpf s LYS 2 CO 0.00 0.21 1.23 0.42 -0.92 0.00 0.00 175.35 176.29 3hpf s ILE 3 N -0.58 3.52 0.00 2.17 1.01 -0.01 -1.27 121.20 126.04 3hpf s ILE 3 Ca 0.02 1.25 0.00 0.00 0.00 0.00 0.00 60.65 61.92 3hpf s ILE 3 Cb -0.06 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3hpf s ILE 3 CO 0.00 0.18 0.00 0.35 0.00 0.00 0.00 174.94 175.48 3hpf n THR 4 N 2.70 0.00 -3.66 2.92 -2.24 -0.08 -0.03 114.28 113.89 3hpf n THR 4 Ca 0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.75 3hpf n THR 4 Cb 0.44 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 3hpf n THR 4 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hpf s ASP 5 N -1.87 -0.38 -0.05 3.42 2.15 -1.20 -4.95 116.67 113.79 3hpf s ASP 5 Ca 0.00 -0.31 -0.04 0.00 0.43 0.00 0.00 52.55 52.62 3hpf s ASP 5 Cb 0.00 0.63 0.02 0.00 -0.30 0.00 0.00 42.92 43.27 3hpf s ASP 5 CO 0.00 -1.11 0.14 -0.22 -0.17 0.00 0.00 175.17 173.81 3hpf s LEU 6 N -2.83 1.38 -0.02 -1.34 2.96 -1.26 -1.18 118.68 116.40 3hpf s LEU 6 Ca 0.07 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.31 3hpf s LEU 6 Cb -0.03 0.46 -0.01 0.00 0.50 0.00 0.00 46.19 47.10 3hpf s LEU 6 CO -0.02 -0.06 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.16 3hpf s GLU 7 N 0.21 1.46 -0.17 1.98 2.02 -0.26 -5.00 118.70 118.93 3hpf s GLU 7 Ca -0.01 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.36 3hpf s GLU 7 Cb -0.02 -1.39 0.03 0.00 0.10 0.00 0.00 34.13 32.85 3hpf s GLU 7 CO -0.01 0.37 -0.12 -0.51 0.02 0.00 0.00 175.26 175.01 3hpf s LEU 8 N -0.37 1.96 -0.33 1.80 1.43 -1.26 -1.62 118.68 120.29 3hpf s LEU 8 Ca 0.06 -0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 3hpf s LEU 8 Cb -0.07 -1.18 0.04 0.00 0.03 0.00 0.00 46.19 45.00 3hpf s LEU 8 CO -0.00 -0.11 0.09 -1.00 0.23 0.00 0.00 176.35 175.55 3hpf s HIS 9 N 1.45 3.24 0.10 0.29 3.76 0.51 -4.93 115.29 119.71 3hpf s HIS 9 Ca 0.02 -1.45 -0.29 0.00 -0.15 0.00 0.00 55.06 53.19 3hpf s HIS 9 Cb -0.15 -2.25 -0.06 0.00 1.11 0.00 0.00 32.58 31.24 3hpf s HIS 9 CO -0.09 -0.73 0.94 0.00 -0.85 0.00 0.00 174.74 174.01 3hpf s ALA 10 N 1.39 3.26 0.05 -1.40 0.00 -1.26 0.05 121.76 123.85 3hpf s ALA 10 Ca -0.02 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.51 3hpf s ALA 10 Cb -0.19 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3hpf s ALA 10 CO 0.02 -0.02 -0.11 0.14 0.00 0.00 0.00 175.76 175.80 3hpf s VAL 11 N 0.00 0.79 -0.18 0.00 -7.23 -0.15 -2.10 120.40 111.55 3hpf s VAL 11 Ca 0.46 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.54 3hpf s VAL 11 Cb -0.23 -0.80 0.02 0.00 0.56 0.00 0.00 36.38 35.94 3hpf s VAL 11 CO 0.29 -0.26 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.82 3hpf s GLY 12 N -1.50 1.33 -0.10 2.32 0.00 0.61 -0.99 107.32 108.99 3hpf s GLY 12 Ca -0.05 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 3hpf s GLY 12 CO 0.01 0.39 -0.04 -0.42 0.00 0.00 0.00 173.10 173.05 3hpf s ILE 13 N 1.34 0.72 0.59 0.90 1.01 -0.26 -4.80 121.20 120.69 3hpf s ILE 13 Ca 0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.41 3hpf s ILE 13 Cb -0.14 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 3hpf s ILE 13 CO -0.12 0.28 1.02 -2.16 0.00 0.00 0.00 174.94 173.97 3hpf s PRO 14 N 1.83 3.55 0.41 2.79 0.04 -1.26 -2.41 135.00 139.95 3hpf s PRO 14 Ca 0.05 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 3hpf s PRO 14 Cb -0.13 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3hpf s PRO 14 CO -0.07 -0.60 0.64 1.03 0.04 0.00 0.00 177.00 178.04 3hpf s ARG 15 N -4.49 3.40 0.52 4.56 0.52 0.11 -1.68 118.95 121.90 3hpf s ARG 15 Ca 0.59 -0.21 0.22 0.00 -0.52 0.00 0.00 55.73 55.81 3hpf s ARG 15 Cb -0.12 -2.56 1.34 0.00 0.52 0.00 0.00 34.95 34.13 3hpf s ARG 15 CO 0.42 -0.05 2.04 0.45 0.02 0.00 0.00 175.30 178.18 3hpf h HIS 16 N 0.52 0.02 -0.00 -0.53 3.86 -1.30 -1.23 115.15 116.48 3hpf h HIS 16 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 3hpf h HIS 16 Cb 1.22 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3hpf h HIS 16 CO 0.52 0.01 -0.05 0.25 0.86 0.00 0.00 177.93 179.51 3hpf n THR 17 N -4.43 0.00 0.00 2.45 -2.24 -1.26 -4.96 114.28 103.84 3hpf n THR 17 Ca 0.06 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3hpf n THR 17 Cb 0.44 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3hpf n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hpf n GLY 18 N 1.23 2.26 3.76 3.38 0.00 -0.47 -4.53 105.19 110.82 3hpf n GLY 18 Ca 0.16 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3hpf n GLY 18 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hpf s PHE 19 N -0.53 2.74 -0.26 1.61 2.19 -1.26 -4.62 117.98 117.85 3hpf s PHE 19 Ca 0.00 0.90 -0.04 0.00 0.33 0.00 0.00 56.93 58.12 3hpf s PHE 19 Cb 0.00 -4.03 0.02 0.00 -1.31 0.00 0.00 43.02 37.69 3hpf s PHE 19 CO 0.00 -3.36 -0.01 0.08 1.83 0.00 0.00 175.22 173.76 3hpf s VAL 20 N -0.27 3.31 -0.02 3.12 1.01 -1.26 0.06 120.40 126.35 3hpf s VAL 20 Ca 0.60 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 3hpf s VAL 20 Cb -0.47 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3hpf s VAL 20 CO 0.51 0.17 0.12 0.20 0.00 0.00 0.00 175.10 176.10 3hpf s ASN 21 N 1.40 5.99 -0.10 3.32 0.01 -1.01 -4.93 114.94 119.61 3hpf s ASN 21 Ca 0.01 0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 52.40 3hpf s ASN 21 Cb -0.17 -1.81 -0.03 0.00 0.41 0.00 0.00 41.25 39.66 3hpf s ASN 21 CO -0.02 0.29 -0.02 -0.54 -1.51 0.00 0.00 177.10 175.30 3hpf s LYS 22 N -1.68 3.16 0.28 -0.60 1.02 -1.26 -1.10 119.74 119.56 3hpf s LYS 22 Ca 0.23 -0.47 0.03 0.00 0.02 0.00 0.00 55.97 55.78 3hpf s LYS 22 Cb -0.12 -2.80 -0.06 0.00 -0.52 0.00 0.00 37.83 34.34 3hpf s LYS 22 CO 0.14 0.55 0.05 -1.01 -0.92 0.00 0.00 175.35 174.16 3hpf s HIS 23 N -0.47 1.73 -0.10 3.18 3.76 -0.16 -1.14 115.29 122.09 3hpf s HIS 23 Ca 0.08 -1.02 -0.00 0.00 -0.15 0.00 0.00 55.06 53.96 3hpf s HIS 23 Cb -0.12 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.53 3hpf s HIS 23 CO 0.02 -0.11 -0.06 0.08 -0.85 0.00 0.00 174.74 173.81 3hpf s VAL 24 N -3.47 0.91 -0.10 -0.90 1.01 -0.67 -0.97 120.40 116.20 3hpf s VAL 24 Ca 0.35 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 3hpf s VAL 24 Cb 0.08 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3hpf s VAL 24 CO 0.13 0.35 0.55 -0.63 0.00 0.00 0.00 175.10 175.49 3hpf s ILE 25 N 1.69 5.14 -0.09 2.22 -1.09 0.11 -0.51 121.20 128.67 3hpf s ILE 25 Ca 0.04 1.10 -0.04 0.00 -2.23 0.00 0.00 60.65 59.52 3hpf s ILE 25 Cb -0.13 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 3hpf s ILE 25 CO -0.07 0.30 0.09 -0.69 -1.23 0.00 0.00 174.94 173.34 3hpf s VAL 26 N 0.70 4.99 -0.08 2.92 1.01 -0.02 -0.36 120.40 129.55 3hpf s VAL 26 Ca 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 3hpf s VAL 26 Cb -0.16 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3hpf s VAL 26 CO 0.13 0.56 -0.05 -0.54 0.00 0.00 0.00 175.10 175.20 3hpf s LYS 27 N -1.12 1.11 -0.22 2.72 1.02 -0.64 -1.02 119.74 121.58 3hpf s LYS 27 Ca 0.16 -0.12 -0.03 0.00 0.02 0.00 0.00 55.97 56.00 3hpf s LYS 27 Cb -0.12 -1.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 3hpf s LYS 27 CO 0.05 -0.22 -0.06 0.42 -0.92 0.00 0.00 175.35 174.62 3hpf s ILE 28 N 1.58 3.15 0.13 2.17 1.01 -0.02 -1.10 121.20 128.11 3hpf s ILE 28 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3hpf s ILE 28 Cb -0.13 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 3hpf s ILE 28 CO -0.05 0.39 0.30 -1.00 0.00 0.00 0.00 174.94 174.58 3hpf s HIS 29 N 1.43 3.49 0.24 3.97 3.76 -0.32 -1.07 115.29 126.79 3hpf s HIS 29 Ca 0.05 0.26 0.05 0.00 -0.15 0.00 0.00 55.06 55.27 3hpf s HIS 29 Cb -0.15 -1.78 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 3hpf s HIS 29 CO -0.05 0.50 -0.06 0.95 -0.85 0.00 0.00 174.74 175.23 3hpf s THR 30 N -1.69 1.38 0.50 1.30 -4.23 -0.98 -0.91 115.64 111.02 3hpf s THR 30 Ca 0.36 -2.10 0.24 0.00 -1.18 0.00 0.00 61.69 59.01 3hpf s THR 30 Cb -0.12 -2.28 0.29 0.00 1.34 0.00 0.00 72.50 71.73 3hpf s THR 30 CO 0.28 -0.41 2.13 -2.24 -0.54 0.00 0.00 174.62 173.85 3hpf h ASP 31 N 2.45 0.00 -0.12 3.99 2.03 -1.51 -1.56 116.42 121.69 3hpf h ASP 31 Ca -0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 3hpf h ASP 31 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3hpf h ASP 31 CO 0.65 0.07 0.00 -0.62 -1.03 0.00 0.00 179.24 178.31 3hpf n GLU 32 N -4.00 1.60 -0.23 4.15 1.02 -1.26 -4.92 120.64 117.01 3hpf n GLU 32 Ca -0.03 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 3hpf n GLU 32 Cb 0.16 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3hpf n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hpf n GLY 33 N 1.08 1.10 3.72 0.62 0.00 -0.59 -5.04 105.19 106.08 3hpf n GLY 33 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3hpf n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hpf s LEU 34 N 0.00 4.41 -0.08 0.99 1.43 -1.26 -4.82 118.68 119.35 3hpf s LEU 34 Ca 0.00 1.63 0.05 0.00 -1.03 0.00 0.00 54.13 54.78 3hpf s LEU 34 Cb 0.00 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 3hpf s LEU 34 CO 0.00 -0.17 -0.24 -0.89 0.23 0.00 0.00 176.35 175.28 3hpf s THR 35 N 0.63 2.14 -0.11 5.49 2.01 -1.26 -2.32 115.64 122.22 3hpf s THR 35 Ca 0.48 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 3hpf s THR 35 Cb -0.21 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 3hpf s THR 35 CO 0.27 0.57 0.09 -0.83 -0.69 0.00 0.00 174.62 174.03 3hpf s GLY 36 N 0.02 2.05 -0.01 4.40 0.00 -0.23 -4.73 107.32 108.82 3hpf s GLY 36 Ca -0.09 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 43.96 3hpf s GLY 36 CO 0.05 -0.45 -0.08 -0.26 0.00 0.00 0.00 173.10 172.36 3hpf s ILE 37 N -0.98 3.54 0.26 0.90 -4.36 -1.26 -0.84 121.20 118.46 3hpf s ILE 37 Ca 0.15 -0.76 -0.00 0.00 -0.26 0.00 0.00 60.65 59.77 3hpf s ILE 37 Cb -0.12 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.08 3hpf s ILE 37 CO 0.04 0.43 0.34 0.61 0.24 0.00 0.00 174.94 176.60 3hpf n GLY 38 N 1.70 2.51 3.06 6.27 0.00 -0.19 -3.91 105.19 114.63 3hpf n GLY 38 Ca -0.16 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 3hpf n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hpf s GLU 39 N -2.68 0.20 -0.67 1.61 2.12 -1.25 -0.84 118.70 117.19 3hpf s GLU 39 Ca 0.23 0.66 -0.17 0.00 0.36 0.00 0.00 54.97 56.05 3hpf s GLU 39 Cb -0.00 -0.06 0.14 0.00 0.26 0.00 0.00 34.13 34.46 3hpf s GLU 39 CO 0.17 -0.22 0.72 -1.64 -0.54 0.00 0.00 175.26 173.76 3hpf s MET 40 N 1.81 3.21 0.17 4.30 -1.94 0.33 -3.45 119.30 123.73 3hpf s MET 40 Ca -0.05 -1.69 -0.30 0.00 -1.71 0.00 0.00 55.69 51.94 3hpf s MET 40 Cb -0.11 -4.38 -0.07 0.00 2.01 0.00 0.00 34.83 32.28 3hpf s MET 40 CO -0.09 -1.47 1.05 -1.12 -0.01 0.00 0.00 175.02 173.37 3hpf s SER 41 N 3.32 7.37 -0.29 3.03 0.01 -1.26 -1.66 113.70 124.21 3hpf s SER 41 Ca 0.13 2.00 -0.25 0.00 1.31 0.00 0.00 55.95 59.15 3hpf s SER 41 Cb -0.20 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.46 3hpf s SER 41 CO 0.01 -0.14 0.42 -0.67 0.41 0.00 0.00 173.24 173.27 3hpf n ASP 42 N 2.37 -5.94 0.01 2.44 4.64 -1.24 -4.88 116.55 113.94 3hpf n ASP 42 Ca 0.02 0.07 0.14 0.00 -1.38 0.00 0.00 54.79 53.64 3hpf n ASP 42 Cb 0.47 -1.71 0.60 0.00 -1.04 0.00 0.00 41.12 39.43 3hpf n ASP 42 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 3hpf n PHE 43 N 0.35 0.07 -0.78 -0.67 3.01 -0.29 -4.48 117.46 114.67 3hpf n PHE 43 Ca -0.05 0.02 -0.19 0.00 1.01 0.00 0.00 57.45 58.24 3hpf n PHE 43 Cb 0.61 -0.53 -0.06 0.00 -0.01 0.00 0.00 39.48 39.50 3hpf n PHE 43 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3hpf n SER 44 N -1.55 4.86 -4.16 4.37 7.64 -1.26 -4.79 113.62 118.73 3hpf n SER 44 Ca 0.07 -2.28 -0.13 0.00 1.01 0.00 0.00 58.87 57.54 3hpf n SER 44 Cb 0.35 -1.09 -0.11 0.00 -1.01 0.00 0.00 64.21 62.35 3hpf n SER 44 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hpf s HIS 45 N 2.55 0.95 0.83 1.43 3.76 -1.26 -5.01 115.29 118.54 3hpf s HIS 45 Ca 0.45 -0.71 -0.12 0.00 -0.15 0.00 0.00 55.06 54.53 3hpf s HIS 45 Cb 0.16 -0.53 0.10 0.00 1.11 0.00 0.00 32.58 33.41 3hpf s HIS 45 CO -0.02 -0.06 1.19 -0.51 -0.85 0.00 0.00 174.74 174.49 3hpf s LEU 46 N -2.51 3.07 0.73 0.89 2.01 -1.26 -4.65 118.68 116.96 3hpf s LEU 46 Ca 0.05 2.33 -0.13 0.00 0.01 0.00 0.00 54.13 56.39 3hpf s LEU 46 Cb -0.01 -4.58 0.04 0.00 0.01 0.00 0.00 46.19 41.64 3hpf s LEU 46 CO -0.01 -2.77 1.12 -2.16 1.01 0.00 0.00 176.35 173.53 3hpf s PRO 47 N -4.26 2.33 -0.85 1.29 0.04 -1.26 -4.74 135.00 127.55 3hpf s PRO 47 Ca 0.72 1.38 -0.08 0.00 0.04 0.00 0.00 61.00 63.06 3hpf s PRO 47 Cb -0.27 -1.89 -0.17 0.00 0.04 0.00 0.00 34.50 32.20 3hpf s PRO 47 CO 0.52 -1.61 3.28 -0.11 0.04 0.00 0.00 177.00 179.12 3hpf n LEU 48 N -3.03 7.09 -4.19 -3.56 7.94 -1.26 -4.82 117.00 115.17 3hpf n LEU 48 Ca 0.10 -3.81 -0.11 0.00 -1.11 0.00 0.00 56.01 51.08 3hpf n LEU 48 Cb 0.52 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.88 3hpf n LEU 48 CO 0.50 1.90 -0.28 -0.72 -1.11 0.00 0.00 177.39 177.68 3hpf s TYR 49 N 1.56 1.05 0.08 1.96 -0.85 -1.26 -5.05 117.35 114.85 3hpf s TYR 49 Ca 0.68 -1.27 0.06 0.00 -0.52 0.00 0.00 57.07 56.03 3hpf s TYR 49 Cb 0.25 -0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.00 3hpf s TYR 49 CO -0.03 -0.53 -0.16 -1.54 -1.52 0.00 0.00 175.55 171.78 3hpf s SER 50 N -3.12 1.89 0.04 -0.18 1.04 -1.26 -4.98 113.70 107.13 3hpf s SER 50 Ca 0.30 -0.65 -0.22 0.00 0.48 0.00 0.00 55.95 55.86 3hpf s SER 50 Cb 0.07 -0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.06 3hpf s SER 50 CO 0.06 -0.05 0.67 -0.69 0.98 0.00 0.00 173.24 174.21 3hpf s VAL 51 N -1.33 4.76 -0.39 5.02 1.01 -1.26 -5.03 120.40 123.18 3hpf s VAL 51 Ca 0.01 1.41 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 3hpf s VAL 51 Cb -0.10 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.29 3hpf s VAL 51 CO 0.03 0.44 1.35 -0.62 0.00 0.00 0.00 175.10 176.30 3hpf s ASP 52 N -0.41 6.45 0.44 3.32 -1.08 -1.26 -4.65 116.67 119.49 3hpf s ASP 52 Ca 0.34 0.88 0.24 0.00 -0.52 0.00 0.00 52.55 53.48 3hpf s ASP 52 Cb -0.20 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.64 3hpf s ASP 52 CO 0.20 -1.33 1.82 -0.07 0.52 0.00 0.00 175.17 176.32 3hpf h LEU 53 N 11.76 0.00 -0.20 -1.34 3.38 -1.97 -0.70 115.31 126.24 3hpf h LEU 53 Ca -0.27 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 3hpf h LEU 53 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hpf h LEU 53 CO 1.08 0.23 -0.46 0.45 0.09 0.00 0.00 178.44 179.82 3hpf h HIS 54 N 0.00 0.85 -0.19 1.13 3.86 -1.99 -1.27 115.15 117.54 3hpf h HIS 54 Ca -0.00 -0.32 -0.04 0.00 -1.16 0.00 0.00 60.37 58.84 3hpf h HIS 54 Cb 0.75 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3hpf h HIS 54 CO 0.00 1.10 -0.04 0.22 0.86 0.00 0.00 177.93 180.07 3hpf h ASP 55 N 0.36 0.37 -0.75 2.45 3.58 -1.95 -3.03 116.42 117.47 3hpf h ASP 55 Ca -0.00 -0.36 0.06 0.00 0.42 0.00 0.00 57.03 57.14 3hpf h ASP 55 Cb 1.07 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.97 3hpf h ASP 55 CO 0.10 0.65 0.44 0.25 -2.88 0.00 0.00 179.24 177.80 3hpf h LEU 56 N 0.09 0.69 -0.89 2.28 5.85 -1.09 -1.44 115.31 120.80 3hpf h LEU 56 Ca 0.05 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3hpf h LEU 56 Cb 0.48 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3hpf h LEU 56 CO 0.02 0.45 0.59 0.50 -0.34 0.00 0.00 178.44 179.65 3hpf h LYS 57 N 0.82 1.13 -0.41 1.25 3.64 -1.20 0.81 116.57 122.62 3hpf h LYS 57 Ca 0.32 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3hpf h LYS 57 Cb 0.15 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3hpf h LYS 57 CO -0.17 0.75 0.11 1.96 -2.27 0.00 0.00 179.45 179.84 3hpf h GLN 58 N 1.17 0.64 -0.51 1.90 1.08 -1.23 -0.29 115.11 117.87 3hpf h GLN 58 Ca 0.34 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 57.34 3hpf h GLN 58 Cb -0.07 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 3hpf h GLN 58 CO -0.09 0.65 0.09 0.78 -0.95 0.00 0.00 178.83 179.30 3hpf h GLY 59 N 0.52 0.91 0.99 3.46 0.00 -0.86 -1.74 103.07 106.35 3hpf h GLY 59 Ca 0.13 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 3hpf h GLY 59 CO -0.00 0.56 -0.09 1.41 0.00 0.00 0.00 176.54 178.42 3hpf h LEU 60 N 0.73 0.79 -1.04 3.11 3.38 -0.75 -2.91 115.31 118.62 3hpf h LEU 60 Ca 0.16 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3hpf h LEU 60 Cb 0.39 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3hpf h LEU 60 CO 0.01 0.97 0.35 -0.07 0.09 0.00 0.00 178.44 179.79 3hpf h LEU 61 N 0.60 0.93 -1.31 1.67 3.38 -0.98 -0.12 115.31 119.48 3hpf h LEU 61 Ca 0.10 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3hpf h LEU 61 Cb 0.62 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3hpf h LEU 61 CO 0.04 0.79 0.55 -1.28 0.09 0.00 0.00 178.44 178.63 3hpf h SER 62 N 1.03 0.67 0.10 -0.43 0.87 -1.13 0.47 113.55 115.12 3hpf h SER 62 Ca 0.25 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.69 3hpf h SER 62 Cb 0.10 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3hpf h SER 62 CO -0.03 0.37 -0.63 0.40 -0.53 0.00 0.00 176.83 176.41 3hpf h ILE 63 N 0.72 1.55 0.05 2.23 2.04 -1.18 -3.39 117.51 119.54 3hpf h ILE 63 Ca 0.41 -2.42 -0.25 0.00 1.00 0.00 0.00 64.86 63.59 3hpf h ILE 63 Cb 0.57 3.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.77 3hpf h ILE 63 CO -0.17 0.68 -1.21 -0.07 0.00 0.00 0.00 178.15 177.37 3hpf h LEU 64 N -0.44 0.18 -9.24 1.44 3.38 -0.55 -3.46 115.31 106.62 3hpf h LEU 64 Ca -0.11 -0.21 -0.69 0.00 0.09 0.00 0.00 57.88 56.97 3hpf h LEU 64 Cb 1.47 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 42.19 3hpf h LEU 64 CO 0.12 1.17 0.75 -0.11 0.09 0.00 0.00 178.44 180.45 3hpf n LEU 65 N -3.39 2.28 0.00 1.67 7.94 0.16 -1.62 117.00 124.04 3hpf n LEU 65 Ca -0.06 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.92 3hpf n LEU 65 Cb 0.99 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.73 3hpf n LEU 65 CO 0.49 -0.61 0.00 0.61 -1.11 0.00 0.00 177.39 176.77 3hpf n GLY 66 N 3.52 1.87 3.86 -3.96 0.00 0.96 -4.94 105.19 106.50 3hpf n GLY 66 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 3hpf n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hpf s GLN 67 N -0.12 3.75 -0.32 1.61 -0.21 -0.64 -4.53 119.66 119.19 3hpf s GLN 67 Ca 0.00 0.81 -0.21 0.00 0.02 0.00 0.00 55.36 55.98 3hpf s GLN 67 Cb 0.00 -2.12 -0.00 0.00 1.00 0.00 0.00 33.01 31.89 3hpf s GLN 67 CO 0.00 -0.42 0.68 1.21 -2.12 0.00 0.00 175.29 174.64 3hpf s ASN 68 N -3.69 6.52 0.60 5.90 3.04 -1.26 -0.83 114.94 125.22 3hpf s ASN 68 Ca 0.56 0.41 0.33 0.00 0.04 0.00 0.00 52.86 54.21 3hpf s ASN 68 Cb -0.10 -2.35 1.82 0.00 -1.54 0.00 0.00 41.25 39.08 3hpf s ASN 68 CO 0.44 -0.56 2.02 1.55 -3.04 0.00 0.00 177.10 177.51 3hpf h PRO 69 N 8.26 0.00 0.00 0.43 0.13 -1.96 -0.68 132.00 138.18 3hpf h PRO 69 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3hpf h PRO 69 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hpf h PRO 69 CO 0.84 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.80 3hpf n PHE 70 N -2.81 0.23 -1.64 1.56 3.72 -1.26 -3.97 117.46 113.27 3hpf n PHE 70 Ca -0.02 0.07 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 3hpf n PHE 70 Cb 0.21 -0.62 -0.02 0.00 -0.94 0.00 0.00 39.48 38.11 3hpf n PHE 70 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hpf n ASP 71 N -1.69 8.21 -0.33 4.37 8.00 -0.26 -4.70 116.55 130.14 3hpf n ASP 71 Ca 0.06 -2.84 -0.02 0.00 0.71 0.00 0.00 54.79 52.70 3hpf n ASP 71 Cb 0.31 -1.48 0.11 0.00 -0.02 0.00 0.00 41.12 40.04 3hpf n ASP 71 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hpf h LEU 72 N 6.51 0.99 -0.19 0.64 3.38 -1.84 -0.66 115.31 124.15 3hpf h LEU 72 Ca 0.78 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.71 3hpf h LEU 72 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hpf h LEU 72 CO 1.66 0.69 0.01 0.24 0.09 0.00 0.00 178.44 181.13 3hpf h MET 73 N 1.16 0.32 -0.02 1.13 2.86 -1.95 -0.44 114.93 117.99 3hpf h MET 73 Ca 0.35 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3hpf h MET 73 Cb -0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 3hpf h MET 73 CO -0.10 0.51 0.01 -0.22 1.06 0.00 0.00 176.91 178.16 3hpf h LYS 74 N 0.09 0.02 -0.69 1.72 3.64 -1.91 -1.48 116.57 117.95 3hpf h LYS 74 Ca 0.05 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3hpf h LYS 74 Cb 0.35 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3hpf h LYS 74 CO 0.01 0.05 0.26 0.82 -2.27 0.00 0.00 179.45 178.32 3hpf h ILE 75 N -0.01 1.25 -0.03 2.00 2.04 -1.11 -1.97 117.51 119.68 3hpf h ILE 75 Ca 0.01 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 3hpf h ILE 75 Cb 0.03 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3hpf h ILE 75 CO -0.00 0.32 -0.32 0.78 0.00 0.00 0.00 178.15 178.92 3hpf h ASN 76 N 0.99 0.05 -0.29 1.72 2.35 -0.94 0.56 115.58 120.03 3hpf h ASN 76 Ca 0.23 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 3hpf h ASN 76 Cb 0.23 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3hpf h ASN 76 CO -0.02 0.38 -0.09 0.50 -1.65 0.00 0.00 177.43 176.55 3hpf h LYS 77 N 0.05 0.57 -0.13 0.81 1.63 -0.86 -0.51 116.57 118.13 3hpf h LYS 77 Ca 0.00 -0.23 -0.09 0.00 -0.85 0.00 0.00 60.65 59.48 3hpf h LYS 77 Cb 0.60 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 3hpf h LYS 77 CO 0.04 0.78 -0.33 0.93 -3.45 0.00 0.00 179.45 177.43 3hpf h GLU 78 N 0.32 0.25 -0.18 1.90 5.08 -0.93 0.41 114.58 121.43 3hpf h GLU 78 Ca 0.07 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3hpf h GLU 78 Cb 0.59 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3hpf h GLU 78 CO 0.03 0.56 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.48 3hpf h LEU 79 N 0.22 0.35 -1.29 1.33 3.38 -0.71 -2.68 115.31 115.90 3hpf h LEU 79 Ca 0.03 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 3hpf h LEU 79 Cb 0.70 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3hpf h LEU 79 CO 0.05 0.65 -0.18 0.74 0.09 0.00 0.00 178.44 179.79 3hpf h THR 80 N 0.05 1.21 -0.64 0.22 2.02 -0.82 0.15 112.91 115.09 3hpf h THR 80 Ca 0.04 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 3hpf h THR 80 Cb 0.50 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 3hpf h THR 80 CO 0.02 0.29 0.21 0.44 0.37 0.00 0.00 175.52 176.85 3hpf h ASP 81 N 0.24 0.90 0.73 4.18 3.32 -0.79 -2.22 116.42 122.78 3hpf h ASP 81 Ca 0.05 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 3hpf h ASP 81 Cb 0.46 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3hpf h ASP 81 CO 0.03 0.83 -1.34 0.59 -1.72 0.00 0.00 179.24 177.63 3hpf n ASN 82 N -4.28 0.77 -3.38 6.45 4.13 -0.95 -4.50 115.26 113.51 3hpf n ASN 82 Ca 0.05 0.32 -0.26 0.00 1.68 0.00 0.00 54.58 56.38 3hpf n ASN 82 Cb 0.20 0.41 -0.08 0.00 -1.54 0.00 0.00 39.78 38.77 3hpf n ASN 82 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3hpf n PHE 83 N -2.77 1.21 -1.13 3.10 3.72 0.47 -5.11 117.46 116.95 3hpf n PHE 83 Ca -0.07 -3.79 -0.33 0.00 -0.05 0.00 0.00 57.45 53.21 3hpf n PHE 83 Cb 0.73 -0.34 0.12 0.00 -0.94 0.00 0.00 39.48 39.05 3hpf n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3hpf s PRO 84 N -1.41 1.73 0.29 -1.08 0.04 -0.84 -4.48 135.00 129.25 3hpf s PRO 84 Ca 0.35 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 3hpf s PRO 84 Cb 0.12 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.76 3hpf s PRO 84 CO -0.10 -2.11 1.16 -1.21 0.04 0.00 0.00 177.00 174.78 3hpf s GLU 85 N -4.31 4.56 0.00 4.56 2.02 -1.26 -4.89 118.70 119.38 3hpf s GLU 85 Ca 0.70 1.92 0.04 0.00 0.02 0.00 0.00 54.97 57.65 3hpf s GLU 85 Cb -0.25 -3.16 0.07 0.00 0.10 0.00 0.00 34.13 30.89 3hpf s GLU 85 CO 0.51 0.09 0.84 0.25 0.02 0.00 0.00 175.26 176.97 3hpf n THR 86 N 1.16 0.43 -1.45 3.63 -2.24 -1.26 -4.97 114.28 109.58 3hpf n THR 86 Ca -0.01 -0.71 -0.11 0.00 -2.27 0.00 0.00 64.05 60.96 3hpf n THR 86 Cb 0.44 0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 3hpf n THR 86 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3hpf n MET 87 N 0.10 -0.75 -4.88 -0.78 1.56 -1.26 -4.99 117.12 106.11 3hpf n MET 87 Ca 0.03 0.82 -0.30 0.00 -0.27 0.00 0.00 57.70 57.98 3hpf n MET 87 Cb 0.20 -4.79 -0.17 0.00 2.15 0.00 0.00 33.22 30.61 3hpf n MET 87 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 3hpf s TYR 88 N -2.42 2.29 0.19 1.12 5.04 -1.26 -4.91 117.35 117.40 3hpf s TYR 88 Ca 0.00 -1.00 -0.22 0.00 -2.44 0.00 0.00 57.07 53.41 3hpf s TYR 88 Cb 0.00 -1.57 0.11 0.00 0.35 0.00 0.00 41.96 40.85 3hpf s TYR 88 CO 0.00 -0.44 1.57 -0.92 -1.34 0.00 0.00 175.55 174.42 3hpf h TYR 89 N 6.99 -1.16 -0.99 4.97 5.03 -1.94 -2.82 116.97 127.05 3hpf h TYR 89 Ca -0.26 0.09 -0.67 0.00 2.58 0.00 0.00 58.73 60.48 3hpf h TYR 89 Cb 1.21 0.61 -0.30 0.00 1.55 0.00 0.00 36.73 39.80 3hpf h TYR 89 CO 0.47 -0.40 0.70 1.19 -1.32 0.00 0.00 178.16 178.80 3hpf n PHE 90 N -5.42 3.19 -1.84 -3.82 0.99 -1.26 -4.85 117.46 104.44 3hpf n PHE 90 Ca 0.05 -2.95 -0.42 0.00 -0.00 0.00 0.00 57.45 54.13 3hpf n PHE 90 Cb 0.36 -1.34 -0.03 0.00 -1.00 0.00 0.00 39.48 37.47 3hpf n PHE 90 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3hpf s GLU 91 N -3.81 4.14 0.58 -1.08 2.56 -1.07 -4.68 118.70 115.35 3hpf s GLU 91 Ca 0.63 2.39 0.33 0.00 0.00 0.00 0.00 54.97 58.32 3hpf s GLU 91 Cb 0.50 -4.08 1.80 0.00 2.00 0.00 0.00 34.13 34.35 3hpf s GLU 91 CO -0.01 -0.93 2.19 0.87 -0.56 0.00 0.00 175.26 176.83 3hpf h LYS 92 N 10.16 0.00 0.00 4.30 1.57 -1.93 -0.74 116.57 129.93 3hpf h LYS 92 Ca -0.44 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.29 3hpf h LYS 92 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3hpf h LYS 92 CO 0.95 0.04 -0.22 0.78 -0.57 0.00 0.00 179.45 180.43 3hpf h GLY 93 N 0.50 0.00 1.19 3.86 0.00 -1.92 -1.31 103.07 105.39 3hpf h GLY 93 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3hpf h GLY 93 CO 0.01 0.00 -0.42 1.76 0.00 0.00 0.00 176.54 177.89 3hpf h SER 94 N 0.00 0.95 -0.45 0.19 0.02 -1.42 -1.18 113.55 111.67 3hpf h SER 94 Ca -0.00 -0.45 -0.09 0.00 -0.84 0.00 0.00 61.79 60.41 3hpf h SER 94 Cb 0.41 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3hpf h SER 94 CO 0.03 1.24 -0.04 -0.26 -1.14 0.00 0.00 176.83 176.65 3hpf h PHE 95 N 0.71 0.96 0.21 3.45 0.04 -1.40 -1.07 116.94 119.84 3hpf h PHE 95 Ca 0.05 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 3hpf h PHE 95 Cb 1.01 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.91 3hpf h PHE 95 CO 0.06 0.89 -0.10 0.82 -0.60 0.00 0.00 178.31 179.38 3hpf h ILE 96 N 0.81 0.87 -0.71 -0.55 2.04 -1.08 -2.38 117.51 116.50 3hpf h ILE 96 Ca 0.14 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3hpf h ILE 96 Cb 0.54 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3hpf h ILE 96 CO 0.03 0.10 0.47 0.03 0.00 0.00 0.00 178.15 178.78 3hpf h ARG 97 N -0.51 0.91 -0.35 2.37 3.08 -1.14 -2.45 114.38 116.29 3hpf h ARG 97 Ca -0.03 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3hpf h ARG 97 Cb 0.38 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3hpf h ARG 97 CO 0.05 0.60 0.19 -0.97 -1.07 0.00 0.00 179.97 178.77 3hpf h ASN 98 N 0.93 0.31 -0.69 7.04 -1.24 -0.94 0.50 115.58 121.49 3hpf h ASN 98 Ca 0.26 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.25 3hpf h ASN 98 Cb -0.07 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 3hpf h ASN 98 CO -0.06 0.23 0.31 1.23 -1.29 0.00 0.00 177.43 177.85 3hpf h GLY 99 N 0.40 1.11 0.66 1.57 0.00 -0.97 0.25 103.07 106.09 3hpf h GLY 99 Ca 0.14 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 3hpf h GLY 99 CO -0.07 0.53 -0.17 -2.22 0.00 0.00 0.00 176.54 174.61 3hpf h ILE 100 N 1.02 1.39 -0.58 2.60 1.08 -1.17 -2.64 117.51 119.22 3hpf h ILE 100 Ca 0.24 -1.44 -0.07 0.00 -0.39 0.00 0.00 64.86 63.20 3hpf h ILE 100 Cb 0.15 2.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 3hpf h ILE 100 CO -0.03 0.41 0.08 -0.78 -0.69 0.00 0.00 178.15 177.15 3hpf h ASP 101 N -0.17 0.89 0.94 1.72 3.58 -0.71 -0.67 116.42 122.00 3hpf h ASP 101 Ca 0.01 -0.20 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 3hpf h ASP 101 Cb 0.75 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 3hpf h ASP 101 CO 0.04 0.91 -0.45 -0.55 -2.88 0.00 0.00 179.24 176.30 3hpf h ASN 102 N 0.88 0.00 -0.10 2.28 -0.00 -1.02 -2.09 115.58 115.54 3hpf h ASN 102 Ca 0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.33 3hpf h ASN 102 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.72 3hpf h ASN 102 CO 0.01 0.45 -0.46 0.00 -0.00 0.00 0.00 177.43 177.43 3hpf h ALA 103 N 1.55 0.72 -0.33 4.14 0.00 -1.07 -1.79 119.26 122.48 3hpf h ALA 103 Ca -0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3hpf h ALA 103 Cb 1.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3hpf h ALA 103 CO 0.06 0.67 -0.12 -0.07 0.00 0.00 0.00 179.25 179.79 3hpf h LEU 104 N 0.52 0.54 -0.37 0.00 3.38 -0.84 -0.02 115.31 118.53 3hpf h LEU 104 Ca 0.03 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3hpf h LEU 104 Cb 1.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3hpf h LEU 104 CO 0.09 0.70 -0.04 0.45 0.09 0.00 0.00 178.44 179.73 3hpf h HIS 105 N 0.52 0.75 -0.40 1.13 3.86 -1.10 -0.39 115.15 119.51 3hpf h HIS 105 Ca 0.09 -0.14 0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3hpf h HIS 105 Cb 0.51 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 3hpf h HIS 105 CO 0.02 0.80 0.24 0.22 0.86 0.00 0.00 177.93 180.06 3hpf h ASP 106 N 0.48 0.39 0.28 2.45 3.58 -0.93 -1.20 116.42 121.47 3hpf h ASP 106 Ca 0.10 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3hpf h ASP 106 Cb 0.52 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3hpf h ASP 106 CO 0.03 0.28 -0.13 0.25 -2.88 0.00 0.00 179.24 176.78 3hpf h LEU 107 N 0.49 -0.32 -0.50 2.28 6.46 -0.82 -1.28 115.31 121.62 3hpf h LEU 107 Ca 0.16 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 3hpf h LEU 107 Cb 0.00 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 3hpf h LEU 107 CO -0.07 -0.21 0.33 0.00 -0.62 0.00 0.00 178.44 177.87 3hpf h ALA 109 N 1.19 0.75 -0.73 0.00 0.00 -1.16 -2.29 119.26 117.03 3hpf h ALA 109 Ca 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hpf h ALA 109 Cb -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3hpf h ALA 109 CO -0.05 0.30 0.31 0.87 0.00 0.00 0.00 179.25 180.68 3hpf h LYS 110 N 0.79 1.08 -0.76 0.00 1.57 -0.99 -0.53 116.57 117.73 3hpf h LYS 110 Ca 0.20 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3hpf h LYS 110 Cb 0.10 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3hpf h LYS 110 CO -0.03 0.87 0.50 -0.92 -0.57 0.00 0.00 179.45 179.30 3hpf h TYR 111 N 1.04 0.93 -0.01 -1.35 3.20 -0.88 -1.90 116.97 117.99 3hpf h TYR 111 Ca 0.25 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3hpf h TYR 111 Cb 0.18 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.14 3hpf h TYR 111 CO 0.01 0.57 -0.08 1.28 -1.64 0.00 0.00 178.16 178.31 3hpf n LEU 112 N -4.43 1.50 -3.29 2.82 4.77 -0.90 -4.96 117.00 112.52 3hpf n LEU 112 Ca 0.09 -0.48 -0.16 0.00 -0.03 0.00 0.00 56.01 55.43 3hpf n LEU 112 Cb 0.06 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.20 3hpf n LEU 112 CO 0.36 0.26 0.10 -0.67 -1.33 0.00 0.00 177.39 176.11 3hpf n ASP 113 N 0.04 -2.25 -4.00 -1.43 4.64 -0.33 -5.03 116.55 108.19 3hpf n ASP 113 Ca 0.17 -0.59 -0.09 0.00 -1.38 0.00 0.00 54.79 52.90 3hpf n ASP 113 Cb 0.38 -4.88 -0.08 0.00 -1.04 0.00 0.00 41.12 35.49 3hpf n ASP 113 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3hpf s ILE 114 N -3.34 0.13 0.54 5.18 -4.36 -0.49 -4.83 121.20 114.04 3hpf s ILE 114 Ca 0.02 -1.55 -0.17 0.00 -0.26 0.00 0.00 60.65 58.69 3hpf s ILE 114 Cb -0.00 -1.68 -0.06 0.00 1.25 0.00 0.00 42.46 41.96 3hpf s ILE 114 CO 0.69 -0.59 1.03 -0.55 0.24 0.00 0.00 174.94 175.77 3hpf s SER 115 N -2.95 6.18 0.59 4.36 0.15 -1.26 -0.86 113.70 119.91 3hpf s SER 115 Ca 0.13 1.79 0.29 0.00 0.70 0.00 0.00 55.95 58.86 3hpf s SER 115 Cb 0.06 -2.54 1.80 0.00 -1.71 0.00 0.00 66.02 63.63 3hpf s SER 115 CO -0.05 -0.89 2.24 0.58 1.20 0.00 0.00 173.24 176.32 3hpf h VAL 116 N 0.92 0.54 -0.66 4.45 2.07 -1.45 -1.56 116.25 120.56 3hpf h VAL 116 Ca -0.48 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3hpf h VAL 116 Cb 1.21 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3hpf h VAL 116 CO 0.59 0.00 0.37 -1.28 0.02 0.00 0.00 177.57 177.27 3hpf h SER 117 N 0.00 0.54 0.54 0.57 0.87 -1.90 -0.42 113.55 113.75 3hpf h SER 117 Ca 0.01 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3hpf h SER 117 Cb 0.04 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3hpf h SER 117 CO -0.00 0.35 0.00 0.47 -0.53 0.00 0.00 176.83 177.12 3hpf n ASP 118 N -4.79 0.00 0.02 6.23 8.00 -0.59 -1.35 116.55 124.07 3hpf n ASP 118 Ca 0.08 0.11 0.11 0.00 0.71 0.00 0.00 54.79 55.80 3hpf n ASP 118 Cb 0.17 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.91 3hpf n ASP 118 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3hpf n PHE 119 N -1.35 0.22 -0.13 1.24 -0.00 -0.23 -4.23 117.46 112.98 3hpf n PHE 119 Ca 0.09 0.06 0.08 0.00 -0.00 0.00 0.00 57.45 57.69 3hpf n PHE 119 Cb 0.21 -0.40 0.20 0.00 -0.00 0.00 0.00 39.48 39.49 3hpf n PHE 119 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3hpf n LEU 120 N -1.96 3.23 0.00 -2.13 4.77 -0.82 -4.94 117.00 115.16 3hpf n LEU 120 Ca 0.01 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 3hpf n LEU 120 Cb 0.44 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3hpf n LEU 120 CO 0.41 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 3hpf n GLY 121 N 1.00 1.13 5.96 -0.72 0.00 -1.19 -4.95 105.19 106.42 3hpf n GLY 121 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hpf n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hpf n GLY 122 N -0.85 -1.60 3.55 -0.02 0.00 -0.46 -4.93 105.19 100.88 3hpf n GLY 122 Ca 0.00 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 3hpf n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hpf s ARG 123 N 0.00 2.53 -0.01 1.61 1.81 -1.26 -4.01 118.95 119.61 3hpf s ARG 123 Ca 0.00 -0.71 0.04 0.00 -1.72 0.00 0.00 55.73 53.35 3hpf s ARG 123 Cb 0.00 -2.45 -0.06 0.00 -0.45 0.00 0.00 34.95 31.98 3hpf s ARG 123 CO 0.00 0.61 0.08 0.28 -0.68 0.00 0.00 175.30 175.59 3hpf n VAL 124 N 1.90 0.05 -3.73 3.52 0.31 0.12 -4.96 118.33 115.54 3hpf n VAL 124 Ca -0.17 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 63.96 3hpf n VAL 124 Cb 0.52 0.16 -0.03 0.00 -0.91 0.00 0.00 33.84 33.58 3hpf n VAL 124 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3hpf s LYS 125 N -2.26 1.43 -0.00 5.55 -2.85 -1.11 -5.06 119.74 115.44 3hpf s LYS 125 Ca -0.02 -0.85 0.16 0.00 -1.00 0.00 0.00 55.97 54.27 3hpf s LYS 125 Cb 0.02 0.54 -0.19 0.00 -2.06 0.00 0.00 37.83 36.14 3hpf s LYS 125 CO 0.17 -0.62 0.64 0.39 0.10 0.00 0.00 175.35 176.04 3hpf n GLU 126 N -0.36 1.37 -3.70 1.78 -0.58 -1.26 -4.76 120.64 113.12 3hpf n GLU 126 Ca -0.10 -0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.52 3hpf n GLU 126 Cb 0.62 -1.30 -0.05 0.00 -0.57 0.00 0.00 31.44 30.14 3hpf n GLU 126 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 3hpf s LYS 127 N -2.67 1.09 -0.02 3.49 -2.85 -1.26 -2.38 119.74 115.14 3hpf s LYS 127 Ca 0.04 -0.79 0.02 0.00 -1.00 0.00 0.00 55.97 54.24 3hpf s LYS 127 Cb 0.12 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 3hpf s LYS 127 CO 0.68 -0.42 -0.09 0.96 0.10 0.00 0.00 175.35 176.59 3hpf s ILE 128 N -3.83 0.74 0.18 3.79 -4.36 -0.17 -4.94 121.20 112.60 3hpf s ILE 128 Ca 0.05 -0.35 -0.30 0.00 -0.26 0.00 0.00 60.65 59.78 3hpf s ILE 128 Cb 0.02 -0.65 -0.08 0.00 1.25 0.00 0.00 42.46 42.99 3hpf s ILE 128 CO -0.10 0.23 1.32 -0.75 0.24 0.00 0.00 174.94 175.88 3hpf s LYS 129 N 0.10 4.38 0.42 0.37 2.47 -1.26 -0.66 119.74 125.56 3hpf s LYS 129 Ca -0.02 2.04 0.03 0.00 -1.56 0.00 0.00 55.97 56.47 3hpf s LYS 129 Cb -0.07 -3.21 -0.03 0.00 -1.46 0.00 0.00 37.83 33.05 3hpf s LYS 129 CO 0.00 -0.28 0.08 0.14 0.16 0.00 0.00 175.35 175.45 3hpf s VAL 130 N 0.34 0.88 0.07 4.02 -7.23 -0.27 -0.60 120.40 117.61 3hpf s VAL 130 Ca 0.58 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 3hpf s VAL 130 Cb -0.36 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 3hpf s VAL 130 CO 0.36 0.00 -0.08 0.00 -0.31 0.00 0.00 175.10 175.07 3hpf s TYR 132 N -2.21 3.59 0.06 0.00 6.14 -0.65 -4.71 117.35 119.56 3hpf s TYR 132 Ca -0.00 0.87 -0.30 0.00 0.64 0.00 0.00 57.07 58.28 3hpf s TYR 132 Cb -0.04 -2.40 -0.05 0.00 0.42 0.00 0.00 41.96 39.89 3hpf s TYR 132 CO -0.01 0.38 1.00 -1.25 0.64 0.00 0.00 175.55 176.31 3hpf s PRO 133 N -0.11 4.60 -0.19 4.97 0.04 -1.26 -1.92 135.00 141.14 3hpf s PRO 133 Ca 0.23 1.48 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 3hpf s PRO 133 Cb -0.15 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 3hpf s PRO 133 CO 0.10 0.04 0.02 0.42 0.04 0.00 0.00 177.00 177.62 3hpf s ILE 134 N 0.56 4.21 0.42 0.56 1.01 -0.27 -4.94 121.20 122.75 3hpf s ILE 134 Ca 0.50 -0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.69 3hpf s ILE 134 Cb -0.23 -2.89 -0.11 0.00 0.01 0.00 0.00 42.46 39.24 3hpf s ILE 134 CO 0.29 0.44 0.90 0.49 0.00 0.00 0.00 174.94 177.06 3hpf n PHE 135 N 3.94 0.77 -2.02 3.97 0.99 -1.26 -2.63 117.46 121.22 3hpf n PHE 135 Ca -0.17 0.57 -0.41 0.00 -0.00 0.00 0.00 57.45 57.44 3hpf n PHE 135 Cb 0.52 -2.17 -0.02 0.00 -1.00 0.00 0.00 39.48 36.81 3hpf n PHE 135 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 3hpf s ARG 136 N -1.92 4.28 -0.21 -1.08 3.52 -1.26 -4.63 118.95 117.65 3hpf s ARG 136 Ca 0.64 2.29 -0.22 0.00 -0.13 0.00 0.00 55.73 58.31 3hpf s ARG 136 Cb -0.57 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 3hpf s ARG 136 CO 0.57 -0.39 0.71 -1.01 -0.81 0.00 0.00 175.30 174.37 3hpf s HIS 137 N -0.20 3.36 -0.06 5.12 3.76 -1.26 -4.90 115.29 121.11 3hpf s HIS 137 Ca 0.58 1.02 0.20 0.00 -0.15 0.00 0.00 55.06 56.71 3hpf s HIS 137 Cb -0.42 -2.90 -0.30 0.00 1.11 0.00 0.00 32.58 30.08 3hpf s HIS 137 CO 0.45 -0.25 0.36 0.54 -0.85 0.00 0.00 174.74 174.99 3hpf n ARG 138 N 5.36 0.68 -3.94 1.40 1.74 -1.26 -3.41 116.66 117.23 3hpf n ARG 138 Ca 0.01 -0.15 -0.10 0.00 -0.77 0.00 0.00 57.85 56.85 3hpf n ARG 138 Cb 0.49 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.34 3hpf n ARG 138 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hpf s PHE 139 N -3.19 0.18 0.43 -1.55 0.40 -1.26 -4.77 117.98 108.21 3hpf s PHE 139 Ca -0.08 -0.38 0.39 0.00 -0.60 0.00 0.00 56.93 56.26 3hpf s PHE 139 Cb 0.11 -0.14 1.92 0.00 0.51 0.00 0.00 43.02 45.43 3hpf s PHE 139 CO 0.83 -0.21 2.19 0.77 0.70 0.00 0.00 175.22 179.50 3hpf h SER 140 N 4.61 0.00 0.53 1.36 0.02 -1.93 -2.16 113.55 115.97 3hpf h SER 140 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3hpf h SER 140 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3hpf h SER 140 CO 0.41 0.01 0.00 -0.62 -1.14 0.00 0.00 176.83 175.50 3hpf n GLU 141 N -3.16 0.02 0.06 3.45 4.71 -1.26 -2.42 120.64 122.04 3hpf n GLU 141 Ca -0.02 0.22 0.12 0.00 -0.01 0.00 0.00 57.16 57.47 3hpf n GLU 141 Cb 0.18 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.24 3hpf n GLU 141 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3hpf h GLU 142 N 0.00 0.00 -0.50 3.49 5.08 -1.82 -3.39 114.58 117.44 3hpf h GLU 142 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3hpf h GLU 142 Cb 0.26 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 3hpf h GLU 142 CO 0.00 0.00 -0.06 0.28 -1.00 0.00 0.00 179.01 178.23 3hpf h VAL 143 N 0.00 0.55 -0.20 3.13 2.07 -1.65 -2.34 116.25 117.81 3hpf h VAL 143 Ca 0.00 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3hpf h VAL 143 Cb 0.75 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 3hpf h VAL 143 CO 0.00 0.01 -0.12 -0.33 0.02 0.00 0.00 177.57 177.15 3hpf h GLU 144 N 0.06 -0.10 -0.72 1.57 4.39 -1.81 -1.07 114.58 116.90 3hpf h GLU 144 Ca 0.25 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 3hpf h GLU 144 Cb 0.38 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3hpf h GLU 144 CO -0.47 -0.07 0.43 0.66 -1.16 0.00 0.00 179.01 178.40 3hpf h SER 145 N -0.11 0.86 0.73 1.42 4.64 -1.75 -1.68 113.55 117.67 3hpf h SER 145 Ca 0.11 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 3hpf h SER 145 Cb 0.28 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3hpf h SER 145 CO -0.27 0.66 -0.38 0.78 -0.87 0.00 0.00 176.83 176.75 3hpf h ASN 146 N 0.99 0.00 0.11 4.97 -0.26 -0.92 -2.03 115.58 118.44 3hpf h ASN 146 Ca 0.26 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.84 3hpf h ASN 146 Cb -0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 3hpf h ASN 146 CO -0.05 0.38 -0.58 -0.07 -1.06 0.00 0.00 177.43 176.05 3hpf h LEU 147 N 0.00 0.54 -1.13 1.61 3.38 -0.32 -2.15 115.31 117.24 3hpf h LEU 147 Ca -0.00 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 3hpf h LEU 147 Cb 0.85 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3hpf h LEU 147 CO 0.05 1.00 -0.28 0.44 0.09 0.00 0.00 178.44 179.75 3hpf h ASP 148 N 0.37 0.26 -0.29 -0.43 3.32 -0.95 -0.58 116.42 118.11 3hpf h ASP 148 Ca 0.00 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 3hpf h ASP 148 Cb 1.12 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3hpf h ASP 148 CO 0.10 0.54 0.03 0.58 -1.72 0.00 0.00 179.24 178.77 3hpf h VAL 149 N 0.23 1.24 -0.56 -1.35 2.07 -1.04 -0.05 116.25 116.79 3hpf h VAL 149 Ca 0.03 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3hpf h VAL 149 Cb 0.62 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3hpf h VAL 149 CO 0.04 0.27 0.28 0.58 0.02 0.00 0.00 177.57 178.76 3hpf h VAL 150 N 0.30 1.20 -0.50 2.57 2.07 -1.00 0.34 116.25 121.22 3hpf h VAL 150 Ca 0.09 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3hpf h VAL 150 Cb 0.37 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3hpf h VAL 150 CO 0.01 0.23 0.28 -0.09 0.02 0.00 0.00 177.57 178.02 3hpf h ARG 151 N 0.76 0.70 -0.19 1.57 2.43 -0.94 -0.52 114.38 118.20 3hpf h ARG 151 Ca 0.19 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3hpf h ARG 151 Cb 0.11 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3hpf h ARG 151 CO -0.03 0.54 -0.08 0.37 -1.51 0.00 0.00 179.97 179.27 3hpf h GLN 152 N 0.67 0.39 -0.21 0.20 5.75 -0.72 -2.85 115.11 118.35 3hpf h GLN 152 Ca 0.18 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 3hpf h GLN 152 Cb 0.04 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3hpf h GLN 152 CO -0.03 0.68 -0.31 0.87 -2.65 0.00 0.00 178.83 177.39 3hpf h LYS 153 N 0.09 0.42 -0.80 1.69 1.79 -0.87 -2.27 116.57 116.63 3hpf h LYS 153 Ca 0.04 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.30 3hpf h LYS 153 Cb 0.56 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 3hpf h LYS 153 CO 0.03 0.69 0.36 1.25 -1.08 0.00 0.00 179.45 180.70 3hpf h LEU 154 N 0.37 1.07 -1.36 2.94 5.85 -1.09 -0.50 115.31 122.58 3hpf h LEU 154 Ca 0.05 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3hpf h LEU 154 Cb 0.73 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3hpf h LEU 154 CO 0.06 0.92 0.03 -0.33 -0.34 0.00 0.00 178.44 178.78 3hpf h GLU 155 N 1.14 0.45 0.00 1.25 4.39 -1.22 -1.12 114.58 119.48 3hpf h GLU 155 Ca 0.27 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3hpf h GLU 155 Cb 0.16 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3hpf h GLU 155 CO -0.03 0.46 0.00 1.04 -1.16 0.00 0.00 179.01 179.32 3hpf n GLN 156 N -4.33 0.00 0.00 2.33 6.02 -0.65 -4.89 117.38 115.86 3hpf n GLN 156 Ca 0.01 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3hpf n GLN 156 Cb 0.21 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.96 3hpf n GLN 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hpf n GLY 157 N 0.93 1.19 3.52 1.08 0.00 -0.42 -4.62 105.19 106.86 3hpf n GLY 157 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3hpf n GLY 157 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hpf s PHE 158 N -2.00 2.56 -2.29 1.61 0.40 -0.29 -2.12 117.98 115.85 3hpf s PHE 158 Ca 0.00 -0.16 0.25 0.00 -0.60 0.00 0.00 56.93 56.42 3hpf s PHE 158 Cb 0.00 -4.39 0.36 0.00 0.51 0.00 0.00 43.02 39.50 3hpf s PHE 158 CO 0.00 -1.73 1.33 -0.40 0.70 0.00 0.00 175.22 175.12 3hpf n ASP 159 N 8.31 1.99 -4.17 1.36 5.75 -1.26 -3.44 116.55 125.09 3hpf n ASP 159 Ca 0.01 -1.51 -0.27 0.00 -0.01 0.00 0.00 54.79 53.02 3hpf n ASP 159 Cb 0.47 0.21 -0.16 0.00 -1.03 0.00 0.00 41.12 40.62 3hpf n ASP 159 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hpf s VAL 160 N -2.29 1.52 0.37 2.12 1.01 -1.26 -1.05 120.40 120.82 3hpf s VAL 160 Ca 0.25 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3hpf s VAL 160 Cb 0.19 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3hpf s VAL 160 CO 0.46 0.43 0.14 -0.36 0.00 0.00 0.00 175.10 175.78 3hpf s PHE 161 N -0.18 1.75 0.02 5.22 0.08 0.11 -1.64 117.98 123.34 3hpf s PHE 161 Ca 0.01 -1.31 0.01 0.00 0.12 0.00 0.00 56.93 55.75 3hpf s PHE 161 Cb -0.10 -1.05 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 3hpf s PHE 161 CO 0.01 -0.38 -0.04 -0.98 -0.10 0.00 0.00 175.22 173.73 3hpf s ARG 162 N -3.73 0.35 -0.09 0.44 1.70 -0.81 -0.83 118.95 115.98 3hpf s ARG 162 Ca 0.30 -0.59 0.03 0.00 -0.47 0.00 0.00 55.73 54.99 3hpf s ARG 162 Cb 0.04 -0.03 0.01 0.00 -0.57 0.00 0.00 34.95 34.39 3hpf s ARG 162 CO 0.17 -0.01 -0.18 -1.17 -1.08 0.00 0.00 175.30 173.03 3hpf s LEU 163 N -1.34 1.85 0.02 -1.89 2.96 0.15 -1.11 118.68 119.32 3hpf s LEU 163 Ca -0.12 -0.45 -0.28 0.00 -0.22 0.00 0.00 54.13 53.06 3hpf s LEU 163 Cb -0.09 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 3hpf s LEU 163 CO -0.00 0.07 0.91 -0.31 -1.32 0.00 0.00 176.35 175.70 3hpf s TYR 164 N 0.65 3.69 0.31 5.38 2.02 -1.08 -0.40 117.35 127.92 3hpf s TYR 164 Ca -0.13 1.63 0.06 0.00 -0.37 0.00 0.00 57.07 58.25 3hpf s TYR 164 Cb -0.16 -3.03 -0.02 0.00 -0.40 0.00 0.00 41.96 38.35 3hpf s TYR 164 CO 0.04 0.08 0.21 1.33 -1.57 0.00 0.00 175.55 175.64 3hpf n VAL 165 N 3.52 0.00 0.00 0.71 0.24 0.04 -4.00 118.33 118.84 3hpf n VAL 165 Ca 0.03 -2.11 0.00 0.00 -2.04 0.00 0.00 64.34 60.22 3hpf n VAL 165 Cb 0.51 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 3hpf n VAL 165 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hpf n GLY 166 N -0.52 1.14 0.13 7.63 0.00 -1.26 -4.25 105.19 108.07 3hpf n GLY 166 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3hpf n GLY 166 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hpf n LYS 167 N -1.20 0.69 -3.46 1.61 3.00 -1.26 -4.76 118.16 112.78 3hpf n LYS 167 Ca 0.00 0.31 -0.28 0.00 -0.00 0.00 0.00 58.31 58.34 3hpf n LYS 167 Cb 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 35.03 33.24 3hpf n LYS 167 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 3hpf s ASN 168 N -6.96 2.36 0.36 3.14 3.84 -1.22 -5.00 114.94 111.47 3hpf s ASN 168 Ca -0.27 -2.65 0.12 0.00 0.21 0.00 0.00 52.86 50.28 3hpf s ASN 168 Cb 0.07 -0.48 0.92 0.00 -0.55 0.00 0.00 41.25 41.21 3hpf s ASN 168 CO 0.69 -0.24 1.82 -0.07 -2.79 0.00 0.00 177.10 176.51 3hpf h LEU 169 N 6.34 0.59 -0.77 3.21 3.38 -1.90 0.87 115.31 127.04 3hpf h LEU 169 Ca 0.15 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3hpf h LEU 169 Cb 0.93 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3hpf h LEU 169 CO 0.34 0.22 0.33 0.44 0.09 0.00 0.00 178.44 179.86 3hpf h ASP 170 N 0.58 1.05 -0.29 -0.43 3.32 -1.98 -1.00 116.42 117.66 3hpf h ASP 170 Ca 0.52 -0.16 -0.17 0.00 0.02 0.00 0.00 57.03 57.24 3hpf h ASP 170 Cb 1.04 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 3hpf h ASP 170 CO -0.27 0.92 -0.49 0.00 -1.72 0.00 0.00 179.24 177.68 3hpf h ALA 171 N 1.17 0.46 0.02 3.45 0.00 -1.29 -1.36 119.26 121.70 3hpf h ALA 171 Ca 0.26 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3hpf h ALA 171 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hpf h ALA 171 CO -0.02 0.63 -0.18 -0.44 0.00 0.00 0.00 179.25 179.24 3hpf h ASP 172 N 0.63 -0.52 -0.63 0.00 3.32 -0.69 -1.11 116.42 117.41 3hpf h ASP 172 Ca 0.02 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3hpf h ASP 172 Cb 1.10 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 3hpf h ASP 172 CO 0.11 -0.25 0.33 -0.08 -1.72 0.00 0.00 179.24 177.63 3hpf h GLU 173 N -0.30 0.93 -0.18 3.56 4.81 -1.16 -1.51 114.58 120.72 3hpf h GLU 173 Ca 0.05 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3hpf h GLU 173 Cb 0.36 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3hpf h GLU 173 CO -0.16 0.71 0.06 1.49 -0.73 0.00 0.00 179.01 180.38 3hpf h GLU 174 N 0.93 0.28 0.14 1.92 4.81 -0.83 -0.41 114.58 121.43 3hpf h GLU 174 Ca 0.23 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3hpf h GLU 174 Cb 0.08 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3hpf h GLU 174 CO -0.03 0.39 -0.25 0.35 -0.73 0.00 0.00 179.01 178.73 3hpf h PHE 175 N 0.12 -0.68 -0.93 0.92 3.57 -0.89 0.07 116.94 119.13 3hpf h PHE 175 Ca 0.06 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3hpf h PHE 175 Cb 0.22 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 3hpf h PHE 175 CO -0.00 -0.36 0.61 -0.07 -2.23 0.00 0.00 178.31 176.26 3hpf h LEU 176 N -0.47 0.95 -0.43 0.59 3.38 -1.19 1.00 115.31 119.13 3hpf h LEU 176 Ca 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3hpf h LEU 176 Cb 0.49 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3hpf h LEU 176 CO -0.13 0.61 0.13 -1.28 0.09 0.00 0.00 178.44 177.86 3hpf h SER 177 N 1.07 0.63 -0.22 -0.43 0.87 -0.55 -2.28 113.55 112.64 3hpf h SER 177 Ca 0.40 -0.21 -0.09 0.00 -1.23 0.00 0.00 61.79 60.66 3hpf h SER 177 Cb 0.18 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3hpf h SER 177 CO -0.15 0.68 -0.17 0.03 -0.53 0.00 0.00 176.83 176.69 3hpf h ARG 178 N 0.56 0.65 0.20 2.24 2.47 -0.01 -1.81 114.38 118.68 3hpf h ARG 178 Ca 0.14 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 3hpf h ARG 178 Cb 0.27 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 3hpf h ARG 178 CO -0.00 0.78 -0.10 0.28 0.56 0.00 0.00 179.97 181.49 3hpf h VAL 179 N 0.58 0.86 -0.97 2.04 2.07 -0.66 0.84 116.25 121.00 3hpf h VAL 179 Ca 0.09 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3hpf h VAL 179 Cb 0.61 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 3hpf h VAL 179 CO 0.04 0.07 0.62 0.50 0.02 0.00 0.00 177.57 178.82 3hpf h LYS 180 N -0.43 1.04 -0.13 1.57 3.64 -1.34 0.28 116.57 121.19 3hpf h LYS 180 Ca -0.03 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3hpf h LYS 180 Cb 0.33 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3hpf h LYS 180 CO 0.05 0.68 0.01 1.49 -2.27 0.00 0.00 179.45 179.41 3hpf h GLU 181 N 1.07 0.21 0.00 1.90 4.81 -1.05 0.15 114.58 121.67 3hpf h GLU 181 Ca 0.44 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 3hpf h GLU 181 Cb 0.28 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3hpf h GLU 181 CO -0.21 0.43 -0.68 0.93 -0.73 0.00 0.00 179.01 178.75 3hpf h GLU 182 N -0.03 0.00 0.00 1.92 5.08 -0.44 -3.38 114.58 117.73 3hpf h GLU 182 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hpf h GLU 182 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3hpf h GLU 182 CO 0.00 0.15 -0.29 1.19 -1.00 0.00 0.00 179.01 179.07 3hpf n PHE 183 N -2.95 0.00 0.00 4.33 3.01 0.94 -5.06 117.46 117.72 3hpf n PHE 183 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3hpf n PHE 183 Cb 0.63 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.10 3hpf n PHE 183 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hpf n GLY 184 N 1.42 0.83 0.03 1.37 0.00 0.51 -0.84 105.19 108.51 3hpf n GLY 184 Ca 0.00 0.46 0.02 0.00 0.00 0.00 0.00 46.02 46.50 3hpf n GLY 184 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hpf n SER 185 N 9.20 1.79 0.23 1.61 3.41 -1.26 -4.68 113.62 123.92 3hpf n SER 185 Ca 0.00 -2.10 0.10 0.00 -0.26 0.00 0.00 58.87 56.62 3hpf n SER 185 Cb 0.00 -0.09 0.51 0.00 -0.26 0.00 0.00 64.21 64.37 3hpf n SER 185 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3hpf h ARG 186 N 0.00 0.00 -6.18 4.33 3.08 -1.39 -3.43 114.38 110.78 3hpf h ARG 186 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3hpf h ARG 186 Cb 0.67 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.50 3hpf h ARG 186 CO 0.00 0.21 -0.83 0.14 -1.07 0.00 0.00 179.97 178.42 3hpf s VAL 187 N -3.74 1.73 0.03 2.04 -7.23 -1.26 -4.88 120.40 107.10 3hpf s VAL 187 Ca -0.00 -1.46 0.08 0.00 -1.81 0.00 0.00 61.98 58.79 3hpf s VAL 187 Cb 0.11 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 3hpf s VAL 187 CO 0.63 0.02 -0.24 -0.13 -0.31 0.00 0.00 175.10 175.07 3hpf s ARG 188 N -1.71 1.70 -0.38 4.82 0.52 -0.21 -4.82 118.95 118.86 3hpf s ARG 188 Ca 0.07 -1.01 0.04 0.00 -0.52 0.00 0.00 55.73 54.31 3hpf s ARG 188 Cb -0.10 -1.81 0.11 0.00 0.52 0.00 0.00 34.95 33.67 3hpf s ARG 188 CO 0.04 0.47 0.09 0.42 0.02 0.00 0.00 175.30 176.34 3hpf s ILE 189 N -0.75 2.29 0.01 1.52 1.01 0.27 0.05 121.20 125.60 3hpf s ILE 189 Ca 0.10 -2.51 0.29 0.00 0.00 0.00 0.00 60.65 58.52 3hpf s ILE 189 Cb -0.09 -2.67 0.33 0.00 0.01 0.00 0.00 42.46 40.04 3hpf s ILE 189 CO 0.01 -0.64 1.87 0.07 0.00 0.00 0.00 174.94 176.25 3hpf h LYS 190 N 7.40 0.00 -3.12 2.79 5.09 -1.15 -3.29 116.57 124.28 3hpf h LYS 190 Ca -0.05 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.55 3hpf h LYS 190 Cb 0.99 0.00 -0.23 0.00 0.10 0.00 0.00 32.23 33.10 3hpf h LYS 190 CO 0.55 0.07 -0.37 0.45 -2.09 0.00 0.00 179.45 178.07 3hpf s SER 191 N -5.93 -0.21 -0.26 7.07 0.15 -1.26 -0.37 113.70 112.90 3hpf s SER 191 Ca 0.02 0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.93 3hpf s SER 191 Cb 0.09 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 3hpf s SER 191 CO 0.59 -0.26 -0.04 -0.31 1.20 0.00 0.00 173.24 174.43 3hpf s TYR 192 N -0.59 3.09 -0.35 3.44 2.02 -1.16 -0.68 117.35 123.12 3hpf s TYR 192 Ca -0.07 -1.51 -0.10 0.00 -0.37 0.00 0.00 57.07 55.02 3hpf s TYR 192 Cb -0.04 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 3hpf s TYR 192 CO 0.02 -0.72 0.18 0.34 -1.57 0.00 0.00 175.55 173.81 3hpf s ASP 193 N 1.34 5.65 0.00 2.29 -1.08 0.46 -1.33 116.67 124.00 3hpf s ASP 193 Ca 0.00 -0.83 0.29 0.00 -0.52 0.00 0.00 52.55 51.49 3hpf s ASP 193 Cb -0.17 -2.01 1.28 0.00 -1.46 0.00 0.00 42.92 40.56 3hpf s ASP 193 CO -0.03 -0.32 1.92 0.49 0.52 0.00 0.00 175.17 177.75 3hpf n PHE 194 N 4.98 0.00 -3.61 -5.34 3.72 -0.48 -0.78 117.46 115.96 3hpf n PHE 194 Ca -0.13 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.01 3hpf n PHE 194 Cb 0.47 -0.34 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 3hpf n PHE 194 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hpf n SER 195 N -1.31 -3.41 -1.32 4.37 7.64 -1.25 -1.34 113.62 117.00 3hpf n SER 195 Ca 0.11 -0.55 -0.17 0.00 1.01 0.00 0.00 58.87 59.27 3hpf n SER 195 Cb 0.29 -2.82 -0.07 0.00 -1.01 0.00 0.00 64.21 60.60 3hpf n SER 195 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3hpf n HIS 196 N -3.99 -0.01 0.20 1.43 8.25 -0.76 -4.87 115.22 115.46 3hpf n HIS 196 Ca 0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.55 3hpf n HIS 196 Cb 0.52 -3.20 0.38 0.00 1.12 0.00 0.00 29.99 28.80 3hpf n HIS 196 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hpf h LEU 197 N 0.00 0.00 -9.01 2.41 3.38 -1.44 -3.39 115.31 107.25 3hpf h LEU 197 Ca -0.35 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.95 3hpf h LEU 197 Cb 1.28 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.84 3hpf h LEU 197 CO 0.51 0.32 -0.83 -0.76 0.09 0.00 0.00 178.44 177.77 3hpf s LEU 198 N -6.98 2.47 0.63 1.67 1.43 -1.26 -5.02 118.68 111.61 3hpf s LEU 198 Ca 0.00 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.21 3hpf s LEU 198 Cb 0.11 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 3hpf s LEU 198 CO 0.67 0.16 1.08 0.54 0.23 0.00 0.00 176.35 179.02 3hpf s ASN 199 N -2.32 5.47 0.38 2.29 2.20 -1.26 -3.39 114.94 118.30 3hpf s ASN 199 Ca 0.18 1.88 0.11 0.00 -0.94 0.00 0.00 52.86 54.09 3hpf s ASN 199 Cb -0.09 -2.54 0.90 0.00 -2.00 0.00 0.00 41.25 37.51 3hpf s ASN 199 CO 0.09 -1.38 1.87 4.11 -2.94 0.00 0.00 177.10 178.85 3hpf h TRP 200 N 0.20 0.73 -0.40 1.54 5.08 -1.90 -1.50 115.95 119.69 3hpf h TRP 200 Ca -0.47 0.02 -0.12 0.00 1.08 0.00 0.00 58.89 59.41 3hpf h TRP 200 Cb 1.23 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 27.15 3hpf h TRP 200 CO 0.57 0.25 -0.20 0.87 -1.28 0.00 0.00 178.44 178.65 3hpf h LYS 201 N 0.60 0.85 -0.86 0.12 1.57 -1.91 0.71 116.57 117.65 3hpf h LYS 201 Ca 0.44 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3hpf h LYS 201 Cb 0.82 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 3hpf h LYS 201 CO -0.19 1.01 0.44 -0.44 -0.57 0.00 0.00 179.45 179.70 3hpf h ASP 202 N 0.66 1.09 -0.76 0.86 3.32 -1.77 -1.91 116.42 117.90 3hpf h ASP 202 Ca 0.09 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3hpf h ASP 202 Cb 0.76 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3hpf h ASP 202 CO 0.06 0.89 0.34 0.00 -1.72 0.00 0.00 179.24 178.81 3hpf h ALA 203 N 1.28 0.98 -0.35 3.45 0.00 -0.94 -1.16 119.26 122.52 3hpf h ALA 203 Ca 0.30 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3hpf h ALA 203 Cb 0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3hpf h ALA 203 CO -0.04 0.57 0.09 1.25 0.00 0.00 0.00 179.25 181.12 3hpf h HIS 204 N 1.08 0.16 -0.68 0.00 -0.00 -0.12 0.49 115.15 116.07 3hpf h HIS 204 Ca 0.26 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.63 3hpf h HIS 204 Cb 0.16 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 3hpf h HIS 204 CO 0.01 0.05 0.35 0.00 -0.00 0.00 0.00 177.93 178.34 3hpf h ARG 205 N 0.22 0.96 -0.45 5.26 3.08 -1.02 -0.21 114.38 122.23 3hpf h ARG 205 Ca 0.16 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3hpf h ARG 205 Cb 0.16 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3hpf h ARG 205 CO -0.19 0.75 0.16 0.00 -1.07 0.00 0.00 179.97 179.61 3hpf h ALA 206 N 1.17 0.59 -0.26 0.04 0.00 -0.38 -2.42 119.26 117.99 3hpf h ALA 206 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hpf h ALA 206 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hpf h ALA 206 CO -0.03 0.21 0.14 0.82 0.00 0.00 0.00 179.25 180.39 3hpf h ILE 207 N 0.58 1.13 -0.77 0.00 2.04 0.25 0.92 117.51 121.67 3hpf h ILE 207 Ca 0.15 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.75 3hpf h ILE 207 Cb 0.23 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3hpf h ILE 207 CO -0.01 0.13 0.50 0.50 0.00 0.00 0.00 178.15 179.28 3hpf h LYS 208 N 0.30 0.66 0.03 2.37 3.64 -0.91 0.27 116.57 122.93 3hpf h LYS 208 Ca 0.09 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hpf h LYS 208 Cb 0.09 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3hpf h LYS 208 CO -0.01 0.43 -0.01 0.00 -2.27 0.00 0.00 179.45 177.59 3hpf h ARG 209 N 0.68 -0.04 -0.49 1.90 3.08 -0.91 -3.37 114.38 115.23 3hpf h ARG 209 Ca 0.36 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.31 3hpf h ARG 209 Cb 0.48 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3hpf h ARG 209 CO -0.13 0.62 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.23 3hpf h LEU 210 N -0.75 0.94 0.00 3.04 3.38 -0.39 -3.04 115.31 118.49 3hpf h LEU 210 Ca -0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3hpf h LEU 210 Cb 0.68 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hpf h LEU 210 CO 0.01 1.07 0.00 0.35 0.09 0.00 0.00 178.44 179.95 3hpf n THR 211 N -4.23 0.00 0.57 0.22 -2.24 0.92 -0.96 114.28 108.56 3hpf n THR 211 Ca 0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3hpf n THR 211 Cb 0.38 -0.36 0.38 0.00 -2.10 0.00 0.00 70.33 68.63 3hpf n THR 211 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3hpf h LYS 212 N 0.00 0.00 -4.16 -0.78 1.79 -1.69 -3.36 116.57 108.37 3hpf h LYS 212 Ca 0.00 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.79 3hpf h LYS 212 Cb 0.00 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 30.29 3hpf h LYS 212 CO 0.00 0.00 -0.53 0.71 -1.08 0.00 0.00 179.45 178.55 3hpf s TYR 213 N -3.12 3.53 -0.67 -1.35 2.02 -0.13 -5.03 117.35 112.59 3hpf s TYR 213 Ca 0.10 -2.67 -0.08 0.00 -0.37 0.00 0.00 57.07 54.05 3hpf s TYR 213 Cb 0.11 -3.13 0.17 0.00 -0.40 0.00 0.00 41.96 38.72 3hpf s TYR 213 CO 0.60 -0.91 0.54 0.34 -1.57 0.00 0.00 175.55 174.55 3hpf s ASP 214 N 1.15 5.85 -1.02 2.29 -1.08 -1.26 -4.92 116.67 117.67 3hpf s ASP 214 Ca 0.12 -2.65 -0.03 0.00 -0.52 0.00 0.00 52.55 49.47 3hpf s ASP 214 Cb -0.22 -2.00 0.30 0.00 -1.46 0.00 0.00 42.92 39.54 3hpf s ASP 214 CO -0.04 -0.49 1.41 0.18 0.52 0.00 0.00 175.17 176.74 3hpf n LEU 215 N 3.88 6.14 -1.50 -1.34 4.77 -1.26 -4.59 117.00 123.10 3hpf n LEU 215 Ca 0.07 -5.25 -0.12 0.00 -0.03 0.00 0.00 56.01 50.68 3hpf n LEU 215 Cb 0.41 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 3hpf n LEU 215 CO 0.35 1.75 -0.10 0.61 -1.33 0.00 0.00 177.39 178.68 3hpf n GLY 216 N 1.21 -0.07 3.73 -0.72 0.00 -1.26 -0.56 105.19 107.51 3hpf n GLY 216 Ca 0.27 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3hpf n GLY 216 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hpf s LEU 217 N -3.58 4.36 -0.07 0.99 2.96 -1.24 -4.18 118.68 117.92 3hpf s LEU 217 Ca 0.06 2.86 0.08 0.00 -0.22 0.00 0.00 54.13 56.91 3hpf s LEU 217 Cb -0.03 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 42.95 3hpf s LEU 217 CO 0.08 -0.94 0.05 -0.62 -1.32 0.00 0.00 176.35 173.60 3hpf n GLU 218 N 3.48 2.28 -3.54 1.98 1.02 0.50 -4.99 120.64 121.38 3hpf n GLU 218 Ca 0.13 -0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 3hpf n GLU 218 Cb 0.36 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.55 3hpf n GLU 218 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hpf s MET 219 N -2.26 1.09 -0.19 3.49 0.23 -0.37 -4.15 119.30 117.14 3hpf s MET 219 Ca -0.04 -0.46 -0.01 0.00 -1.03 0.00 0.00 55.69 54.16 3hpf s MET 219 Cb 0.03 0.47 0.01 0.00 -1.53 0.00 0.00 34.83 33.81 3hpf s MET 219 CO 0.35 -0.48 -0.14 0.42 -2.03 0.00 0.00 175.02 173.13 3hpf s ILE 220 N -3.41 2.56 -0.10 3.16 -1.09 -0.27 -3.00 121.20 119.05 3hpf s ILE 220 Ca 0.05 -0.77 -0.03 0.00 -2.23 0.00 0.00 60.65 57.67 3hpf s ILE 220 Cb -0.01 -2.11 -0.03 0.00 -1.58 0.00 0.00 42.46 38.72 3hpf s ILE 220 CO -0.08 0.50 0.03 -0.70 -1.23 0.00 0.00 174.94 173.46 3hpf s GLU 221 N 1.30 3.19 -1.45 2.79 2.12 -0.44 -0.89 118.70 125.33 3hpf s GLU 221 Ca 0.04 -0.36 -0.05 0.00 0.36 0.00 0.00 54.97 54.96 3hpf s GLU 221 Cb -0.14 -2.91 0.04 0.00 0.26 0.00 0.00 34.13 31.38 3hpf s GLU 221 CO -0.08 0.65 0.62 0.43 -0.54 0.00 0.00 175.26 176.34 3hpf n SER 222 N 2.33 -1.64 -0.76 -1.70 7.64 -0.34 -1.39 113.62 117.76 3hpf n SER 222 Ca -0.19 -0.93 -0.00 0.00 1.01 0.00 0.00 58.87 58.76 3hpf n SER 222 Cb 0.54 -3.37 0.01 0.00 -1.01 0.00 0.00 64.21 60.38 3hpf n SER 222 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3hpf n PRO 223 N -4.41 1.10 -3.78 1.43 -0.04 -1.26 -1.83 135.00 126.20 3hpf n PRO 223 Ca -0.20 -0.11 -0.10 0.00 -0.04 0.00 0.00 63.50 63.05 3hpf n PRO 223 Cb 0.63 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.72 3hpf n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hpf s ALA 224 N -0.66 -0.63 0.94 0.55 0.00 -1.25 -4.15 121.76 116.55 3hpf s ALA 224 Ca 0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.49 3hpf s ALA 224 Cb 0.02 0.79 0.16 0.00 0.00 0.00 0.00 23.12 24.08 3hpf s ALA 224 CO 0.01 -0.70 1.14 -2.14 0.00 0.00 0.00 175.76 174.06 3hpf s PRO 225 N -3.88 0.82 0.20 0.00 0.02 -1.22 -4.25 135.00 126.70 3hpf s PRO 225 Ca 0.09 1.49 -0.32 0.00 0.02 0.00 0.00 61.00 62.28 3hpf s PRO 225 Cb 0.01 -1.71 -0.13 0.00 0.02 0.00 0.00 34.50 32.69 3hpf s PRO 225 CO -0.05 -2.75 1.57 0.54 -0.33 0.00 0.00 177.00 175.98 3hpf n ARG 226 N -4.31 2.31 -1.22 5.54 1.74 -1.26 -1.73 116.66 117.72 3hpf n ARG 226 Ca 0.11 0.83 -0.08 0.00 -0.77 0.00 0.00 57.85 57.94 3hpf n ARG 226 Cb 0.52 -2.59 -0.03 0.00 -1.02 0.00 0.00 32.46 29.34 3hpf n ARG 226 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hpf n ASN 227 N 3.09 -5.06 -4.08 0.55 3.02 -1.26 -4.91 115.26 106.60 3hpf n ASN 227 Ca 0.15 0.19 -0.43 0.00 -0.03 0.00 0.00 54.58 54.46 3hpf n ASN 227 Cb 0.31 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 3hpf n ASN 227 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hpf n ASP 228 N -0.64 4.80 -0.16 6.41 2.03 -0.71 -4.79 116.55 123.49 3hpf n ASP 228 Ca -0.08 -2.98 -0.05 0.00 0.52 0.00 0.00 54.79 52.20 3hpf n ASP 228 Cb 0.44 -1.59 0.04 0.00 -0.72 0.00 0.00 41.12 39.30 3hpf n ASP 228 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3hpf h PHE 229 N 6.42 0.51 -0.23 -0.67 0.04 -1.91 -1.46 116.94 119.64 3hpf h PHE 229 Ca 0.43 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 61.15 3hpf h PHE 229 Cb 0.73 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 3hpf h PHE 229 CO 1.30 0.27 -0.16 0.22 -0.60 0.00 0.00 178.31 179.34 3hpf h ASP 230 N 0.54 0.39 -0.42 2.17 1.82 -1.98 -1.18 116.42 117.76 3hpf h ASP 230 Ca 0.21 -0.10 -0.11 0.00 -0.39 0.00 0.00 57.03 56.64 3hpf h ASP 230 Cb 0.07 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 3hpf h ASP 230 CO -0.12 0.58 -0.16 1.23 -1.61 0.00 0.00 179.24 179.16 3hpf h GLY 231 N 0.92 0.92 0.99 -0.78 0.00 -1.84 -0.66 103.07 102.62 3hpf h GLY 231 Ca 0.07 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 3hpf h GLY 231 CO 0.03 0.72 0.34 1.41 0.00 0.00 0.00 176.54 179.04 3hpf h LEU 232 N 0.66 0.68 0.07 3.11 3.38 -0.92 -1.53 115.31 120.76 3hpf h LEU 232 Ca 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hpf h LEU 232 Cb 0.71 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hpf h LEU 232 CO 0.05 0.54 -0.04 0.22 0.09 0.00 0.00 178.44 179.30 3hpf h TYR 233 N 0.76 -0.09 -0.98 1.13 3.20 -1.00 0.62 116.97 120.60 3hpf h TYR 233 Ca 0.20 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.13 3hpf h TYR 233 Cb -0.01 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 3hpf h TYR 233 CO -0.02 -0.03 0.64 1.96 -1.64 0.00 0.00 178.16 179.07 3hpf h GLN 234 N -0.13 1.12 -0.11 1.82 1.08 -0.94 -1.33 115.11 116.61 3hpf h GLN 234 Ca -0.01 -0.07 -0.14 0.00 -1.45 0.00 0.00 58.65 56.99 3hpf h GLN 234 Cb 0.11 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 3hpf h GLN 234 CO 0.02 0.74 -0.53 1.25 -0.95 0.00 0.00 178.83 179.36 3hpf h LEU 235 N 1.16 0.35 -1.66 1.46 5.85 -0.98 -2.78 115.31 118.72 3hpf h LEU 235 Ca 0.42 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 3hpf h LEU 235 Cb 0.14 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3hpf h LEU 235 CO -0.16 0.81 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.55 3hpf h ARG 236 N 0.25 0.07 0.00 1.25 2.43 0.24 -0.66 114.38 117.96 3hpf h ARG 236 Ca 0.01 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 3hpf h ARG 236 Cb 1.01 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 3hpf h ARG 236 CO 0.09 0.19 -0.65 -0.07 -1.51 0.00 0.00 179.97 178.02 3hpf h LEU 237 N 0.07 0.00 -1.67 3.80 4.07 -1.15 -3.30 115.31 117.13 3hpf h LEU 237 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3hpf h LEU 237 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3hpf h LEU 237 CO 0.02 0.65 -0.11 0.29 -1.08 0.00 0.00 178.44 178.21 3hpf n LYS 238 N -3.29 1.96 -4.91 1.13 5.02 -0.90 -4.91 118.16 112.27 3hpf n LYS 238 Ca 0.01 -1.65 -0.33 0.00 -2.02 0.00 0.00 58.31 54.33 3hpf n LYS 238 Cb 0.79 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 34.20 3hpf n LYS 238 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hpf s THR 239 N -2.02 2.63 0.27 -0.18 2.01 -0.30 -5.01 115.64 113.03 3hpf s THR 239 Ca 0.25 -0.81 0.09 0.00 0.31 0.00 0.00 61.69 61.53 3hpf s THR 239 Cb 0.19 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 3hpf s THR 239 CO 0.35 0.54 1.61 0.44 -0.69 0.00 0.00 174.62 176.87 3hpf h ASP 240 N 6.79 0.05 -4.14 3.53 5.19 -1.89 -3.45 116.42 122.50 3hpf h ASP 240 Ca -0.24 -0.03 -0.46 0.00 -0.62 0.00 0.00 57.03 55.68 3hpf h ASP 240 Cb 1.22 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3hpf h ASP 240 CO 0.53 0.64 0.36 -0.31 -3.12 0.00 0.00 179.24 177.34 3hpf s TYR 241 N -3.67 3.37 0.51 4.55 2.02 -1.26 -5.01 117.35 117.85 3hpf s TYR 241 Ca -0.02 1.53 -0.22 0.00 -0.37 0.00 0.00 57.07 57.99 3hpf s TYR 241 Cb 0.13 -2.83 -0.06 0.00 -0.40 0.00 0.00 41.96 38.80 3hpf s TYR 241 CO 0.77 -0.31 1.27 -2.14 -1.57 0.00 0.00 175.55 173.58 3hpf s PRO 242 N -3.69 3.41 -0.17 -1.71 0.02 -1.26 -4.83 135.00 126.77 3hpf s PRO 242 Ca 0.61 2.03 -0.06 0.00 0.02 0.00 0.00 61.00 63.60 3hpf s PRO 242 Cb -0.10 -2.32 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 3hpf s PRO 242 CO 0.24 -0.92 0.04 0.42 -0.33 0.00 0.00 177.00 176.45 3hpf s ILE 243 N -1.41 4.58 0.13 2.83 -1.09 -1.26 -1.11 121.20 123.87 3hpf s ILE 243 Ca 0.68 -0.11 0.11 0.00 -2.23 0.00 0.00 60.65 59.10 3hpf s ILE 243 Cb -0.35 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 3hpf s ILE 243 CO 0.42 0.49 -0.27 -0.94 -1.23 0.00 0.00 174.94 173.41 3hpf s SER 244 N 0.21 3.34 -0.05 3.58 1.04 -0.07 -1.03 113.70 120.73 3hpf s SER 244 Ca 0.03 -0.75 -0.14 0.00 0.48 0.00 0.00 55.95 55.56 3hpf s SER 244 Cb -0.13 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.79 3hpf s SER 244 CO 0.01 0.18 0.32 -0.70 0.98 0.00 0.00 173.24 174.03 3hpf s GLU 245 N -2.10 0.60 0.49 4.02 2.56 -0.97 -1.20 118.70 122.10 3hpf s GLU 245 Ca 0.14 0.01 -0.21 0.00 0.00 0.00 0.00 54.97 54.91 3hpf s GLU 245 Cb -0.10 0.27 -0.07 0.00 2.00 0.00 0.00 34.13 36.23 3hpf s GLU 245 CO 0.06 -0.15 1.12 -1.01 -0.56 0.00 0.00 175.26 174.73 3hpf s HIS 246 N -0.89 2.85 -0.34 5.30 3.76 -1.26 -0.75 115.29 123.95 3hpf s HIS 246 Ca -0.10 1.56 -0.10 0.00 -0.15 0.00 0.00 55.06 56.27 3hpf s HIS 246 Cb -0.04 -3.27 0.01 0.00 1.11 0.00 0.00 32.58 30.39 3hpf s HIS 246 CO 0.03 -1.34 0.18 0.08 -0.85 0.00 0.00 174.74 172.84 3hpf s VAL 247 N -1.72 4.59 -0.61 -0.90 1.01 -0.37 -4.85 120.40 117.55 3hpf s VAL 247 Ca 0.67 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3hpf s VAL 247 Cb -0.24 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.70 3hpf s VAL 247 CO 0.28 -0.08 0.53 -2.67 0.00 0.00 0.00 175.10 173.16 3hpf n TRP 248 N 4.99 0.00 -3.54 5.22 2.14 -1.26 -4.29 117.44 120.70 3hpf n TRP 248 Ca -0.13 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.32 3hpf n TRP 248 Cb 0.48 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.93 3hpf n TRP 248 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3hpf s SER 249 N -0.92 -0.47 0.24 -0.67 1.04 -1.26 -4.64 113.70 107.01 3hpf s SER 249 Ca 0.06 0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 3hpf s SER 249 Cb 0.05 0.40 0.26 0.00 0.10 0.00 0.00 66.02 66.84 3hpf s SER 249 CO 0.14 -0.50 1.78 -0.26 0.98 0.00 0.00 173.24 175.38 3hpf h PHE 250 N 2.59 1.04 -0.50 5.02 0.04 -1.96 -0.67 116.94 122.50 3hpf h PHE 250 Ca -0.22 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.44 3hpf h PHE 250 Cb 1.17 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.00 3hpf h PHE 250 CO 0.31 0.84 0.31 -0.22 -0.60 0.00 0.00 178.31 178.95 3hpf h LYS 251 N 0.96 0.67 -0.47 1.51 1.63 -1.99 0.13 116.57 119.01 3hpf h LYS 251 Ca 0.21 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 3hpf h LYS 251 Cb 0.31 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3hpf h LYS 251 CO -0.00 0.48 0.15 0.37 -3.45 0.00 0.00 179.45 176.99 3hpf h GLN 252 N 0.66 0.73 -0.45 1.90 4.15 -1.90 -1.83 115.11 118.38 3hpf h GLN 252 Ca 0.18 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 3hpf h GLN 252 Cb -0.02 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3hpf h GLN 252 CO -0.03 0.69 0.16 0.37 -1.93 0.00 0.00 178.83 178.09 3hpf h GLN 253 N 0.62 0.68 -0.51 1.69 4.15 -0.66 -1.97 115.11 119.12 3hpf h GLN 253 Ca 0.15 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 3hpf h GLN 253 Cb 0.27 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 3hpf h GLN 253 CO -0.00 0.64 0.11 -0.56 -1.93 0.00 0.00 178.83 177.08 3hpf h GLN 254 N 0.58 0.79 -0.43 1.69 3.07 -0.63 -1.23 115.11 118.96 3hpf h GLN 254 Ca 0.15 -0.16 -0.10 0.00 0.09 0.00 0.00 58.65 58.63 3hpf h GLN 254 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.65 3hpf h GLN 254 CO -0.01 0.73 -0.12 0.93 0.09 0.00 0.00 178.83 180.44 3hpf h GLU 255 N 0.76 0.78 -0.14 0.06 4.39 -1.09 0.98 114.58 120.32 3hpf h GLU 255 Ca 0.17 -0.27 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 3hpf h GLU 255 Cb 0.31 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3hpf h GLU 255 CO 0.00 0.87 -0.45 0.52 -1.16 0.00 0.00 179.01 178.79 3hpf h MET 256 N 0.70 0.34 0.19 2.33 2.86 -0.86 -1.90 114.93 118.59 3hpf h MET 256 Ca 0.12 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3hpf h MET 256 Cb 0.61 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3hpf h MET 256 CO 0.04 0.73 -0.09 0.82 1.06 0.00 0.00 176.91 179.47 3hpf h ILE 257 N 0.28 0.91 -0.92 -1.22 2.04 -0.84 -0.81 117.51 116.95 3hpf h ILE 257 Ca 0.02 -0.82 0.17 0.00 1.00 0.00 0.00 64.86 65.22 3hpf h ILE 257 Cb 0.90 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 38.29 3hpf h ILE 257 CO 0.07 0.18 0.59 0.11 0.00 0.00 0.00 178.15 179.10 3hpf h LYS 258 N -0.68 0.62 -0.13 2.37 1.57 -0.76 -0.73 116.57 118.83 3hpf h LYS 258 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3hpf h LYS 258 Cb 0.48 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3hpf h LYS 258 CO 0.04 0.41 0.00 1.63 -0.57 0.00 0.00 179.45 180.97 3hpf n LYS 259 N -4.58 2.04 -4.10 3.15 5.02 -0.72 -4.93 118.16 114.03 3hpf n LYS 259 Ca 0.19 -1.53 -0.32 0.00 -2.02 0.00 0.00 58.31 54.63 3hpf n LYS 259 Cb 0.54 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 3hpf n LYS 259 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hpf n ASP 260 N 0.80 -2.58 0.13 4.39 10.43 -0.28 -4.85 116.55 124.60 3hpf n ASP 260 Ca 0.17 -0.98 -0.01 0.00 2.57 0.00 0.00 54.79 56.54 3hpf n ASP 260 Cb 0.47 -3.00 0.18 0.00 1.84 0.00 0.00 41.12 40.61 3hpf n ASP 260 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hpf h ALA 261 N 0.90 1.00 -2.35 2.24 0.00 -1.45 -3.45 119.26 116.15 3hpf h ALA 261 Ca -0.60 -0.54 -0.34 0.00 0.00 0.00 0.00 54.91 53.43 3hpf h ALA 261 Cb 1.38 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 3hpf h ALA 261 CO 0.72 0.74 -0.62 0.96 0.00 0.00 0.00 179.25 181.05 3hpf s ILE 262 N -3.68 0.52 -0.21 0.00 -4.36 -1.26 -3.37 121.20 108.83 3hpf s ILE 262 Ca -0.02 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.42 3hpf s ILE 262 Cb 0.13 -2.61 -0.16 0.00 1.25 0.00 0.00 42.46 41.06 3hpf s ILE 262 CO 0.76 -0.02 -0.14 0.47 0.24 0.00 0.00 174.94 176.26 3hpf n ASP 263 N -0.44 1.88 -4.12 4.36 9.92 -0.19 -4.97 116.55 122.99 3hpf n ASP 263 Ca -0.00 -0.09 -0.29 0.00 -0.53 0.00 0.00 54.79 53.88 3hpf n ASP 263 Cb 0.66 -0.05 -0.17 0.00 -0.64 0.00 0.00 41.12 40.92 3hpf n ASP 263 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hpf s ILE 264 N -2.44 1.62 -0.33 0.53 1.01 -0.46 -3.24 121.20 117.88 3hpf s ILE 264 Ca -0.25 -0.75 -0.16 0.00 0.00 0.00 0.00 60.65 59.48 3hpf s ILE 264 Cb 0.07 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 3hpf s ILE 264 CO 0.57 0.46 0.41 -0.36 0.00 0.00 0.00 174.94 176.02 3hpf s PHE 265 N 0.56 3.21 -0.48 3.97 0.08 0.10 -2.29 117.98 123.12 3hpf s PHE 265 Ca -0.15 0.13 -0.24 0.00 0.12 0.00 0.00 56.93 56.79 3hpf s PHE 265 Cb -0.17 -2.73 0.03 0.00 -0.57 0.00 0.00 43.02 39.59 3hpf s PHE 265 CO 0.05 -0.42 0.88 1.21 -0.10 0.00 0.00 175.22 176.84 3hpf s ASN 266 N 1.72 6.42 -0.11 1.36 3.04 0.07 -1.55 114.94 125.90 3hpf s ASN 266 Ca 0.15 -0.12 0.02 0.00 0.04 0.00 0.00 52.86 52.95 3hpf s ASN 266 Cb -0.16 -2.42 -0.01 0.00 -1.54 0.00 0.00 41.25 37.12 3hpf s ASN 266 CO 0.12 -1.05 -0.18 -0.63 -3.04 0.00 0.00 177.10 172.32 3hpf s ILE 267 N 3.63 2.63 -0.07 -5.21 1.01 -0.12 -1.23 121.20 121.84 3hpf s ILE 267 Ca 0.32 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 3hpf s ILE 267 Cb -0.12 -2.06 0.04 0.00 0.01 0.00 0.00 42.46 40.33 3hpf s ILE 267 CO 0.23 0.54 0.17 -0.55 0.00 0.00 0.00 174.94 175.33 3hpf s SER 268 N 0.23 -0.16 0.26 3.58 0.15 -1.26 -1.29 113.70 115.21 3hpf s SER 268 Ca -0.12 0.35 -0.06 0.00 0.70 0.00 0.00 55.95 56.83 3hpf s SER 268 Cb -0.16 0.26 0.49 0.00 -1.71 0.00 0.00 66.02 64.91 3hpf s SER 268 CO 0.06 -0.13 1.61 -0.65 1.20 0.00 0.00 173.24 175.33 3hpf h PRO 269 N 6.96 0.06 -0.88 5.44 0.11 -1.90 -2.30 132.00 139.49 3hpf h PRO 269 Ca -0.39 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.79 3hpf h PRO 269 Cb 1.16 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3hpf h PRO 269 CO 0.41 0.04 0.57 -0.24 -0.21 0.00 0.00 178.00 178.57 3hpf h VAL 270 N 0.06 1.02 0.00 3.15 3.04 -1.89 0.28 116.25 121.91 3hpf h VAL 270 Ca 0.45 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 3hpf h VAL 270 Cb 0.81 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 3hpf h VAL 270 CO -0.78 0.17 -0.27 0.49 -1.01 0.00 0.00 177.57 176.17 3hpf n PHE 271 N -4.50 0.59 0.29 3.17 3.72 -0.87 -3.49 117.46 116.35 3hpf n PHE 271 Ca 0.14 0.17 0.03 0.00 -0.05 0.00 0.00 57.45 57.75 3hpf n PHE 271 Cb 0.24 -0.72 0.03 0.00 -0.94 0.00 0.00 39.48 38.09 3hpf n PHE 271 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 3hpf n ILE 272 N -2.04 0.00 0.00 4.37 0.13 -0.90 -4.46 119.36 116.46 3hpf n ILE 272 Ca 0.05 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.20 3hpf n ILE 272 Cb 0.41 1.14 0.00 0.00 -0.84 0.00 0.00 39.64 40.35 3hpf n ILE 272 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3hpf n GLY 273 N 0.40 1.13 0.00 4.50 0.00 -0.14 -4.71 105.19 106.36 3hpf n GLY 273 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3hpf n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hpf n GLY 274 N -1.55 0.77 0.24 -0.02 0.00 0.79 -2.62 105.19 102.80 3hpf n GLY 274 Ca 0.00 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 3hpf n GLY 274 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hpf h LEU 275 N 0.00 0.82 -0.10 0.99 3.38 -1.85 0.91 115.31 119.46 3hpf h LEU 275 Ca 0.00 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3hpf h LEU 275 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3hpf h LEU 275 CO 0.00 1.04 0.05 0.74 0.09 0.00 0.00 178.44 180.35 3hpf h THR 276 N 0.60 1.00 -0.39 0.22 2.02 -1.89 0.68 112.91 115.15 3hpf h THR 276 Ca 0.09 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 3hpf h THR 276 Cb 0.72 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 3hpf h THR 276 CO 0.05 0.02 -0.17 0.28 0.37 0.00 0.00 175.52 176.07 3hpf h SER 277 N 0.11 0.72 -0.16 4.18 0.02 -1.82 -2.52 113.55 114.08 3hpf h SER 277 Ca 0.04 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.66 3hpf h SER 277 Cb 0.01 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3hpf h SER 277 CO -0.03 0.89 -0.21 0.00 -1.14 0.00 0.00 176.83 176.35 3hpf h ALA 278 N 1.17 1.05 -0.38 3.77 0.00 -0.45 -1.64 119.26 122.78 3hpf h ALA 278 Ca 0.10 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3hpf h ALA 278 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hpf h ALA 278 CO 0.05 0.57 -0.02 0.87 0.00 0.00 0.00 179.25 180.72 3hpf h LYS 279 N 0.53 0.67 -0.64 0.00 1.57 -0.70 -0.17 116.57 117.83 3hpf h LYS 279 Ca 0.08 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3hpf h LYS 279 Cb 0.65 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 3hpf h LYS 279 CO 0.05 0.79 0.40 0.87 -0.57 0.00 0.00 179.45 180.99 3hpf h LYS 280 N 0.49 0.77 -0.65 3.15 1.57 -1.20 0.22 116.57 120.93 3hpf h LYS 280 Ca 0.10 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3hpf h LYS 280 Cb 0.49 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3hpf h LYS 280 CO 0.02 0.51 0.13 0.00 -0.57 0.00 0.00 179.45 179.54 3hpf h ALA 281 N 1.27 0.86 -0.53 3.86 0.00 -1.13 0.12 119.26 123.72 3hpf h ALA 281 Ca 0.26 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3hpf h ALA 281 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hpf h ALA 281 CO -0.10 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.64 3hpf h ALA 282 N 1.05 0.79 -0.12 0.00 0.00 -0.42 -1.56 119.26 119.00 3hpf h ALA 282 Ca 0.20 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3hpf h ALA 282 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hpf h ALA 282 CO 0.01 0.67 -0.54 1.88 0.00 0.00 0.00 179.25 181.27 3hpf h TYR 283 N 0.89 0.42 -0.66 0.00 0.05 -0.37 -0.66 116.97 116.64 3hpf h TYR 283 Ca 0.14 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 3hpf h TYR 283 Cb 0.67 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.31 3hpf h TYR 283 CO 0.04 0.80 0.10 0.00 -1.05 0.00 0.00 178.16 178.05 3hpf h ALA 284 N 1.17 0.88 -0.53 3.88 0.00 -0.74 0.68 119.26 124.59 3hpf h ALA 284 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3hpf h ALA 284 Cb 1.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3hpf h ALA 284 CO 0.09 0.65 0.19 0.00 0.00 0.00 0.00 179.25 180.18 3hpf h ALA 285 N 1.04 0.69 -0.58 0.00 0.00 -1.04 -2.01 119.26 117.36 3hpf h ALA 285 Ca 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hpf h ALA 285 Cb 0.45 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3hpf h ALA 285 CO 0.01 0.32 0.36 1.49 0.00 0.00 0.00 179.25 181.44 3hpf h GLU 286 N 0.72 0.79 -0.15 0.00 4.81 -0.63 0.27 114.58 120.39 3hpf h GLU 286 Ca 0.18 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3hpf h GLU 286 Cb 0.23 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3hpf h GLU 286 CO -0.01 0.55 0.05 0.28 -0.73 0.00 0.00 179.01 179.15 3hpf h VAL 287 N 0.79 1.07 -0.44 0.32 2.07 -0.61 -0.43 116.25 119.02 3hpf h VAL 287 Ca 0.21 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3hpf h VAL 287 Cb -0.04 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3hpf h VAL 287 CO -0.04 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.63 3hpf n ALA 288 N -2.51 2.43 -3.81 1.67 0.00 -0.70 -4.93 120.51 112.67 3hpf n ALA 288 Ca -0.01 -0.77 -0.28 0.00 0.00 0.00 0.00 53.44 52.38 3hpf n ALA 288 Cb 0.12 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.64 3hpf n ALA 288 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hpf n SER 289 N 0.79 -5.27 -4.73 0.00 7.64 -0.17 -4.99 113.62 106.89 3hpf n SER 289 Ca 0.15 -0.70 -0.30 0.00 1.01 0.00 0.00 58.87 59.02 3hpf n SER 289 Cb 0.37 -4.19 -0.07 0.00 -1.01 0.00 0.00 64.21 59.31 3hpf n SER 289 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3hpf s LYS 290 N -6.52 2.73 0.52 1.43 -0.14 0.00 -5.02 119.74 112.74 3hpf s LYS 290 Ca 0.64 -0.75 -0.18 0.00 -1.36 0.00 0.00 55.97 54.32 3hpf s LYS 290 Cb -0.31 -2.64 -0.07 0.00 -1.68 0.00 0.00 37.83 33.12 3hpf s LYS 290 CO 0.79 0.56 1.01 -0.51 -0.76 0.00 0.00 175.35 176.44 3hpf s ASP 291 N -2.29 6.37 0.04 2.83 -0.00 -1.20 -4.36 116.67 118.06 3hpf s ASP 291 Ca 0.27 1.74 0.04 0.00 -0.00 0.00 0.00 52.55 54.60 3hpf s ASP 291 Cb -0.12 -2.53 -0.02 0.00 -0.00 0.00 0.00 42.92 40.25 3hpf s ASP 291 CO 0.20 -0.76 -0.13 -0.69 -0.00 0.00 0.00 175.17 173.79 3hpf s VAL 292 N -2.37 0.99 0.01 -1.27 1.01 0.10 -0.72 120.40 118.15 3hpf s VAL 292 Ca 0.62 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3hpf s VAL 292 Cb -0.13 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3hpf s VAL 292 CO 0.28 -0.05 -0.12 0.68 0.00 0.00 0.00 175.10 175.89 3hpf s VAL 293 N -0.89 0.91 -0.45 2.92 -7.23 -0.59 -4.02 120.40 111.04 3hpf s VAL 293 Ca -0.00 -0.64 -0.27 0.00 -1.81 0.00 0.00 61.98 59.26 3hpf s VAL 293 Cb -0.08 -0.79 0.03 0.00 0.56 0.00 0.00 36.38 36.10 3hpf s VAL 293 CO 0.01 0.14 1.00 -0.22 -0.31 0.00 0.00 175.10 175.72 3hpf s LEU 294 N -0.57 3.88 0.00 1.32 2.96 -1.26 -0.94 118.68 124.07 3hpf s LEU 294 Ca 0.03 0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 3hpf s LEU 294 Cb -0.05 -3.33 0.03 0.00 0.50 0.00 0.00 46.19 43.33 3hpf s LEU 294 CO 0.00 -1.09 0.16 0.61 -1.32 0.00 0.00 176.35 174.71 3hpf n GLY 295 N 4.81 -0.36 3.45 7.98 0.00 -0.41 -1.40 105.19 119.26 3hpf n GLY 295 Ca 0.08 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 3hpf n GLY 295 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hpf s THR 296 N -0.89 0.00 -0.49 2.61 -1.32 -1.26 -4.37 115.64 109.92 3hpf s THR 296 Ca 0.10 -0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.61 3hpf s THR 296 Cb -0.00 -1.01 0.03 0.00 -1.51 0.00 0.00 72.50 70.01 3hpf s THR 296 CO 0.07 0.00 0.64 1.07 -2.21 0.00 0.00 174.62 174.19 3hpf n THR 297 N -0.34 0.04 -1.88 5.08 5.66 -1.26 -5.00 114.28 116.57 3hpf n THR 297 Ca -0.15 -0.52 -0.01 0.00 -3.05 0.00 0.00 64.05 60.32 3hpf n THR 297 Cb 0.64 1.06 0.00 0.00 -1.55 0.00 0.00 70.33 70.48 3hpf n THR 297 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hpf n GLN 298 N 0.21 -0.85 -3.03 1.09 1.13 -1.26 -4.87 117.38 109.79 3hpf n GLN 298 Ca 0.02 1.07 -0.18 0.00 -1.94 0.00 0.00 57.00 55.97 3hpf n GLN 298 Cb 0.11 -2.55 0.03 0.00 0.11 0.00 0.00 30.24 27.93 3hpf n GLN 298 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 3hpf s GLU 299 N -1.06 2.63 0.45 -1.09 1.03 -1.26 -4.72 118.70 114.68 3hpf s GLU 299 Ca 0.04 -1.40 -0.08 0.00 0.03 0.00 0.00 54.97 53.57 3hpf s GLU 299 Cb -0.01 -2.71 0.10 0.00 -0.80 0.00 0.00 34.13 30.71 3hpf s GLU 299 CO 0.23 -0.49 0.61 1.28 -1.33 0.00 0.00 175.26 175.56 3hpf n LEU 300 N -1.99 0.00 0.07 1.83 4.77 -1.26 -3.46 117.00 116.96 3hpf n LEU 300 Ca 0.11 -0.68 0.04 0.00 -0.03 0.00 0.00 56.01 55.46 3hpf n LEU 300 Cb 0.60 -0.47 0.46 0.00 -2.33 0.00 0.00 43.42 41.69 3hpf n LEU 300 CO 0.39 -0.93 1.10 0.28 -1.33 0.00 0.00 177.39 176.90 3hpf h SER 301 N -0.80 0.34 -0.16 -1.43 0.02 -1.96 -0.43 113.55 109.12 3hpf h SER 301 Ca -0.20 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3hpf h SER 301 Cb 0.55 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3hpf h SER 301 CO 0.14 0.28 0.02 0.58 -1.14 0.00 0.00 176.83 176.71 3hpf h VAL 302 N 0.39 1.23 -0.17 2.27 2.07 -1.96 0.30 116.25 120.38 3hpf h VAL 302 Ca 0.10 -0.76 -0.14 0.00 0.82 0.00 0.00 66.70 66.73 3hpf h VAL 302 Cb 0.02 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3hpf h VAL 302 CO -0.02 0.23 -0.49 1.23 0.02 0.00 0.00 177.57 178.54 3hpf h GLY 303 N 0.04 0.49 1.39 2.17 0.00 -1.85 -2.55 103.07 102.76 3hpf h GLY 303 Ca 0.05 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 3hpf h GLY 303 CO 0.00 0.48 -0.39 -0.84 0.00 0.00 0.00 176.54 175.79 3hpf h THR 304 N 0.36 1.29 -0.41 4.70 2.02 -0.98 -2.25 112.91 117.64 3hpf h THR 304 Ca 0.02 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 3hpf h THR 304 Cb 0.99 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 3hpf h THR 304 CO 0.09 0.50 0.18 0.00 0.37 0.00 0.00 175.52 176.66 3hpf h ALA 305 N 1.01 0.53 -0.01 6.16 0.00 -0.82 -0.17 119.26 125.95 3hpf h ALA 305 Ca 0.05 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hpf h ALA 305 Cb 0.92 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3hpf h ALA 305 CO 0.08 0.11 -0.15 0.00 0.00 0.00 0.00 179.25 179.29 3hpf h ALA 306 N 1.03 -0.17 0.00 0.00 0.00 -1.28 -2.00 119.26 116.84 3hpf h ALA 306 Ca 0.14 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3hpf h ALA 306 Cb 0.15 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hpf h ALA 306 CO -0.02 -0.64 -0.37 0.00 0.00 0.00 0.00 179.25 178.23 3hpf h MET 307 N -0.25 0.00 -0.43 0.00 -0.00 -1.28 -2.71 114.93 110.26 3hpf h MET 307 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.75 3hpf h MET 307 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.90 3hpf h MET 307 CO -0.16 0.37 0.23 0.00 -0.00 0.00 0.00 176.91 177.35 3hpf h ALA 308 N 1.63 0.55 -0.45 -3.00 0.00 -0.45 0.25 119.26 117.79 3hpf h ALA 308 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hpf h ALA 308 Cb 0.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hpf h ALA 308 CO 0.05 0.08 0.24 0.45 0.00 0.00 0.00 179.25 180.07 3hpf h HIS 309 N 0.56 0.62 0.36 0.00 3.86 -1.13 -1.57 115.15 117.85 3hpf h HIS 309 Ca 0.15 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3hpf h HIS 309 Cb 0.06 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.33 3hpf h HIS 309 CO -0.02 0.47 -0.17 1.25 0.86 0.00 0.00 177.93 180.32 3hpf h LEU 310 N 0.59 -0.40 -1.14 2.43 6.46 -1.17 -3.01 115.31 119.07 3hpf h LEU 310 Ca 0.16 -0.01 0.14 0.00 -0.12 0.00 0.00 57.88 58.04 3hpf h LEU 310 Cb 0.06 0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 40.01 3hpf h LEU 310 CO -0.02 -0.25 0.60 1.23 -0.62 0.00 0.00 178.44 179.38 3hpf h GLY 311 N -0.52 1.45 1.26 3.75 0.00 -0.37 -0.77 103.07 107.86 3hpf h GLY 311 Ca -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3hpf h GLY 311 CO 0.08 0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.72 3hpf n SER 313 N -1.13 0.65 -4.77 0.00 3.41 -0.31 0.12 113.62 111.60 3hpf n SER 313 Ca 0.18 -0.21 -0.39 0.00 -0.26 0.00 0.00 58.87 58.18 3hpf n SER 313 Cb 0.15 1.69 -0.06 0.00 -0.26 0.00 0.00 64.21 65.73 3hpf n SER 313 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hpf s LEU 314 N -4.02 4.57 0.00 1.04 1.43 -1.16 -4.63 118.68 115.92 3hpf s LEU 314 Ca -0.04 1.78 0.23 0.00 -1.03 0.00 0.00 54.13 55.08 3hpf s LEU 314 Cb 0.13 -3.53 0.21 0.00 0.03 0.00 0.00 46.19 43.03 3hpf s LEU 314 CO 0.80 0.15 1.21 0.35 0.23 0.00 0.00 176.35 179.08 3hpf n THR 315 N 1.38 0.00 -1.40 5.49 -2.24 -1.26 -4.35 114.28 111.89 3hpf n THR 315 Ca -0.03 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 3hpf n THR 315 Cb 0.48 0.65 0.18 0.00 -2.10 0.00 0.00 70.33 69.54 3hpf n THR 315 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3hpf n ASN 316 N -1.25 3.08 -4.22 3.42 6.94 -1.26 -4.85 115.26 117.12 3hpf n ASN 316 Ca 0.06 -3.74 -0.39 0.00 -0.02 0.00 0.00 54.58 50.49 3hpf n ASN 316 Cb 0.35 -0.71 -0.10 0.00 -2.36 0.00 0.00 39.78 36.96 3hpf n ASN 316 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3hpf s ILE 317 N -3.36 3.95 -0.14 1.53 1.01 -1.26 -0.72 121.20 122.21 3hpf s ILE 317 Ca 0.49 -1.59 0.15 0.00 0.00 0.00 0.00 60.65 59.71 3hpf s ILE 317 Cb 0.43 -3.49 0.41 0.00 0.01 0.00 0.00 42.46 39.82 3hpf s ILE 317 CO 0.03 -0.55 1.20 0.59 0.00 0.00 0.00 174.94 176.20 3hpf n ASN 318 N 4.83 1.52 -4.18 3.58 3.02 -1.26 -5.02 115.26 117.75 3hpf n ASN 318 Ca -0.08 -3.31 -0.12 0.00 -0.03 0.00 0.00 54.58 51.04 3hpf n ASN 318 Cb 0.42 -0.46 -0.10 0.00 -0.61 0.00 0.00 39.78 39.04 3hpf n ASN 318 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3hpf s HIS 319 N -2.28 1.08 0.21 3.10 3.76 -1.26 -5.12 115.29 114.77 3hpf s HIS 319 Ca 0.36 -1.32 -0.30 0.00 -0.15 0.00 0.00 55.06 53.65 3hpf s HIS 319 Cb 0.36 -0.50 -0.08 0.00 1.11 0.00 0.00 32.58 33.46 3hpf s HIS 319 CO -0.09 -0.65 1.19 0.99 -0.85 0.00 0.00 174.74 175.33 3hpf s THR 320 N -4.14 3.50 0.58 1.30 2.01 -1.26 -4.88 115.64 112.75 3hpf s THR 320 Ca 0.36 1.32 0.07 0.00 0.31 0.00 0.00 61.69 63.75 3hpf s THR 320 Cb 0.07 -3.84 0.10 0.00 0.01 0.00 0.00 72.50 68.84 3hpf s THR 320 CO 0.11 0.24 0.80 -1.20 -0.69 0.00 0.00 174.62 173.87 3hpf n SER 321 N 2.16 1.85 -0.00 3.53 7.64 0.24 -4.84 113.62 124.19 3hpf n SER 321 Ca 0.03 -2.38 0.03 0.00 1.01 0.00 0.00 58.87 57.56 3hpf n SER 321 Cb 0.44 -0.45 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3hpf n SER 321 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3hpf n ASP 322 N -2.48 2.64 -4.58 6.43 8.00 -0.49 -1.54 116.55 124.53 3hpf n ASP 322 Ca 0.16 -0.18 -0.40 0.00 0.71 0.00 0.00 54.79 55.07 3hpf n ASP 322 Cb 0.57 1.21 -0.03 0.00 -0.02 0.00 0.00 41.12 42.85 3hpf n ASP 322 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3hpf s PRO 323 N -2.20 2.77 -0.08 -0.24 0.04 -1.26 -4.63 135.00 129.40 3hpf s PRO 323 Ca -0.01 1.55 0.15 0.00 0.04 0.00 0.00 61.00 62.73 3hpf s PRO 323 Cb 0.04 -4.41 0.30 0.00 0.04 0.00 0.00 34.50 30.47 3hpf s PRO 323 CO 0.26 -2.52 1.14 0.25 0.04 0.00 0.00 177.00 176.17 3hpf n THR 324 N 7.72 0.98 -0.22 1.26 -2.24 -1.26 -4.92 114.28 115.60 3hpf n THR 324 Ca 0.30 -1.63 -0.11 0.00 -2.27 0.00 0.00 64.05 60.34 3hpf n THR 324 Cb 0.49 0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 3hpf n THR 324 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hpf h GLY 325 N 0.56 -0.72 1.83 3.38 0.00 -1.86 -0.36 103.07 105.91 3hpf h GLY 325 Ca -0.07 0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.92 3hpf h GLY 325 CO 0.03 -0.11 0.05 -1.05 0.00 0.00 0.00 176.54 175.45 3hpf n PRO 326 N -5.37 0.04 0.02 4.80 -0.02 -1.23 -0.49 135.00 132.74 3hpf n PRO 326 Ca -0.00 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 3hpf n PRO 326 Cb 0.33 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 3hpf n PRO 326 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hpf n GLU 327 N -1.69 0.27 -0.09 -0.52 -0.58 -0.16 -4.27 120.64 113.60 3hpf n GLU 327 Ca -0.00 -0.03 -0.09 0.00 -0.42 0.00 0.00 57.16 56.62 3hpf n GLU 327 Cb 0.06 -1.56 -0.16 0.00 -0.57 0.00 0.00 31.44 29.21 3hpf n GLU 327 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3hpf n LEU 328 N -1.90 0.07 -4.78 -4.62 4.77 0.35 -4.94 117.00 105.95 3hpf n LEU 328 Ca 0.02 0.03 -0.39 0.00 -0.03 0.00 0.00 56.01 55.64 3hpf n LEU 328 Cb 0.43 0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.91 3hpf n LEU 328 CO 0.41 0.47 0.42 -0.31 -1.33 0.00 0.00 177.39 177.05 3hpf s TYR 329 N -2.54 3.85 0.28 -1.77 2.02 -0.82 -0.84 117.35 117.53 3hpf s TYR 329 Ca -0.09 1.50 0.05 0.00 -0.37 0.00 0.00 57.07 58.16 3hpf s TYR 329 Cb 0.06 -2.70 0.39 0.00 -0.40 0.00 0.00 41.96 39.31 3hpf s TYR 329 CO 0.83 0.49 1.66 -0.39 -1.57 0.00 0.00 175.55 176.57 3hpf h VAL 330 N 3.53 1.32 -4.59 0.71 -1.51 -1.61 -3.45 116.25 110.65 3hpf h VAL 330 Ca -0.47 -1.62 -0.46 0.00 -1.23 0.00 0.00 66.70 62.91 3hpf h VAL 330 Cb 1.21 1.74 -0.10 0.00 -2.13 0.00 0.00 31.29 32.00 3hpf h VAL 330 CO 0.66 0.48 -0.39 0.61 -1.23 0.00 0.00 177.57 177.71 3hpf n GLY 331 N -0.08 3.39 2.49 5.19 0.00 -1.26 -5.08 105.19 109.84 3hpf n GLY 331 Ca -0.02 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 3hpf n GLY 331 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hpf n ASP 332 N -1.60 -1.34 -0.12 1.61 4.64 -1.26 -5.00 116.55 113.47 3hpf n ASP 332 Ca -0.05 -2.18 0.09 0.00 -1.38 0.00 0.00 54.79 51.27 3hpf n ASP 332 Cb 0.51 2.31 0.13 0.00 -1.04 0.00 0.00 41.12 43.02 3hpf n ASP 332 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3hpf n VAL 333 N -0.38 1.69 -4.49 5.18 0.24 -1.26 -4.78 118.33 114.54 3hpf n VAL 333 Ca -0.04 -2.03 -0.26 0.00 -2.04 0.00 0.00 64.34 59.98 3hpf n VAL 333 Cb 0.41 -0.16 -0.10 0.00 -1.47 0.00 0.00 33.84 32.52 3hpf n VAL 333 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3hpf s VAL 334 N -2.58 2.36 0.09 3.34 -7.23 -1.26 -0.01 120.40 115.12 3hpf s VAL 334 Ca 0.29 -2.15 -0.16 0.00 -1.81 0.00 0.00 61.98 58.14 3hpf s VAL 334 Cb 0.25 -2.67 -0.08 0.00 0.56 0.00 0.00 36.38 34.44 3hpf s VAL 334 CO 0.03 -0.21 1.46 0.11 -0.31 0.00 0.00 175.10 176.17 3hpf h LYS 335 N 1.98 0.61 -3.57 4.82 1.79 -1.28 -3.42 116.57 117.48 3hpf h LYS 335 Ca -0.42 -0.27 -0.44 0.00 -2.18 0.00 0.00 60.65 57.34 3hpf h LYS 335 Cb 1.25 -0.02 -0.39 0.00 -1.58 0.00 0.00 32.23 31.50 3hpf h LYS 335 CO 0.69 0.84 -0.76 -0.80 -1.08 0.00 0.00 179.45 178.34 3hpf s ASN 336 N -6.30 1.81 0.71 0.86 0.01 -1.26 -5.08 114.94 105.69 3hpf s ASN 336 Ca -0.13 -0.23 -0.13 0.00 -0.71 0.00 0.00 52.86 51.66 3hpf s ASN 336 Cb 0.08 -0.41 0.03 0.00 0.41 0.00 0.00 41.25 41.36 3hpf s ASN 336 CO 0.80 -0.23 1.10 -0.13 -1.51 0.00 0.00 177.10 177.13 3hpf s ARG 337 N 1.99 2.52 0.68 -0.60 0.52 -1.26 -4.81 118.95 117.99 3hpf s ARG 337 Ca 0.04 1.30 -0.17 0.00 -0.52 0.00 0.00 55.73 56.38 3hpf s ARG 337 Cb -0.13 -1.92 0.01 0.00 0.52 0.00 0.00 34.95 33.42 3hpf s ARG 337 CO -0.06 -1.46 1.27 0.14 0.02 0.00 0.00 175.30 175.21 3hpf s VAL 338 N -2.59 2.09 -0.12 3.52 -7.23 -1.26 -4.97 120.40 109.85 3hpf s VAL 338 Ca 0.64 0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 60.73 3hpf s VAL 338 Cb -0.19 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 3hpf s VAL 338 CO 0.48 -0.02 0.33 0.42 -0.31 0.00 0.00 175.10 176.00 3hpf s THR 339 N -1.58 5.25 -0.09 5.32 -4.23 -1.26 -5.03 115.64 114.03 3hpf s THR 339 Ca 0.80 0.63 0.04 0.00 -1.18 0.00 0.00 61.69 61.99 3hpf s THR 339 Cb -0.35 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 69.83 3hpf s THR 339 CO 0.41 0.43 -0.23 -0.31 -0.54 0.00 0.00 174.62 174.39 3hpf s TYR 340 N 0.08 2.54 -0.16 3.99 2.02 -1.26 -1.74 117.35 122.82 3hpf s TYR 340 Ca 0.19 -0.87 -0.07 0.00 -0.37 0.00 0.00 57.07 55.95 3hpf s TYR 340 Cb -0.14 -1.68 0.06 0.00 -0.40 0.00 0.00 41.96 39.81 3hpf s TYR 340 CO 0.07 -0.31 0.36 0.21 -1.57 0.00 0.00 175.55 174.30 3hpf s LYS 341 N 0.13 0.31 -1.46 -0.62 2.47 -0.52 -4.90 119.74 115.15 3hpf s LYS 341 Ca -0.12 0.78 -0.09 0.00 -1.56 0.00 0.00 55.97 54.98 3hpf s LYS 341 Cb -0.16 0.02 0.04 0.00 -1.46 0.00 0.00 37.83 36.27 3hpf s LYS 341 CO 0.07 -0.19 0.77 -0.25 0.16 0.00 0.00 175.35 175.90 3hpf n ASP 342 N 4.61 -5.31 -0.27 1.43 10.43 -1.26 -1.63 116.55 124.55 3hpf n ASP 342 Ca -0.19 -0.47 -0.03 0.00 2.57 0.00 0.00 54.79 56.67 3hpf n ASP 342 Cb 0.53 -4.27 -0.01 0.00 1.84 0.00 0.00 41.12 39.20 3hpf n ASP 342 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hpf n GLY 343 N -1.56 0.65 3.32 0.44 0.00 -0.90 -4.80 105.19 102.34 3hpf n GLY 343 Ca -0.03 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 3hpf n GLY 343 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hpf s TYR 344 N -2.10 2.33 -0.25 1.61 2.02 -0.65 -1.12 117.35 119.19 3hpf s TYR 344 Ca 0.00 -0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.16 3hpf s TYR 344 Cb 0.00 -1.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.04 3hpf s TYR 344 CO 0.00 -0.00 0.18 -1.17 -1.57 0.00 0.00 175.55 172.99 3hpf s LEU 345 N -0.76 4.08 -0.07 -1.29 2.96 0.16 -1.44 118.68 122.32 3hpf s LEU 345 Ca 0.10 0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 53.94 3hpf s LEU 345 Cb -0.10 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 3hpf s LEU 345 CO -0.00 0.02 0.37 -0.31 -1.32 0.00 0.00 176.35 175.11 3hpf s TYR 346 N 1.32 3.61 0.48 5.38 2.02 -0.71 -1.00 117.35 128.45 3hpf s TYR 346 Ca 0.08 0.84 -0.22 0.00 -0.37 0.00 0.00 57.07 57.40 3hpf s TYR 346 Cb -0.14 -2.32 -0.07 0.00 -0.40 0.00 0.00 41.96 39.02 3hpf s TYR 346 CO 0.07 0.46 1.12 0.00 -1.57 0.00 0.00 175.55 175.63 3hpf s ALA 347 N -0.38 2.89 0.80 3.71 0.00 -1.00 -4.52 121.76 123.25 3hpf s ALA 347 Ca 0.22 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 3hpf s ALA 347 Cb -0.15 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.70 3hpf s ALA 347 CO 0.10 -0.57 1.14 -2.30 0.00 0.00 0.00 175.76 174.13 3hpf n PRO 348 N -0.75 0.23 -1.71 0.00 -0.02 -1.26 -4.82 135.00 126.67 3hpf n PRO 348 Ca 0.09 0.15 -0.62 0.00 -2.02 0.00 0.00 63.50 61.10 3hpf n PRO 348 Cb 0.50 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 3hpf n PRO 348 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hpf n ASP 349 N -2.94 1.86 0.17 2.55 -0.08 -1.26 -4.81 116.55 112.04 3hpf n ASP 349 Ca 0.13 1.10 0.13 0.00 -1.51 0.00 0.00 54.79 54.64 3hpf n ASP 349 Cb 0.50 -1.03 0.57 0.00 2.34 0.00 0.00 41.12 43.51 3hpf n ASP 349 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3hpf h ARG 350 N 6.44 0.00 0.00 -0.67 2.43 -1.99 -2.30 114.38 118.29 3hpf h ARG 350 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3hpf h ARG 350 Cb 1.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3hpf h ARG 350 CO 0.97 0.00 -0.35 0.43 -1.51 0.00 0.00 179.97 179.51 3hpf n SER 351 N -2.38 0.49 -4.62 -3.80 7.64 -1.26 -4.06 113.62 105.63 3hpf n SER 351 Ca 0.01 0.16 -0.40 0.00 1.01 0.00 0.00 58.87 59.65 3hpf n SER 351 Cb 0.18 -0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.20 3hpf n SER 351 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hpf s VAL 352 N -3.07 5.08 0.55 0.44 1.01 -0.87 -4.89 120.40 118.66 3hpf s VAL 352 Ca 0.10 0.84 -0.21 0.00 0.00 0.00 0.00 61.98 62.71 3hpf s VAL 352 Cb 0.16 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3hpf s VAL 352 CO 0.65 0.09 1.31 -1.59 0.00 0.00 0.00 175.10 175.57 3hpf s LYS 353 N 2.28 3.11 1.84 2.72 -2.85 -1.26 -4.01 119.74 121.57 3hpf s LYS 353 Ca 0.20 2.11 0.00 0.00 -1.00 0.00 0.00 55.97 57.29 3hpf s LYS 353 Cb -0.16 -2.18 0.00 0.00 -2.06 0.00 0.00 37.83 33.43 3hpf s LYS 353 CO 0.09 -1.17 0.00 0.41 0.10 0.00 0.00 175.35 174.78 3hpf n GLY 354 N 0.70 -0.94 0.28 0.59 0.00 -0.04 -3.98 105.19 101.80 3hpf n GLY 354 Ca 0.11 -1.40 0.17 0.00 0.00 0.00 0.00 46.02 44.90 3hpf n GLY 354 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hpf h LEU 355 N 0.00 0.00 0.00 0.99 4.07 -1.84 -0.98 115.31 117.55 3hpf h LEU 355 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hpf h LEU 355 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3hpf h LEU 355 CO 0.00 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.00 3hpf n GLY 356 N -0.16 0.73 3.23 0.83 0.00 -1.26 -4.71 105.19 103.86 3hpf n GLY 356 Ca -0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 3hpf n GLY 356 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hpf s ILE 357 N -2.00 1.16 -0.05 -0.61 -1.09 -1.26 -4.76 121.20 112.59 3hpf s ILE 357 Ca 0.00 -1.89 0.02 0.00 -2.23 0.00 0.00 60.65 56.56 3hpf s ILE 357 Cb 0.00 -1.66 0.01 0.00 -1.58 0.00 0.00 42.46 39.23 3hpf s ILE 357 CO 0.00 -0.62 -0.10 -1.61 -1.23 0.00 0.00 174.94 171.38 3hpf s GLU 358 N -3.27 1.30 0.42 2.79 2.02 -1.26 -5.07 118.70 115.63 3hpf s GLU 358 Ca 0.12 -0.32 -0.24 0.00 0.02 0.00 0.00 54.97 54.55 3hpf s GLU 358 Cb -0.01 -1.14 -0.08 0.00 0.10 0.00 0.00 34.13 33.00 3hpf s GLU 358 CO 0.01 0.04 1.17 -0.51 0.02 0.00 0.00 175.26 175.99 3hpf s LEU 359 N 0.55 4.12 -0.41 1.80 1.43 -1.26 -0.93 118.68 123.97 3hpf s LEU 359 Ca -0.10 2.33 -0.05 0.00 -1.03 0.00 0.00 54.13 55.28 3hpf s LEU 359 Cb -0.13 -4.11 0.10 0.00 0.03 0.00 0.00 46.19 42.07 3hpf s LEU 359 CO 0.02 -0.78 0.22 -0.62 0.23 0.00 0.00 176.35 175.42 3hpf s ASP 360 N -1.22 5.39 0.43 2.29 -1.08 0.99 -4.60 116.67 118.87 3hpf s ASP 360 Ca 0.60 -1.80 0.20 0.00 -0.52 0.00 0.00 52.55 51.02 3hpf s ASP 360 Cb -0.30 -1.89 1.15 0.00 -1.46 0.00 0.00 42.92 40.42 3hpf s ASP 360 CO 0.37 -0.54 1.85 -0.33 0.52 0.00 0.00 175.17 177.04 3hpf h GLU 361 N 8.20 0.33 -0.13 4.34 4.39 -1.95 0.19 114.58 129.95 3hpf h GLU 361 Ca -0.18 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.39 3hpf h GLU 361 Cb 1.06 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 3hpf h GLU 361 CO 0.72 0.22 -0.41 0.66 -1.16 0.00 0.00 179.01 179.04 3hpf h SER 362 N 0.34 0.32 0.36 1.42 4.64 -1.95 -2.06 113.55 116.61 3hpf h SER 362 Ca 0.48 -0.14 -0.24 0.00 -0.47 0.00 0.00 61.79 61.42 3hpf h SER 362 Cb 1.29 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3hpf h SER 362 CO -0.16 0.70 -1.00 -0.07 -0.87 0.00 0.00 176.83 175.43 3hpf h LEU 363 N 0.25 0.54 -1.02 5.97 3.38 -1.34 -1.31 115.31 121.79 3hpf h LEU 363 Ca 0.02 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.55 3hpf h LEU 363 Cb 0.83 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 3hpf h LEU 363 CO 0.07 1.27 0.67 -0.07 0.09 0.00 0.00 178.44 180.46 3hpf h LEU 364 N 0.22 1.15 -0.17 1.67 3.38 -1.08 -1.43 115.31 119.04 3hpf h LEU 364 Ca -0.09 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.64 3hpf h LEU 364 Cb 1.64 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 42.12 3hpf h LEU 364 CO 0.17 0.83 -0.72 0.00 0.09 0.00 0.00 178.44 178.82 3hpf h ALA 365 N 1.38 0.32 -0.67 1.53 0.00 -1.32 -2.69 119.26 117.81 3hpf h ALA 365 Ca 0.37 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3hpf h ALA 365 Cb -0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3hpf h ALA 365 CO -0.08 0.66 0.42 -0.22 0.00 0.00 0.00 179.25 180.03 3hpf h LYS 366 N 0.54 0.81 -0.67 0.00 3.64 -0.74 -2.79 116.57 117.36 3hpf h LYS 366 Ca -0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3hpf h LYS 366 Cb 1.35 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3hpf h LYS 366 CO 0.15 0.54 0.00 0.66 -2.27 0.00 0.00 179.45 178.53 3hpf n TYR 367 N -4.67 0.90 -1.93 1.91 4.01 -0.58 -4.97 117.16 111.82 3hpf n TYR 367 Ca 0.07 -0.45 -0.41 0.00 -0.16 0.00 0.00 57.90 56.95 3hpf n TYR 367 Cb 0.07 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.09 3hpf n TYR 367 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3hpf s GLN 368 N -1.12 4.16 0.10 -0.72 0.74 -1.01 -0.28 119.66 121.53 3hpf s GLN 368 Ca 0.45 2.41 0.07 0.00 0.05 0.00 0.00 55.36 58.34 3hpf s GLN 368 Cb 0.23 -2.97 -0.03 0.00 1.10 0.00 0.00 33.01 31.34 3hpf s GLN 368 CO 0.30 -0.43 -0.17 0.14 -0.55 0.00 0.00 175.29 174.58 3hpf s VAL 369 N -1.14 1.45 0.48 1.34 -7.23 -0.89 -4.76 120.40 109.65 3hpf s VAL 369 Ca 0.52 -1.52 0.13 0.00 -1.81 0.00 0.00 61.98 59.30 3hpf s VAL 369 Cb -0.43 -1.41 0.26 0.00 0.56 0.00 0.00 36.38 35.36 3hpf s VAL 369 CO 0.58 -0.20 2.11 1.55 -0.31 0.00 0.00 175.10 178.84 3hpf h PRO 370 N 3.99 0.17 0.00 4.82 0.13 -1.96 -3.42 132.00 135.73 3hpf h PRO 370 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3hpf h PRO 370 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3hpf h PRO 370 CO 0.43 0.12 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 3hpf n ASP 371 N -4.51 0.00 -1.35 1.44 5.68 -1.26 -5.02 116.55 111.53 3hpf n ASP 371 Ca -0.01 -0.52 0.06 0.00 -0.50 0.00 0.00 54.79 53.83 3hpf n ASP 371 Cb 0.09 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.38 3hpf n ASP 371 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3hpf n LEU 372 N 0.00 4.74 -4.67 -2.12 4.77 -1.26 -4.90 117.00 113.55 3hpf n LEU 372 Ca 0.00 -3.04 -0.35 0.00 -0.03 0.00 0.00 56.01 52.59 3hpf n LEU 372 Cb 0.00 -0.62 0.10 0.00 -2.33 0.00 0.00 43.42 40.57 3hpf n LEU 372 CO 0.00 0.69 0.71 -1.54 -1.33 0.00 0.00 177.39 175.92 3hpf n SER 373 N -0.12 1.08 -4.86 -1.43 3.41 -1.26 -4.76 113.62 105.68 3hpf n SER 373 Ca 0.26 0.68 -0.31 0.00 -0.26 0.00 0.00 58.87 59.23 3hpf n SER 373 Cb 1.05 -1.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 3hpf n SER 373 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3hpf s TRP 374 N -1.82 3.44 0.53 7.33 0.52 -1.26 -5.08 118.94 122.60 3hpf s TRP 374 Ca 0.76 1.20 0.03 0.00 0.02 0.00 0.00 56.10 58.10 3hpf s TRP 374 Cb -0.33 -2.56 0.03 0.00 -1.15 0.00 0.00 33.47 29.46 3hpf s TRP 374 CO 0.48 -0.14 0.23 -3.47 0.02 0.00 0.00 176.95 174.07 3hpf n ASP 375 N -1.20 3.02 -4.71 2.95 -0.08 -1.26 -5.06 116.55 110.21 3hpf n ASP 375 Ca 0.04 -3.01 -0.42 0.00 -1.51 0.00 0.00 54.79 49.89 3hpf n ASP 375 Cb 0.54 0.13 -0.03 0.00 2.34 0.00 0.00 41.12 44.10 3hpf n ASP 375 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 3hpf s ASN 376 N -4.00 6.48 -0.24 1.67 0.02 -1.26 -4.97 114.94 112.64 3hpf s ASN 376 Ca 0.18 2.71 -0.26 0.00 -1.02 0.00 0.00 52.86 54.47 3hpf s ASN 376 Cb -0.01 -2.58 0.11 0.00 0.02 0.00 0.00 41.25 38.78 3hpf s ASN 376 CO 0.11 -0.93 0.92 0.54 0.02 0.00 0.00 177.10 177.77 3hpf s VAL 377 N 1.76 0.00 0.40 1.60 0.11 -1.26 -5.12 120.40 117.88 3hpf s VAL 377 Ca 0.75 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.84 3hpf s VAL 377 Cb -0.46 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.39 3hpf s VAL 377 CO 0.33 0.00 0.57 0.42 -3.33 0.00 0.00 175.10 173.09 3hpf s THR 378 N -0.03 3.89 0.21 5.04 -4.23 -1.26 -4.98 115.64 114.28 3hpf s THR 378 Ca 0.01 -0.80 -0.09 0.00 -1.18 0.00 0.00 61.69 59.63 3hpf s THR 378 Cb -0.04 -3.38 0.15 0.00 1.34 0.00 0.00 72.50 70.56 3hpf s THR 378 CO -0.02 -0.20 1.80 0.58 -0.54 0.00 0.00 174.62 176.24 3hpf h VAL 379 N 0.65 1.24 -0.79 2.29 2.07 -2.02 -1.18 116.25 118.51 3hpf h VAL 379 Ca -0.45 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.40 3hpf h VAL 379 Cb 1.26 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3hpf h VAL 379 CO 0.54 0.29 0.51 0.45 0.02 0.00 0.00 177.57 179.38 3hpf h HIS 380 N 1.08 0.95 -0.24 1.57 3.86 -1.99 -0.95 115.15 119.43 3hpf h HIS 380 Ca 0.26 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.40 3hpf h HIS 380 Cb 0.12 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 3hpf h HIS 380 CO 0.01 0.56 -0.28 1.96 0.86 0.00 0.00 177.93 181.04 3hpf h GLN 381 N 1.00 0.48 -0.17 2.45 4.20 -1.74 -0.77 115.11 120.55 3hpf h GLN 381 Ca 0.31 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.68 3hpf h GLN 381 Cb -0.02 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3hpf h GLN 381 CO -0.10 0.71 -0.52 -0.07 -0.67 0.00 0.00 178.83 178.18 3hpf h LEU 382 N 0.42 0.53 0.00 1.46 3.38 -0.54 0.48 115.31 121.04 3hpf h LEU 382 Ca 0.06 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3hpf h LEU 382 Cb 0.70 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hpf h LEU 382 CO 0.05 0.96 -0.58 0.06 0.09 0.00 0.00 178.44 179.03 3hpf h GLN 383 N 0.38 0.00 -0.00 1.13 3.07 -1.01 -3.33 115.11 115.35 3hpf h GLN 383 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 3hpf h GLN 383 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.60 3hpf h GLN 383 CO 0.10 0.35 -0.71 -0.25 0.09 0.00 0.00 178.83 178.41 3hpf n ASP 384 N -3.12 0.95 -3.10 0.06 8.00 -0.31 -4.99 116.55 114.04 3hpf n ASP 384 Ca 0.01 -0.98 -0.21 0.00 0.71 0.00 0.00 54.79 54.31 3hpf n ASP 384 Cb 0.70 0.90 0.06 0.00 -0.02 0.00 0.00 41.12 42.76 3hpf n ASP 384 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hpf n ARG 385 N -1.16 -6.10 -3.80 -1.24 5.12 0.17 -4.69 116.66 104.96 3hpf n ARG 385 Ca 0.04 0.80 -0.24 0.00 -1.93 0.00 0.00 57.85 56.52 3hpf n ARG 385 Cb 0.28 -5.59 -0.02 0.00 -1.16 0.00 0.00 32.46 25.97 3hpf n ARG 385 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3hpf s THR 386 N -3.22 2.04 0.00 0.55 -4.23 -1.02 -4.71 115.64 105.05 3hpf s THR 386 Ca 0.43 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3hpf s THR 386 Cb -0.19 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3hpf s THR 386 CO 0.53 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.61