#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 0.62 0.19 2.12 -2.85 -1.26 -4.12 119.74 114.44 3hpf s LYS 2 Ca 0.00 -0.71 -0.30 0.00 -1.00 0.00 0.00 55.97 53.96 3hpf s LYS 2 Cb 0.00 -0.49 -0.08 0.00 -2.06 0.00 0.00 37.83 35.20 3hpf s LYS 2 CO 0.00 0.11 1.21 0.42 0.10 0.00 0.00 175.35 177.19 3hpf s ILE 3 N -1.11 3.49 0.00 3.79 1.01 -0.20 -0.88 121.20 127.30 3hpf s ILE 3 Ca -0.05 1.26 0.00 0.00 0.00 0.00 0.00 60.65 61.86 3hpf s ILE 3 Cb -0.09 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.58 3hpf s ILE 3 CO 0.01 0.20 0.00 0.35 0.00 0.00 0.00 174.94 175.50 3hpf n THR 4 N 2.46 0.00 -3.85 2.92 -2.24 -0.21 -0.70 114.28 112.66 3hpf n THR 4 Ca 0.04 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.75 3hpf n THR 4 Cb 0.44 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.52 -0.25 -0.06 3.42 2.15 -1.21 -4.94 116.67 113.26 3hpf s ASP 5 Ca 0.00 -0.62 -0.06 0.00 0.43 0.00 0.00 52.55 52.29 3hpf s ASP 5 Cb 0.00 0.69 0.02 0.00 -0.30 0.00 0.00 42.92 43.33 3hpf s ASP 5 CO 0.00 -1.28 0.17 -0.22 -0.17 0.00 0.00 175.17 173.67 3hpf s LEU 6 N -2.92 1.36 -0.00 -1.34 2.96 -1.26 -1.39 118.68 116.08 3hpf s LEU 6 Ca 0.12 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.38 3hpf s LEU 6 Cb -0.05 0.60 -0.01 0.00 0.50 0.00 0.00 46.19 47.23 3hpf s LEU 6 CO 0.06 -0.09 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.24 3hpf s GLU 7 N -0.05 1.19 -0.20 1.98 2.02 -0.19 -5.00 118.70 118.46 3hpf s GLU 7 Ca -0.01 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.38 3hpf s GLU 7 Cb -0.02 -1.17 0.05 0.00 0.10 0.00 0.00 34.13 33.09 3hpf s GLU 7 CO 0.00 0.31 -0.07 -0.51 0.02 0.00 0.00 175.26 175.02 3hpf s LEU 8 N -0.52 2.12 -0.31 1.80 1.43 -1.26 -1.62 118.68 120.33 3hpf s LEU 8 Ca 0.05 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.16 3hpf s LEU 8 Cb -0.06 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.06 3hpf s LEU 8 CO -0.00 -0.19 0.13 -1.00 0.23 0.00 0.00 176.35 175.52 3hpf s HIS 9 N 1.48 3.17 -0.07 0.29 3.76 0.51 -4.92 115.29 119.51 3hpf s HIS 9 Ca -0.02 -0.76 -0.23 0.00 -0.15 0.00 0.00 55.06 53.90 3hpf s HIS 9 Cb -0.17 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 3hpf s HIS 9 CO -0.07 -0.52 0.67 0.00 -0.85 0.00 0.00 174.74 173.97 3hpf s ALA 10 N 1.56 3.36 0.08 -1.40 0.00 -1.26 0.22 121.76 124.32 3hpf s ALA 10 Ca 0.04 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.13 3hpf s ALA 10 Cb -0.17 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3hpf s ALA 10 CO 0.05 -0.09 -0.13 0.14 0.00 0.00 0.00 175.76 175.73 3hpf s VAL 11 N 0.78 1.03 -0.16 0.00 -7.23 -0.31 -1.64 120.40 112.88 3hpf s VAL 11 Ca 0.36 -1.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.15 3hpf s VAL 11 Cb -0.17 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.66 3hpf s VAL 11 CO 0.17 -0.33 -0.20 -0.83 -0.31 0.00 0.00 175.10 173.60 3hpf s GLY 12 N -1.94 1.35 -0.14 2.32 0.00 0.13 -0.95 107.32 108.09 3hpf s GLY 12 Ca -0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 44.72 43.56 3hpf s GLY 12 CO 0.02 0.20 0.01 -0.42 0.00 0.00 0.00 173.10 172.91 3hpf s ILE 13 N 1.15 0.56 0.69 0.90 1.01 -0.01 -4.80 121.20 120.68 3hpf s ILE 13 Ca 0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 3hpf s ILE 13 Cb -0.14 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.46 3hpf s ILE 13 CO -0.09 0.03 1.06 -2.16 0.00 0.00 0.00 174.94 173.77 3hpf s PRO 14 N 1.87 3.03 0.27 2.79 0.04 -1.26 -2.69 135.00 139.05 3hpf s PRO 14 Ca 0.02 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 61.97 3hpf s PRO 14 Cb -0.15 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3hpf s PRO 14 CO -0.07 -1.02 0.47 1.03 0.04 0.00 0.00 177.00 177.45 3hpf s ARG 15 N -5.07 3.51 0.42 4.56 0.52 0.11 -1.54 118.95 121.45 3hpf s ARG 15 Ca 0.58 -0.34 0.16 0.00 -0.52 0.00 0.00 55.73 55.60 3hpf s ARG 15 Cb -0.14 -2.75 1.04 0.00 0.52 0.00 0.00 34.95 33.62 3hpf s ARG 15 CO 0.55 0.28 1.89 0.45 0.02 0.00 0.00 175.30 178.49 3hpf h HIS 16 N 1.37 0.54 0.00 -0.53 3.86 -1.23 0.12 115.15 119.28 3hpf h HIS 16 Ca -0.49 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 3hpf h HIS 16 Cb 1.21 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.51 3hpf h HIS 16 CO 0.53 0.18 0.00 0.25 0.86 0.00 0.00 177.93 179.75 3hpf n THR 17 N -4.50 0.34 0.00 2.45 -2.24 -1.26 -4.93 114.28 104.15 3hpf n THR 17 Ca 0.16 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 3hpf n THR 17 Cb 0.58 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.68 1.67 3.75 3.38 0.00 0.41 -4.47 105.19 110.61 3hpf n GLY 18 Ca 0.09 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.21 2.74 -0.22 1.61 2.19 -1.26 -4.59 117.98 117.24 3hpf s PHE 19 Ca 0.00 0.86 -0.05 0.00 0.33 0.00 0.00 56.93 58.06 3hpf s PHE 19 Cb 0.00 -4.05 -0.02 0.00 -1.31 0.00 0.00 43.02 37.64 3hpf s PHE 19 CO 0.00 -3.44 0.01 0.08 1.83 0.00 0.00 175.22 173.70 3hpf s VAL 20 N -0.19 3.90 0.04 3.12 1.01 -1.26 0.03 120.40 127.05 3hpf s VAL 20 Ca 0.61 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.32 3hpf s VAL 20 Cb -0.47 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3hpf s VAL 20 CO 0.50 0.39 -0.05 0.20 0.00 0.00 0.00 175.10 176.14 3hpf s ASN 21 N 1.38 4.72 -0.08 3.32 0.01 -1.09 -4.95 114.94 118.23 3hpf s ASN 21 Ca 0.05 -0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.02 3hpf s ASN 21 Cb -0.15 -1.08 -0.03 0.00 0.41 0.00 0.00 41.25 40.40 3hpf s ASN 21 CO 0.01 0.24 -0.09 -0.54 -1.51 0.00 0.00 177.10 175.21 3hpf s LYS 22 N -1.77 2.91 0.22 -0.60 1.02 -1.26 -0.83 119.74 119.43 3hpf s LYS 22 Ca 0.20 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.63 3hpf s LYS 22 Cb -0.11 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 3hpf s LYS 22 CO 0.11 0.55 0.02 -1.01 -0.92 0.00 0.00 175.35 174.10 3hpf s HIS 23 N -0.50 1.48 -0.11 3.18 3.76 -0.12 -1.19 115.29 121.79 3hpf s HIS 23 Ca 0.07 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 53.99 3hpf s HIS 23 Cb -0.12 -0.86 0.02 0.00 1.11 0.00 0.00 32.58 32.73 3hpf s HIS 23 CO 0.02 -0.13 -0.10 0.08 -0.85 0.00 0.00 174.74 173.76 3hpf s VAL 24 N -3.53 1.17 -0.11 -0.90 1.01 -0.81 -1.16 120.40 116.07 3hpf s VAL 24 Ca 0.29 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 3hpf s VAL 24 Cb 0.06 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3hpf s VAL 24 CO 0.09 0.39 0.52 -0.63 0.00 0.00 0.00 175.10 175.46 3hpf s ILE 25 N 1.42 5.16 -0.07 2.22 -1.09 0.13 -0.65 121.20 128.32 3hpf s ILE 25 Ca 0.00 1.04 -0.03 0.00 -2.23 0.00 0.00 60.65 59.43 3hpf s ILE 25 Cb -0.13 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 3hpf s ILE 25 CO -0.06 0.31 0.08 -0.69 -1.23 0.00 0.00 174.94 173.35 3hpf s VAL 26 N 0.64 4.89 -0.09 2.92 1.01 -0.24 -0.36 120.40 129.17 3hpf s VAL 26 Ca 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3hpf s VAL 26 Cb -0.16 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.11 3hpf s VAL 26 CO 0.12 0.54 -0.03 -0.54 0.00 0.00 0.00 175.10 175.18 3hpf s LYS 27 N -1.19 0.99 -0.26 2.72 1.02 -0.64 -1.05 119.74 121.33 3hpf s LYS 27 Ca 0.17 -0.06 -0.04 0.00 0.02 0.00 0.00 55.97 56.05 3hpf s LYS 27 Cb -0.12 -1.27 0.01 0.00 -0.52 0.00 0.00 37.83 35.94 3hpf s LYS 27 CO 0.06 -0.30 0.01 0.42 -0.92 0.00 0.00 175.35 174.62 3hpf s ILE 28 N 1.86 3.49 0.26 2.17 1.01 0.08 -1.02 121.20 129.05 3hpf s ILE 28 Ca 0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 3hpf s ILE 28 Cb -0.13 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3hpf s ILE 28 CO -0.07 0.19 0.47 -1.00 0.00 0.00 0.00 174.94 174.53 3hpf s HIS 29 N 1.44 3.48 0.21 3.97 3.76 -0.48 -0.96 115.29 126.71 3hpf s HIS 29 Ca 0.02 0.40 0.03 0.00 -0.15 0.00 0.00 55.06 55.36 3hpf s HIS 29 Cb -0.16 -1.91 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 3hpf s HIS 29 CO -0.01 0.27 -0.01 0.95 -0.85 0.00 0.00 174.74 175.09 3hpf s THR 30 N -2.04 0.99 0.55 1.30 -4.23 -1.06 -1.04 115.64 110.11 3hpf s THR 30 Ca 0.40 -2.03 0.25 0.00 -1.18 0.00 0.00 61.69 59.13 3hpf s THR 30 Cb -0.10 -2.26 0.31 0.00 1.34 0.00 0.00 72.50 71.79 3hpf s THR 30 CO 0.31 -0.39 2.19 -2.24 -0.54 0.00 0.00 174.62 173.95 3hpf h ASP 31 N 2.54 0.00 -0.29 3.99 2.03 -1.33 -1.34 116.42 122.02 3hpf h ASP 31 Ca -0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 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 0.64 0.02 0.00 -0.62 -1.03 0.00 0.00 179.24 178.25 3hpf n GLU 32 N -4.06 1.80 -1.00 4.15 1.02 -1.26 -4.92 120.64 116.37 3hpf n GLU 32 Ca -0.03 -1.23 0.00 0.00 -0.02 0.00 0.00 57.16 55.88 3hpf n GLU 32 Cb 0.11 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 1.10 0.55 3.74 0.62 0.00 -0.51 -5.03 105.19 105.67 3hpf n GLY 33 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3hpf n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hpf s LEU 34 N 0.00 4.30 -0.10 0.99 2.96 -1.26 -4.87 118.68 120.71 3hpf s LEU 34 Ca 0.00 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 3hpf s LEU 34 Cb 0.00 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 3hpf s LEU 34 CO 0.00 0.08 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.05 3hpf s THR 35 N 0.29 2.71 -0.11 3.68 2.01 -1.26 -2.57 115.64 120.38 3hpf s THR 35 Ca 0.23 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 3hpf s THR 35 Cb -0.15 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 3hpf s THR 35 CO 0.09 0.55 0.11 -0.83 -0.69 0.00 0.00 174.62 173.85 3hpf s GLY 36 N 0.06 2.10 -0.04 4.40 0.00 -0.14 -4.72 107.32 108.99 3hpf s GLY 36 Ca -0.07 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.01 3hpf s GLY 36 CO 0.05 -0.41 -0.13 -0.26 0.00 0.00 0.00 173.10 172.35 3hpf s ILE 37 N -0.98 3.16 0.22 0.90 -4.36 -1.26 -0.74 121.20 118.13 3hpf s ILE 37 Ca 0.15 -0.74 0.03 0.00 -0.26 0.00 0.00 60.65 59.83 3hpf s ILE 37 Cb -0.12 -2.26 -0.01 0.00 1.25 0.00 0.00 42.46 41.32 3hpf s ILE 37 CO 0.04 0.55 0.22 0.61 0.24 0.00 0.00 174.94 176.60 3hpf n GLY 38 N 2.17 3.08 3.06 6.27 0.00 -0.21 -3.93 105.19 115.62 3hpf n GLY 38 Ca -0.17 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.77 0.19 -0.78 1.61 2.12 -1.25 -1.08 118.70 116.73 3hpf s GLU 39 Ca 0.24 0.71 -0.17 0.00 0.36 0.00 0.00 54.97 56.10 3hpf s GLU 39 Cb 0.01 -0.03 0.15 0.00 0.26 0.00 0.00 34.13 34.52 3hpf s GLU 39 CO 0.17 -0.24 0.86 -1.64 -0.54 0.00 0.00 175.26 173.88 3hpf s MET 40 N 2.01 3.42 0.27 4.30 -1.94 0.17 -3.58 119.30 123.95 3hpf s MET 40 Ca -0.03 -1.86 -0.29 0.00 -1.71 0.00 0.00 55.69 51.79 3hpf s MET 40 Cb -0.11 -4.54 -0.09 0.00 2.01 0.00 0.00 34.83 32.10 3hpf s MET 40 CO -0.09 -1.53 1.11 -1.12 -0.01 0.00 0.00 175.02 173.37 3hpf s SER 41 N 3.13 7.25 -0.25 3.03 0.01 -1.26 -1.92 113.70 123.69 3hpf s SER 41 Ca 0.21 2.27 -0.23 0.00 1.31 0.00 0.00 55.95 59.51 3hpf s SER 41 Cb -0.13 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.51 3hpf s SER 41 CO -0.04 -0.16 0.38 -0.67 0.41 0.00 0.00 173.24 173.15 3hpf n ASP 42 N 1.29 -5.24 -0.00 2.44 4.64 -1.25 -4.88 116.55 113.55 3hpf n ASP 42 Ca -0.01 0.04 0.14 0.00 -1.38 0.00 0.00 54.79 53.58 3hpf n ASP 42 Cb 0.45 -1.41 0.63 0.00 -1.04 0.00 0.00 41.12 39.75 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 0.34 0.00 -0.91 -0.67 3.01 -0.34 -4.48 117.46 114.42 3hpf n PHE 43 Ca -0.05 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.18 3hpf n PHE 43 Cb 0.55 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.52 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 -1.46 5.77 -4.19 4.37 7.64 -1.26 -4.79 113.62 119.70 3hpf n SER 44 Ca 0.08 -2.37 -0.12 0.00 1.01 0.00 0.00 58.87 57.48 3hpf n SER 44 Cb 0.32 -1.22 -0.10 0.00 -1.01 0.00 0.00 64.21 62.20 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 2.45 1.00 0.74 1.43 3.76 -1.26 -5.02 115.29 118.39 3hpf s HIS 45 Ca 0.52 -0.86 -0.14 0.00 -0.15 0.00 0.00 55.06 54.43 3hpf s HIS 45 Cb 0.17 -0.55 0.05 0.00 1.11 0.00 0.00 32.58 33.35 3hpf s HIS 45 CO -0.03 -0.08 1.16 -0.51 -0.85 0.00 0.00 174.74 174.43 3hpf s LEU 46 N -3.04 3.23 0.74 0.89 2.01 -1.26 -4.63 118.68 116.62 3hpf s LEU 46 Ca 0.13 2.17 -0.13 0.00 0.01 0.00 0.00 54.13 56.30 3hpf s LEU 46 Cb 0.04 -4.57 0.05 0.00 0.01 0.00 0.00 46.19 41.72 3hpf s LEU 46 CO -0.03 -2.19 1.13 -2.16 1.01 0.00 0.00 176.35 174.11 3hpf s PRO 47 N -4.20 2.24 -0.00 1.29 0.04 -1.26 -4.73 135.00 128.38 3hpf s PRO 47 Ca 0.69 1.45 -0.06 0.00 0.04 0.00 0.00 61.00 63.13 3hpf s PRO 47 Cb -0.24 -1.87 -0.26 0.00 0.04 0.00 0.00 34.50 32.16 3hpf s PRO 47 CO 0.47 -1.70 3.58 -0.11 0.04 0.00 0.00 177.00 179.29 3hpf n LEU 48 N -3.03 5.26 -4.26 -3.56 7.94 -1.26 -4.82 117.00 113.26 3hpf n LEU 48 Ca 0.11 -3.17 -0.14 0.00 -1.11 0.00 0.00 56.01 51.70 3hpf n LEU 48 Cb 0.52 -1.41 -0.10 0.00 0.53 0.00 0.00 43.42 42.96 3hpf n LEU 48 CO 0.49 1.68 -0.32 -0.72 -1.11 0.00 0.00 177.39 177.42 3hpf s TYR 49 N 0.95 1.30 0.09 1.96 -0.85 -1.26 -5.03 117.35 114.51 3hpf s TYR 49 Ca 0.65 -1.03 0.07 0.00 -0.52 0.00 0.00 57.07 56.24 3hpf s TYR 49 Cb 0.31 -0.75 -0.03 0.00 0.38 0.00 0.00 41.96 41.87 3hpf s TYR 49 CO -0.00 -0.21 -0.18 -1.54 -1.52 0.00 0.00 175.55 172.09 3hpf s SER 50 N -3.21 2.18 -0.01 -0.18 1.04 -1.26 -4.99 113.70 107.27 3hpf s SER 50 Ca 0.27 -0.66 -0.22 0.00 0.48 0.00 0.00 55.95 55.82 3hpf s SER 50 Cb 0.06 -0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.03 3hpf s SER 50 CO 0.06 0.00 0.66 -0.69 0.98 0.00 0.00 173.24 174.25 3hpf s VAL 51 N -1.22 4.91 -0.29 5.02 1.01 -1.26 -5.02 120.40 123.55 3hpf s VAL 51 Ca 0.03 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 3hpf s VAL 51 Cb -0.10 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3hpf s VAL 51 CO 0.03 0.36 1.52 -0.62 0.00 0.00 0.00 175.10 176.39 3hpf s ASP 52 N 0.12 6.39 0.40 3.32 -1.08 -1.26 -4.63 116.67 119.93 3hpf s ASP 52 Ca 0.34 1.34 0.21 0.00 -0.52 0.00 0.00 52.55 53.92 3hpf s ASP 52 Cb -0.19 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.39 3hpf s ASP 52 CO 0.19 -1.29 1.71 -0.07 0.52 0.00 0.00 175.17 176.22 3hpf h LEU 53 N 11.79 0.00 -0.17 -1.34 3.38 -1.96 -1.21 115.31 125.79 3hpf h LEU 53 Ca -0.31 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 3hpf h LEU 53 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hpf h LEU 53 CO 1.03 0.29 -0.37 0.45 0.09 0.00 0.00 178.44 179.93 3hpf h HIS 54 N 0.00 0.71 -0.39 1.13 3.86 -1.99 -1.72 115.15 116.74 3hpf h HIS 54 Ca -0.00 -0.26 -0.06 0.00 -1.16 0.00 0.00 60.37 58.89 3hpf h HIS 54 Cb 0.93 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 3hpf h HIS 54 CO 0.00 1.00 0.01 0.22 0.86 0.00 0.00 177.93 180.02 3hpf h ASP 55 N 0.21 0.67 -0.81 2.45 3.58 -1.96 -3.02 116.42 117.53 3hpf h ASP 55 Ca 0.00 -0.30 0.02 0.00 0.42 0.00 0.00 57.03 57.17 3hpf h ASP 55 Cb 0.97 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.80 3hpf h ASP 55 CO 0.08 0.81 0.53 0.25 -2.88 0.00 0.00 179.24 178.03 3hpf h LEU 56 N 0.52 0.90 -0.64 2.28 5.85 -1.17 -1.58 115.31 121.46 3hpf h LEU 56 Ca 0.11 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3hpf h LEU 56 Cb 0.46 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3hpf h LEU 56 CO 0.02 0.64 0.39 0.50 -0.34 0.00 0.00 178.44 179.65 3hpf h LYS 57 N 1.06 0.74 -0.36 1.25 3.64 -1.24 0.21 116.57 121.87 3hpf h LYS 57 Ca 0.31 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3hpf h LYS 57 Cb -0.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3hpf h LYS 57 CO -0.09 0.49 0.17 1.96 -2.27 0.00 0.00 179.45 179.71 3hpf h GLN 58 N 0.76 0.53 -0.47 1.90 1.08 -1.31 0.48 115.11 118.08 3hpf h GLN 58 Ca 0.26 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 3hpf h GLN 58 Cb 0.04 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3hpf h GLN 58 CO -0.11 0.48 0.24 0.78 -0.95 0.00 0.00 178.83 179.27 3hpf h GLY 59 N 0.45 0.72 1.21 3.46 0.00 -0.90 -1.45 103.07 106.55 3hpf h GLY 59 Ca 0.12 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 3hpf h GLY 59 CO -0.01 0.32 -0.18 1.41 0.00 0.00 0.00 176.54 178.08 3hpf h LEU 60 N 0.62 0.92 -0.84 3.11 3.38 -0.82 -2.92 115.31 118.76 3hpf h LEU 60 Ca 0.16 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3hpf h LEU 60 Cb 0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3hpf h LEU 60 CO -0.02 1.08 0.51 -0.07 0.09 0.00 0.00 178.44 180.03 3hpf h LEU 61 N 0.80 1.01 -1.76 1.67 3.38 -0.67 0.51 115.31 120.24 3hpf h LEU 61 Ca 0.11 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hpf h LEU 61 Cb 0.73 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3hpf h LEU 61 CO 0.06 0.78 0.20 0.77 0.09 0.00 0.00 178.44 180.33 3hpf h SER 62 N 1.16 0.27 0.00 -0.43 4.64 -1.08 0.30 113.55 118.41 3hpf h SER 62 Ca 0.30 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3hpf h SER 62 Cb -0.05 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3hpf h SER 62 CO -0.06 0.19 -0.00 0.40 -0.87 0.00 0.00 176.83 176.49 3hpf h ILE 63 N 0.31 1.76 0.05 0.95 1.08 -1.23 -3.40 117.51 117.04 3hpf h ILE 63 Ca 0.12 -2.25 -0.25 0.00 -0.39 0.00 0.00 64.86 62.09 3hpf h ILE 63 Cb 0.08 3.29 0.01 0.00 -3.07 0.00 0.00 36.82 37.12 3hpf h ILE 63 CO -0.02 0.58 -1.07 -0.07 -0.69 0.00 0.00 178.15 176.88 3hpf h LEU 64 N -0.96 0.55 -9.16 1.44 3.38 -0.63 -3.45 115.31 106.48 3hpf h LEU 64 Ca -0.00 -0.49 -0.73 0.00 0.09 0.00 0.00 57.88 56.75 3hpf h LEU 64 Cb 0.95 -0.17 0.04 0.00 0.09 0.00 0.00 40.66 41.57 3hpf h LEU 64 CO 0.00 1.32 0.49 -0.11 0.09 0.00 0.00 178.44 180.22 3hpf n LEU 65 N -3.70 1.41 0.00 1.67 7.94 0.10 -1.37 117.00 123.06 3hpf n LEU 65 Ca -0.08 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 3hpf n LEU 65 Cb 0.91 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 43.76 3hpf n LEU 65 CO 0.53 -1.08 0.00 0.61 -1.11 0.00 0.00 177.39 176.34 3hpf n GLY 66 N 2.79 2.33 3.84 -3.96 0.00 0.13 -4.95 105.19 105.37 3hpf n GLY 66 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.01 3.93 -0.33 1.61 -0.21 -0.47 -4.57 119.66 119.61 3hpf s GLN 67 Ca 0.00 0.97 -0.24 0.00 0.02 0.00 0.00 55.36 56.11 3hpf s GLN 67 Cb 0.00 -2.13 0.01 0.00 1.00 0.00 0.00 33.01 31.88 3hpf s GLN 67 CO 0.00 -0.29 0.83 1.21 -2.12 0.00 0.00 175.29 174.92 3hpf s ASN 68 N -3.05 6.66 0.67 5.90 3.04 -1.26 -1.04 114.94 125.86 3hpf s ASN 68 Ca 0.59 0.60 0.35 0.00 0.04 0.00 0.00 52.86 54.44 3hpf s ASN 68 Cb -0.10 -2.42 1.91 0.00 -1.54 0.00 0.00 41.25 39.10 3hpf s ASN 68 CO 0.31 -0.70 2.08 1.55 -3.04 0.00 0.00 177.10 177.30 3hpf h PRO 69 N 8.27 0.00 0.00 0.43 0.13 -1.96 -0.41 132.00 138.46 3hpf h PRO 69 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3hpf h PRO 69 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3hpf h PRO 69 CO 0.92 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.88 3hpf n PHE 70 N -2.97 0.75 -1.59 1.56 3.72 -1.26 -4.02 117.46 113.64 3hpf n PHE 70 Ca -0.02 0.25 -0.40 0.00 -0.05 0.00 0.00 57.45 57.23 3hpf n PHE 70 Cb 0.27 -0.90 -0.02 0.00 -0.94 0.00 0.00 39.48 37.90 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 -2.14 7.56 -0.23 4.37 8.00 -0.16 -4.71 116.55 129.25 3hpf n ASP 71 Ca 0.04 -2.77 -0.02 0.00 0.71 0.00 0.00 54.79 52.75 3hpf n ASP 71 Cb 0.33 -1.53 0.17 0.00 -0.02 0.00 0.00 41.12 40.07 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 7.26 0.93 -0.30 0.64 3.38 -1.83 -1.09 115.31 124.30 3hpf h LEU 72 Ca 0.76 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.56 3hpf h LEU 72 Cb 0.37 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hpf h LEU 72 CO 1.73 0.78 -0.11 0.24 0.09 0.00 0.00 178.44 181.16 3hpf h MET 73 N 1.03 0.60 0.11 1.13 2.86 -1.96 -0.95 114.93 117.75 3hpf h MET 73 Ca 0.25 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3hpf h MET 73 Cb 0.08 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3hpf h MET 73 CO -0.04 0.82 -0.05 -0.22 1.06 0.00 0.00 176.91 178.48 3hpf h LYS 74 N 0.36 -0.14 -0.63 1.72 3.64 -1.91 -1.49 116.57 118.12 3hpf h LYS 74 Ca 0.07 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3hpf h LYS 74 Cb 0.62 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 3hpf h LYS 74 CO 0.04 0.01 0.30 0.82 -2.27 0.00 0.00 179.45 178.35 3hpf h ILE 75 N -0.25 1.22 -0.10 2.00 2.04 -1.21 -1.83 117.51 119.37 3hpf h ILE 75 Ca -0.01 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 3hpf h ILE 75 Cb 0.21 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3hpf h ILE 75 CO 0.02 0.25 -0.23 0.78 0.00 0.00 0.00 178.15 178.98 3hpf h ASN 76 N 0.86 0.17 -0.29 1.72 2.35 -1.11 0.79 115.58 120.06 3hpf h ASN 76 Ca 0.22 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 3hpf h ASN 76 Cb 0.11 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3hpf h ASN 76 CO -0.03 0.40 -0.07 0.50 -1.65 0.00 0.00 177.43 176.59 3hpf h LYS 77 N 0.16 0.57 -0.18 0.81 1.63 -0.80 -0.92 116.57 117.83 3hpf h LYS 77 Ca 0.03 -0.22 -0.08 0.00 -0.85 0.00 0.00 60.65 59.53 3hpf h LYS 77 Cb 0.49 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 3hpf h LYS 77 CO 0.03 0.76 -0.24 0.93 -3.45 0.00 0.00 179.45 177.48 3hpf h GLU 78 N 0.33 0.33 -0.28 1.90 5.08 -0.91 -0.08 114.58 120.95 3hpf h GLU 78 Ca 0.07 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3hpf h GLU 78 Cb 0.55 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3hpf h GLU 78 CO 0.03 0.56 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.49 3hpf h LEU 79 N 0.30 0.52 -1.13 1.33 3.38 -0.63 -2.47 115.31 116.62 3hpf h LEU 79 Ca 0.05 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 3hpf h LEU 79 Cb 0.59 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3hpf h LEU 79 CO 0.04 0.74 -0.43 0.74 0.09 0.00 0.00 178.44 179.62 3hpf h THR 80 N 0.30 1.30 -0.86 0.22 2.02 -0.90 0.53 112.91 115.51 3hpf h THR 80 Ca 0.08 -1.50 -0.03 0.00 0.77 0.00 0.00 66.41 65.73 3hpf h THR 80 Cb 0.49 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 3hpf h THR 80 CO 0.02 0.43 0.42 0.44 0.37 0.00 0.00 175.52 177.20 3hpf h ASP 81 N 0.00 1.12 1.00 4.18 3.32 -0.79 -1.80 116.42 123.45 3hpf h ASP 81 Ca -0.00 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 3hpf h ASP 81 Cb 0.78 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3hpf h ASP 81 CO 0.06 0.94 -1.02 0.78 -1.72 0.00 0.00 179.24 178.27 3hpf h ASN 82 N 1.23 0.00 -2.14 6.45 4.21 -1.12 -3.40 115.58 120.81 3hpf h ASN 82 Ca 0.30 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 57.23 3hpf h ASN 82 Cb 0.11 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 36.91 3hpf h ASN 82 CO -0.04 0.16 -0.97 0.49 -1.29 0.00 0.00 177.43 175.78 3hpf n PHE 83 N -2.77 0.48 -1.70 1.19 3.72 0.15 -5.11 117.46 113.42 3hpf n PHE 83 Ca -0.02 -3.67 -0.37 0.00 -0.05 0.00 0.00 57.45 53.34 3hpf n PHE 83 Cb 0.63 -0.31 0.07 0.00 -0.94 0.00 0.00 39.48 38.93 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 -1.25 2.49 0.46 -1.08 0.04 -0.69 -4.50 135.00 130.47 3hpf s PRO 84 Ca 0.35 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.19 3hpf s PRO 84 Cb 0.14 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.76 3hpf s PRO 84 CO -0.11 -1.64 1.25 -1.21 0.04 0.00 0.00 177.00 175.34 3hpf s GLU 85 N -3.44 3.72 0.00 4.56 2.02 -1.26 -4.93 118.70 119.37 3hpf s GLU 85 Ca 0.82 2.00 0.00 0.00 0.02 0.00 0.00 54.97 57.81 3hpf s GLU 85 Cb -0.37 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3hpf s GLU 85 CO 0.40 -0.65 0.49 0.25 0.02 0.00 0.00 175.26 175.77 3hpf n THR 86 N -0.36 0.02 -1.56 3.63 -2.24 -1.26 -4.99 114.28 107.52 3hpf n THR 86 Ca 0.07 -0.49 -0.08 0.00 -2.27 0.00 0.00 64.05 61.27 3hpf n THR 86 Cb 0.46 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.01 -0.62 -5.02 -0.78 1.56 -1.26 -5.01 117.12 105.98 3hpf n MET 87 Ca 0.00 0.67 -0.30 0.00 -0.27 0.00 0.00 57.70 57.80 3hpf n MET 87 Cb 0.01 -4.56 -0.17 0.00 2.15 0.00 0.00 33.22 30.65 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 -2.35 2.19 0.18 1.12 5.04 -1.26 -4.92 117.35 117.35 3hpf s TYR 88 Ca 0.00 -0.85 -0.16 0.00 -2.44 0.00 0.00 57.07 53.62 3hpf s TYR 88 Cb 0.00 -1.49 0.15 0.00 0.35 0.00 0.00 41.96 40.97 3hpf s TYR 88 CO 0.00 -0.35 1.64 -0.92 -1.34 0.00 0.00 175.55 174.58 3hpf h TYR 89 N 6.71 -0.33 -1.02 4.97 3.20 -1.94 -3.08 116.97 125.47 3hpf h TYR 89 Ca -0.24 0.05 -0.65 0.00 3.14 0.00 0.00 58.73 61.03 3hpf h TYR 89 Cb 1.22 0.22 -0.33 0.00 1.54 0.00 0.00 36.73 39.38 3hpf h TYR 89 CO 0.47 -0.24 0.41 1.19 -1.64 0.00 0.00 178.16 178.35 3hpf n PHE 90 N -5.37 3.10 -1.90 -3.82 0.99 -1.26 -4.85 117.46 104.35 3hpf n PHE 90 Ca 0.04 -2.78 -0.42 0.00 -0.00 0.00 0.00 57.45 54.29 3hpf n PHE 90 Cb 0.28 -1.12 -0.03 0.00 -1.00 0.00 0.00 39.48 37.61 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 -3.78 4.01 0.57 -1.08 2.56 -1.17 -4.67 118.70 115.15 3hpf s GLU 91 Ca 0.60 2.20 0.26 0.00 0.00 0.00 0.00 54.97 58.02 3hpf s GLU 91 Cb 0.48 -4.08 1.61 0.00 2.00 0.00 0.00 34.13 34.14 3hpf s GLU 91 CO -0.03 -1.06 2.17 0.87 -0.56 0.00 0.00 175.26 176.65 3hpf h LYS 92 N 10.50 0.00 0.00 4.30 1.57 -1.94 0.25 116.57 131.25 3hpf h LYS 92 Ca -0.41 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 3hpf h LYS 92 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 3hpf h LYS 92 CO 0.96 0.00 -0.21 0.78 -0.57 0.00 0.00 179.45 180.41 3hpf h GLY 93 N 0.00 0.00 1.11 3.86 0.00 -1.93 -1.70 103.07 104.40 3hpf h GLY 93 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 3hpf h GLY 93 CO -0.00 0.00 -0.27 1.76 0.00 0.00 0.00 176.54 178.03 3hpf h SER 94 N 0.00 1.00 -0.44 0.19 0.02 -1.23 -1.28 113.55 111.82 3hpf h SER 94 Ca -0.00 -0.42 -0.08 0.00 -0.84 0.00 0.00 61.79 60.45 3hpf h SER 94 Cb 0.41 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3hpf h SER 94 CO 0.03 1.20 -0.01 -0.26 -1.14 0.00 0.00 176.83 176.65 3hpf h PHE 95 N 0.80 0.92 0.11 3.45 0.04 -1.37 -1.28 116.94 119.62 3hpf h PHE 95 Ca 0.09 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3hpf h PHE 95 Cb 0.85 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.76 3hpf h PHE 95 CO 0.06 0.84 -0.05 0.82 -0.60 0.00 0.00 178.31 179.38 3hpf h ILE 96 N 0.79 1.02 -0.86 -0.55 2.04 -1.15 -2.34 117.51 116.46 3hpf h ILE 96 Ca 0.15 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3hpf h ILE 96 Cb 0.49 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3hpf h ILE 96 CO 0.02 0.12 0.53 0.03 0.00 0.00 0.00 178.15 178.86 3hpf h ARG 97 N -0.39 1.16 -0.52 2.37 3.08 -1.14 -2.40 114.38 116.54 3hpf h ARG 97 Ca -0.02 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 59.99 3hpf h ARG 97 Cb 0.32 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 3hpf h ARG 97 CO 0.02 0.80 0.24 -0.97 -1.07 0.00 0.00 179.97 178.99 3hpf h ASN 98 N 1.18 0.31 -0.27 7.04 -1.24 -0.90 -0.07 115.58 121.63 3hpf h ASN 98 Ca 0.31 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.31 3hpf h ASN 98 Cb -0.07 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 3hpf h ASN 98 CO -0.06 0.21 0.01 1.23 -1.29 0.00 0.00 177.43 177.53 3hpf h GLY 99 N 0.46 0.63 0.67 1.57 0.00 -0.92 -0.75 103.07 104.72 3hpf h GLY 99 Ca 0.24 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 3hpf h GLY 99 CO -0.19 0.36 -0.44 -2.22 0.00 0.00 0.00 176.54 174.05 3hpf h ILE 100 N 0.56 1.46 -0.63 2.60 1.08 -1.16 -2.87 117.51 118.55 3hpf h ILE 100 Ca 0.12 -1.96 -0.08 0.00 -0.39 0.00 0.00 64.86 62.54 3hpf h ILE 100 Cb 0.35 2.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.66 3hpf h ILE 100 CO 0.01 0.56 0.07 -0.78 -0.69 0.00 0.00 178.15 177.32 3hpf h ASP 101 N -0.23 1.02 0.73 1.72 3.58 -0.90 -0.81 116.42 121.53 3hpf h ASP 101 Ca -0.05 -0.28 -0.10 0.00 0.42 0.00 0.00 57.03 57.02 3hpf h ASP 101 Cb 1.15 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 3hpf h ASP 101 CO 0.09 1.04 -0.49 -0.55 -2.88 0.00 0.00 179.24 176.45 3hpf h ASN 102 N 0.97 0.00 -0.29 2.28 -0.00 -1.24 -1.45 115.58 115.85 3hpf h ASN 102 Ca 0.19 0.00 -0.14 0.00 -0.00 0.00 0.00 56.30 56.35 3hpf h ASN 102 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.79 3hpf h ASN 102 CO 0.02 0.49 -0.31 0.00 -0.00 0.00 0.00 177.43 177.62 3hpf h ALA 103 N 1.51 0.75 -0.44 4.14 0.00 -1.26 -1.65 119.26 122.31 3hpf h ALA 103 Ca -0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3hpf h ALA 103 Cb 0.98 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hpf h ALA 103 CO 0.06 0.66 -0.03 -0.07 0.00 0.00 0.00 179.25 179.87 3hpf h LEU 104 N 0.68 0.71 -0.50 0.00 3.38 -0.76 0.10 115.31 118.92 3hpf h LEU 104 Ca 0.08 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3hpf h LEU 104 Cb 0.86 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3hpf h LEU 104 CO 0.07 0.80 0.06 0.45 0.09 0.00 0.00 178.44 179.91 3hpf h HIS 105 N 0.69 0.90 -0.24 1.13 3.86 -0.92 -0.56 115.15 120.00 3hpf h HIS 105 Ca 0.13 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3hpf h HIS 105 Cb 0.47 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3hpf h HIS 105 CO 0.02 0.83 0.15 0.22 0.86 0.00 0.00 177.93 180.01 3hpf h ASP 106 N 0.71 0.25 0.47 2.45 3.58 -0.90 -1.42 116.42 121.56 3hpf h ASP 106 Ca 0.15 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 3hpf h ASP 106 Cb 0.43 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 3hpf h ASP 106 CO 0.01 0.18 -0.33 0.25 -2.88 0.00 0.00 179.24 176.48 3hpf h LEU 107 N 0.31 -0.85 -0.44 2.28 6.46 -0.76 -1.10 115.31 121.21 3hpf h LEU 107 Ca 0.09 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.96 3hpf h LEU 107 Cb -0.02 0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.13 3hpf h LEU 107 CO -0.03 -0.50 0.17 0.00 -0.62 0.00 0.00 178.44 177.46 3hpf h ALA 109 N 1.27 0.22 -0.71 0.00 0.00 -1.15 -1.92 119.26 116.98 3hpf h ALA 109 Ca 0.20 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3hpf h ALA 109 Cb 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3hpf h ALA 109 CO -0.19 -0.34 0.42 0.87 0.00 0.00 0.00 179.25 180.01 3hpf h LYS 110 N 0.18 0.77 -0.76 0.00 1.57 -0.88 0.29 116.57 117.75 3hpf h LYS 110 Ca 0.08 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3hpf h LYS 110 Cb 0.04 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 3hpf h LYS 110 CO -0.07 0.51 0.50 -0.92 -0.57 0.00 0.00 179.45 178.90 3hpf h TYR 111 N 0.79 0.93 -0.01 -1.35 3.20 -0.80 -1.38 116.97 118.35 3hpf h TYR 111 Ca 0.30 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3hpf h TYR 111 Cb 0.12 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3hpf h TYR 111 CO -0.06 0.57 -0.11 1.28 -1.64 0.00 0.00 178.16 178.21 3hpf n LEU 112 N -4.43 1.18 -3.36 2.82 4.77 -0.69 -4.95 117.00 112.34 3hpf n LEU 112 Ca 0.09 -0.35 -0.19 0.00 -0.03 0.00 0.00 56.01 55.53 3hpf n LEU 112 Cb 0.06 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3hpf n LEU 112 CO 0.36 0.21 0.16 -0.67 -1.33 0.00 0.00 177.39 176.11 3hpf n ASP 113 N -0.27 -3.69 -4.16 -1.43 2.03 0.00 -5.02 116.55 104.01 3hpf n ASP 113 Ca 0.16 -0.56 -0.10 0.00 0.52 0.00 0.00 54.79 54.81 3hpf n ASP 113 Cb 0.34 -4.86 -0.10 0.00 -0.72 0.00 0.00 41.12 35.77 3hpf n ASP 113 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3hpf s ILE 114 N -3.33 0.22 0.50 5.18 -4.36 -0.67 -4.83 121.20 113.91 3hpf s ILE 114 Ca 0.22 -1.91 -0.19 0.00 -0.26 0.00 0.00 60.65 58.51 3hpf s ILE 114 Cb -0.10 -1.99 -0.08 0.00 1.25 0.00 0.00 42.46 41.54 3hpf s ILE 114 CO 0.69 -0.53 1.01 -0.55 0.24 0.00 0.00 174.94 175.80 3hpf s SER 115 N -3.05 6.44 0.55 4.36 0.15 -1.26 -0.65 113.70 120.24 3hpf s SER 115 Ca 0.22 1.78 0.23 0.00 0.70 0.00 0.00 55.95 58.88 3hpf s SER 115 Cb 0.07 -2.54 1.48 0.00 -1.71 0.00 0.00 66.02 63.33 3hpf s SER 115 CO 0.01 -0.71 2.13 0.58 1.20 0.00 0.00 173.24 176.44 3hpf h VAL 116 N 1.31 0.74 -0.55 4.45 2.07 -1.53 -1.13 116.25 121.61 3hpf h VAL 116 Ca -0.48 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.12 3hpf h VAL 116 Cb 1.20 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.81 3hpf h VAL 116 CO 0.60 0.00 0.18 -1.28 0.02 0.00 0.00 177.57 177.09 3hpf h SER 117 N 0.00 0.15 0.76 0.57 0.87 -1.89 0.23 113.55 114.24 3hpf h SER 117 Ca 0.07 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3hpf h SER 117 Cb 0.32 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3hpf h SER 117 CO -0.00 0.10 0.00 0.47 -0.53 0.00 0.00 176.83 176.87 3hpf n ASP 118 N -5.03 0.26 0.00 6.23 10.43 -0.43 -1.23 116.55 126.78 3hpf n ASP 118 Ca 0.07 0.55 0.11 0.00 2.57 0.00 0.00 54.79 58.09 3hpf n ASP 118 Cb 0.25 -0.61 0.11 0.00 1.84 0.00 0.00 41.12 42.71 3hpf n ASP 118 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3hpf n PHE 119 N -1.77 0.01 0.08 1.24 -0.00 -0.00 -4.16 117.46 112.85 3hpf n PHE 119 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.55 3hpf n PHE 119 Cb 0.25 -0.17 0.11 0.00 -0.00 0.00 0.00 39.48 39.66 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 -1.52 2.52 0.00 -2.13 4.77 -0.78 -4.96 117.00 114.91 3hpf n LEU 120 Ca 0.05 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 3hpf n LEU 120 Cb 0.34 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3hpf n LEU 120 CO 0.38 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 3hpf n GLY 121 N 0.56 1.30 6.89 -0.72 0.00 -1.19 -4.96 105.19 107.06 3hpf n GLY 121 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.56 -1.30 3.48 -0.02 0.00 -0.37 -4.91 105.19 101.51 3hpf n GLY 122 Ca 0.00 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 2.70 -0.05 1.61 1.81 -1.26 -4.02 118.95 119.74 3hpf s ARG 123 Ca 0.00 -0.67 0.08 0.00 -1.72 0.00 0.00 55.73 53.43 3hpf s ARG 123 Cb 0.00 -2.46 -0.12 0.00 -0.45 0.00 0.00 34.95 31.92 3hpf s ARG 123 CO 0.00 0.56 0.11 0.28 -0.68 0.00 0.00 175.30 175.57 3hpf n VAL 124 N 2.51 0.30 -3.86 3.52 0.31 0.99 -4.97 118.33 117.13 3hpf n VAL 124 Ca -0.17 -0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 63.78 3hpf n VAL 124 Cb 0.52 -0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 33.14 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 -2.41 1.43 0.00 5.55 -2.85 -1.12 -5.06 119.74 115.29 3hpf s LYS 125 Ca -0.04 -1.03 0.16 0.00 -1.00 0.00 0.00 55.97 54.06 3hpf s LYS 125 Cb 0.04 0.49 -0.15 0.00 -2.06 0.00 0.00 37.83 36.16 3hpf s LYS 125 CO 0.36 -0.60 0.73 0.39 0.10 0.00 0.00 175.35 176.33 3hpf n GLU 126 N -0.34 1.57 -3.53 1.78 -0.58 -1.26 -4.77 120.64 113.51 3hpf n GLU 126 Ca -0.07 -0.15 -0.13 0.00 -0.42 0.00 0.00 57.16 56.40 3hpf n GLU 126 Cb 0.62 -1.28 -0.04 0.00 -0.57 0.00 0.00 31.44 30.17 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 -2.46 1.12 -0.04 3.49 -2.85 -1.26 -2.16 119.74 115.59 3hpf s LYS 127 Ca 0.08 -0.39 0.04 0.00 -1.00 0.00 0.00 55.97 54.69 3hpf s LYS 127 Cb 0.13 0.51 -0.00 0.00 -2.06 0.00 0.00 37.83 36.41 3hpf s LYS 127 CO 0.63 -0.44 -0.14 0.96 0.10 0.00 0.00 175.35 176.46 3hpf s ILE 128 N -3.12 1.21 0.21 3.79 -4.36 -0.07 -4.93 121.20 113.93 3hpf s ILE 128 Ca -0.02 -0.59 -0.30 0.00 -0.26 0.00 0.00 60.65 59.48 3hpf s ILE 128 Cb -0.00 -1.05 -0.09 0.00 1.25 0.00 0.00 42.46 42.57 3hpf s ILE 128 CO -0.07 0.36 1.38 -0.75 0.24 0.00 0.00 174.94 176.10 3hpf s LYS 129 N 0.11 4.33 0.46 0.37 2.47 -1.26 -0.45 119.74 125.76 3hpf s LYS 129 Ca -0.04 2.17 0.03 0.00 -1.56 0.00 0.00 55.97 56.56 3hpf s LYS 129 Cb -0.11 -3.17 -0.01 0.00 -1.46 0.00 0.00 37.83 33.08 3hpf s LYS 129 CO 0.02 -0.36 0.10 0.14 0.16 0.00 0.00 175.35 175.41 3hpf s VAL 130 N 0.24 0.70 0.05 4.02 -7.23 0.03 -0.63 120.40 117.58 3hpf s VAL 130 Ca 0.59 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 3hpf s VAL 130 Cb -0.39 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 3hpf s VAL 130 CO 0.39 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 175.12 3hpf s TYR 132 N -2.50 3.51 0.11 0.00 6.14 -0.71 -4.66 117.35 119.25 3hpf s TYR 132 Ca -0.02 0.66 -0.30 0.00 0.64 0.00 0.00 57.07 58.05 3hpf s TYR 132 Cb -0.02 -2.31 -0.06 0.00 0.42 0.00 0.00 41.96 39.99 3hpf s TYR 132 CO -0.03 0.34 1.05 -1.25 0.64 0.00 0.00 175.55 176.30 3hpf s PRO 133 N 0.12 4.60 -0.18 4.97 0.04 -1.26 -2.00 135.00 141.29 3hpf s PRO 133 Ca 0.18 1.59 -0.04 0.00 0.04 0.00 0.00 61.00 62.77 3hpf s PRO 133 Cb -0.13 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 3hpf s PRO 133 CO 0.05 0.05 -0.03 0.42 0.04 0.00 0.00 177.00 177.54 3hpf s ILE 134 N 0.22 3.83 0.49 0.56 1.01 -0.06 -4.93 121.20 122.33 3hpf s ILE 134 Ca 0.50 -0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.58 3hpf s ILE 134 Cb -0.26 -2.70 -0.09 0.00 0.01 0.00 0.00 42.46 39.41 3hpf s ILE 134 CO 0.31 0.46 0.82 0.49 0.00 0.00 0.00 174.94 177.02 3hpf n PHE 135 N 3.93 0.41 -2.06 3.97 0.99 -1.26 -2.37 117.46 121.07 3hpf n PHE 135 Ca -0.17 0.51 -0.41 0.00 -0.00 0.00 0.00 57.45 57.37 3hpf n PHE 135 Cb 0.52 -2.11 -0.03 0.00 -1.00 0.00 0.00 39.48 36.87 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 -2.13 4.29 -0.28 -1.08 3.52 -1.25 -4.58 118.95 117.45 3hpf s ARG 136 Ca 0.67 2.24 -0.25 0.00 -0.13 0.00 0.00 55.73 58.26 3hpf s ARG 136 Cb -0.51 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 3hpf s ARG 136 CO 0.54 -0.39 0.86 -1.01 -0.81 0.00 0.00 175.30 174.49 3hpf s HIS 137 N 0.14 3.24 -0.12 5.12 3.76 -1.26 -4.89 115.29 121.27 3hpf s HIS 137 Ca 0.60 1.01 -0.01 0.00 -0.15 0.00 0.00 55.06 56.51 3hpf s HIS 137 Cb -0.40 -3.23 -0.25 0.00 1.11 0.00 0.00 32.58 29.81 3hpf s HIS 137 CO 0.41 -0.53 0.36 0.54 -0.85 0.00 0.00 174.74 174.67 3hpf n ARG 138 N 6.24 0.72 -4.15 1.40 5.12 -1.26 -3.48 116.66 121.25 3hpf n ARG 138 Ca 0.06 0.25 -0.14 0.00 -1.93 0.00 0.00 57.85 56.09 3hpf n ARG 138 Cb 0.48 -1.70 -0.11 0.00 -1.16 0.00 0.00 32.46 29.97 3hpf n ARG 138 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3hpf s PHE 139 N -2.56 0.95 0.34 -1.55 0.40 -1.26 -4.72 117.98 109.58 3hpf s PHE 139 Ca -0.20 -0.66 0.37 0.00 -0.60 0.00 0.00 56.93 55.85 3hpf s PHE 139 Cb 0.07 -0.53 1.77 0.00 0.51 0.00 0.00 43.02 44.83 3hpf s PHE 139 CO 0.77 -0.04 2.14 0.66 0.70 0.00 0.00 175.22 179.44 3hpf h SER 140 N 3.69 0.00 0.63 1.36 4.64 -1.94 -2.39 113.55 119.54 3hpf h SER 140 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3hpf h SER 140 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3hpf h SER 140 CO 0.52 0.02 0.00 -1.84 -0.87 0.00 0.00 176.83 174.65 3hpf n GLU 141 N -3.15 0.02 0.07 4.77 0.28 -1.26 -2.46 120.64 118.90 3hpf n GLU 141 Ca -0.01 0.21 0.12 0.00 -0.16 0.00 0.00 57.16 57.32 3hpf n GLU 141 Cb 0.21 -1.53 0.28 0.00 1.43 0.00 0.00 31.44 31.83 3hpf n GLU 141 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3hpf n GLU 142 N -1.56 0.24 -0.14 3.44 1.02 -0.90 -4.21 120.64 118.54 3hpf n GLU 142 Ca 0.04 0.11 -0.04 0.00 -0.02 0.00 0.00 57.16 57.26 3hpf n GLU 142 Cb 0.21 -1.70 0.04 0.00 -0.02 0.00 0.00 31.44 29.98 3hpf n GLU 142 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hpf h VAL 143 N 0.00 0.68 -0.24 2.62 2.07 -1.66 -2.46 116.25 117.26 3hpf h VAL 143 Ca 0.00 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3hpf h VAL 143 Cb 0.71 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3hpf h VAL 143 CO 0.00 0.02 -0.07 -0.08 0.02 0.00 0.00 177.57 177.46 3hpf h GLU 144 N 0.13 -0.02 -0.81 1.57 4.57 -1.81 -0.82 114.58 117.40 3hpf h GLU 144 Ca 0.22 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.41 3hpf h GLU 144 Cb 0.31 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 3hpf h GLU 144 CO -0.35 -0.01 0.52 0.77 -1.18 0.00 0.00 179.01 178.77 3hpf h SER 145 N -0.02 0.93 0.35 1.04 0.02 -1.75 -1.78 113.55 112.35 3hpf h SER 145 Ca 0.12 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 3hpf h SER 145 Cb 0.19 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3hpf h SER 145 CO -0.26 0.68 -0.55 0.78 -1.14 0.00 0.00 176.83 176.35 3hpf h ASN 146 N 1.10 0.24 -0.13 3.07 -0.26 -0.95 -2.32 115.58 116.33 3hpf h ASN 146 Ca 0.29 -0.13 -0.10 0.00 -0.56 0.00 0.00 56.30 55.81 3hpf h ASN 146 Cb -0.11 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 3hpf h ASN 146 CO -0.06 0.74 -0.22 -0.07 -1.06 0.00 0.00 177.43 176.76 3hpf h LEU 147 N 0.17 0.55 -0.71 1.61 3.38 -0.48 -1.74 115.31 118.10 3hpf h LEU 147 Ca 0.00 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 3hpf h LEU 147 Cb 1.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3hpf h LEU 147 CO 0.08 0.77 0.24 0.44 0.09 0.00 0.00 178.44 180.07 3hpf h ASP 148 N 0.49 1.01 -0.28 -0.43 3.32 -1.01 -0.64 116.42 118.89 3hpf h ASP 148 Ca 0.08 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 3hpf h ASP 148 Cb 0.65 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3hpf h ASP 148 CO 0.05 0.94 0.17 0.58 -1.72 0.00 0.00 179.24 179.26 3hpf h VAL 149 N 1.03 1.10 -0.51 -1.35 2.07 -0.93 -0.55 116.25 117.11 3hpf h VAL 149 Ca 0.23 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hpf h VAL 149 Cb 0.28 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3hpf h VAL 149 CO -0.01 0.10 0.31 0.58 0.02 0.00 0.00 177.57 178.57 3hpf h VAL 150 N 0.36 1.15 -0.47 2.57 2.07 -1.00 -0.14 116.25 120.79 3hpf h VAL 150 Ca 0.10 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3hpf h VAL 150 Cb 0.01 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3hpf h VAL 150 CO -0.02 0.15 0.25 -0.09 0.02 0.00 0.00 177.57 177.89 3hpf h ARG 151 N 0.68 0.66 -0.18 1.57 2.43 -0.79 -1.00 114.38 117.75 3hpf h ARG 151 Ca 0.18 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3hpf h ARG 151 Cb -0.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3hpf h ARG 151 CO -0.04 0.53 -0.06 1.96 -1.51 0.00 0.00 179.97 180.85 3hpf h GLN 152 N 0.62 0.37 -0.33 0.20 4.20 -0.89 -2.74 115.11 116.54 3hpf h GLN 152 Ca 0.17 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3hpf h GLN 152 Cb 0.06 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3hpf h GLN 152 CO -0.03 0.65 -0.04 0.87 -0.67 0.00 0.00 178.83 179.61 3hpf h LYS 153 N 0.07 0.53 -0.40 1.46 1.79 -0.95 -2.09 116.57 116.97 3hpf h LYS 153 Ca 0.04 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 3hpf h LYS 153 Cb 0.52 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 3hpf h LYS 153 CO 0.02 0.58 0.16 1.25 -1.08 0.00 0.00 179.45 180.39 3hpf h LEU 154 N 0.50 0.55 -1.85 2.94 5.85 -1.13 -0.39 115.31 121.79 3hpf h LEU 154 Ca 0.10 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3hpf h LEU 154 Cb 0.38 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3hpf h LEU 154 CO 0.02 0.57 0.12 -0.33 -0.34 0.00 0.00 178.44 178.48 3hpf h GLU 155 N 0.51 0.20 -0.00 1.25 5.08 -1.15 -0.57 114.58 119.90 3hpf h GLU 155 Ca 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3hpf h GLU 155 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hpf h GLU 155 CO -0.01 0.13 -0.03 1.04 -1.00 0.00 0.00 179.01 179.14 3hpf n GLN 156 N -4.51 0.86 0.00 2.33 6.02 -0.74 -4.91 117.38 116.43 3hpf n GLN 156 Ca -0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 3hpf n GLN 156 Cb 0.11 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 1.16 1.94 3.52 1.08 0.00 -0.22 -4.70 105.19 107.96 3hpf n GLY 157 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.15 2.69 -2.10 1.61 0.40 -0.23 -1.99 117.98 116.20 3hpf s PHE 158 Ca 0.00 -0.06 0.23 0.00 -0.60 0.00 0.00 56.93 56.50 3hpf s PHE 158 Cb 0.00 -4.24 0.08 0.00 0.51 0.00 0.00 43.02 39.37 3hpf s PHE 158 CO 0.00 -1.52 1.15 -0.40 0.70 0.00 0.00 175.22 175.15 3hpf n ASP 159 N 7.85 2.02 -4.23 1.36 5.75 -1.26 -3.26 116.55 124.79 3hpf n ASP 159 Ca 0.02 -1.50 -0.29 0.00 -0.01 0.00 0.00 54.79 53.00 3hpf n ASP 159 Cb 0.47 0.41 -0.16 0.00 -1.03 0.00 0.00 41.12 40.81 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 -2.44 1.80 0.34 2.12 1.01 -1.26 -1.13 120.40 120.84 3hpf s VAL 160 Ca 0.20 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3hpf s VAL 160 Cb 0.18 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3hpf s VAL 160 CO 0.54 0.51 0.14 -0.36 0.00 0.00 0.00 175.10 175.93 3hpf s PHE 161 N -0.25 1.71 0.03 5.22 0.08 0.73 -1.73 117.98 123.77 3hpf s PHE 161 Ca 0.01 -1.28 0.02 0.00 0.12 0.00 0.00 56.93 55.79 3hpf s PHE 161 Cb -0.11 -1.01 -0.02 0.00 -0.57 0.00 0.00 43.02 41.31 3hpf s PHE 161 CO 0.02 -0.38 -0.06 -0.98 -0.10 0.00 0.00 175.22 173.72 3hpf s ARG 162 N -3.80 0.45 -0.11 0.44 1.70 -0.85 -0.81 118.95 115.98 3hpf s ARG 162 Ca 0.32 -0.64 0.03 0.00 -0.47 0.00 0.00 55.73 54.97 3hpf s ARG 162 Cb 0.05 -0.21 0.01 0.00 -0.57 0.00 0.00 34.95 34.23 3hpf s ARG 162 CO 0.16 0.03 -0.19 -1.17 -1.08 0.00 0.00 175.30 173.05 3hpf s LEU 163 N -1.34 1.93 -0.02 -1.89 2.96 0.11 -0.88 118.68 119.56 3hpf s LEU 163 Ca -0.10 -0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 53.03 3hpf s LEU 163 Cb -0.09 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 3hpf s LEU 163 CO 0.00 0.08 0.92 -0.31 -1.32 0.00 0.00 176.35 175.72 3hpf s TYR 164 N 0.67 3.63 0.36 5.38 2.02 -1.00 -0.89 117.35 127.53 3hpf s TYR 164 Ca -0.12 1.60 0.05 0.00 -0.37 0.00 0.00 57.07 58.23 3hpf s TYR 164 Cb -0.16 -3.05 -0.02 0.00 -0.40 0.00 0.00 41.96 38.32 3hpf s TYR 164 CO 0.03 0.00 0.19 1.33 -1.57 0.00 0.00 175.55 175.53 3hpf n VAL 165 N 3.91 0.00 0.00 0.71 0.24 -0.26 -3.89 118.33 119.04 3hpf n VAL 165 Ca 0.05 -2.27 0.00 0.00 -2.04 0.00 0.00 64.34 60.07 3hpf n VAL 165 Cb 0.51 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.63 0.92 0.14 7.63 0.00 -1.26 -4.33 105.19 107.65 3hpf n GLY 166 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.40 0.74 -3.42 1.61 3.00 -1.26 -4.76 118.16 112.66 3hpf n LYS 167 Ca 0.00 0.24 -0.26 0.00 -0.00 0.00 0.00 58.31 58.28 3hpf n LYS 167 Cb 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 35.03 33.26 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 -6.92 2.34 0.50 3.14 3.84 -1.23 -5.01 114.94 111.61 3hpf s ASN 168 Ca -0.25 -2.23 0.21 0.00 0.21 0.00 0.00 52.86 50.80 3hpf s ASN 168 Cb 0.07 -0.21 1.28 0.00 -0.55 0.00 0.00 41.25 41.85 3hpf s ASN 168 CO 0.73 -0.27 2.02 -0.07 -2.79 0.00 0.00 177.10 176.71 3hpf h LEU 169 N 6.76 0.09 -0.48 3.21 3.38 -1.89 -1.02 115.31 125.36 3hpf h LEU 169 Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3hpf h LEU 169 Cb 0.98 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3hpf h LEU 169 CO 0.26 0.05 -0.09 0.44 0.09 0.00 0.00 178.44 179.20 3hpf h ASP 170 N 0.10 0.90 -0.34 -0.43 3.32 -1.97 -1.61 116.42 116.39 3hpf h ASP 170 Ca 0.22 -0.35 -0.14 0.00 0.02 0.00 0.00 57.03 56.78 3hpf h ASP 170 Cb 0.73 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3hpf h ASP 170 CO -0.02 1.04 -0.34 0.00 -1.72 0.00 0.00 179.24 178.19 3hpf h ALA 171 N 0.89 0.50 -0.11 3.45 0.00 -1.59 -1.75 119.26 120.65 3hpf h ALA 171 Ca 0.12 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.63 3hpf h ALA 171 Cb 0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3hpf h ALA 171 CO 0.04 0.57 -0.06 -0.44 0.00 0.00 0.00 179.25 179.36 3hpf h ASP 172 N 0.62 -0.21 -0.47 0.00 3.32 -1.15 -1.30 116.42 117.24 3hpf h ASP 172 Ca 0.05 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3hpf h ASP 172 Cb 0.93 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3hpf h ASP 172 CO 0.09 -0.09 0.26 -0.08 -1.72 0.00 0.00 179.24 177.70 3hpf h GLU 173 N -0.06 0.68 -0.45 3.56 4.81 -1.23 -1.73 114.58 120.15 3hpf h GLU 173 Ca 0.07 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 3hpf h GLU 173 Cb 0.16 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3hpf h GLU 173 CO -0.15 0.51 -0.28 1.49 -0.73 0.00 0.00 179.01 179.86 3hpf h GLU 174 N 0.69 0.99 0.35 1.92 4.81 -0.74 -1.45 114.58 121.14 3hpf h GLU 174 Ca 0.18 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3hpf h GLU 174 Cb 0.04 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3hpf h GLU 174 CO -0.03 1.13 -0.17 0.35 -0.73 0.00 0.00 179.01 179.57 3hpf h PHE 175 N 0.83 -0.43 -0.88 0.92 3.57 -0.79 -0.61 116.94 119.55 3hpf h PHE 175 Ca 0.09 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.67 3hpf h PHE 175 Cb 0.87 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.68 3hpf h PHE 175 CO 0.06 -0.20 0.53 -0.07 -2.23 0.00 0.00 178.31 176.40 3hpf h LEU 176 N -0.59 0.78 -0.33 0.59 3.38 -1.32 0.16 115.31 117.99 3hpf h LEU 176 Ca -0.05 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hpf h LEU 176 Cb 0.43 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3hpf h LEU 176 CO 0.08 0.46 0.19 -1.28 0.09 0.00 0.00 178.44 177.97 3hpf h SER 177 N 0.89 0.41 -0.59 -0.43 0.87 -1.09 -1.87 113.55 111.74 3hpf h SER 177 Ca 0.41 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.86 3hpf h SER 177 Cb 0.34 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3hpf h SER 177 CO -0.23 0.36 0.21 0.03 -0.53 0.00 0.00 176.83 176.67 3hpf h ARG 178 N 0.42 0.91 -0.04 2.24 2.47 0.03 -2.22 114.38 118.19 3hpf h ARG 178 Ca 0.12 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3hpf h ARG 178 Cb 0.04 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.22 3hpf h ARG 178 CO -0.02 0.80 0.02 0.28 0.56 0.00 0.00 179.97 181.61 3hpf h VAL 179 N 0.83 1.03 -0.77 2.04 2.07 -0.54 -1.09 116.25 119.82 3hpf h VAL 179 Ca 0.19 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3hpf h VAL 179 Cb 0.25 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3hpf h VAL 179 CO -0.01 0.02 0.45 0.50 0.02 0.00 0.00 177.57 178.55 3hpf h LYS 180 N 0.03 1.05 -0.41 1.57 3.64 -1.28 -0.23 116.57 120.93 3hpf h LYS 180 Ca 0.01 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 3hpf h LYS 180 Cb 0.02 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3hpf h LYS 180 CO -0.00 0.75 0.04 1.49 -2.27 0.00 0.00 179.45 179.45 3hpf h GLU 181 N 1.06 0.70 0.14 1.90 4.57 -1.07 0.32 114.58 122.21 3hpf h GLU 181 Ca 0.27 -0.21 -0.21 0.00 -1.18 0.00 0.00 59.36 58.03 3hpf h GLU 181 Cb -0.02 -0.07 0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3hpf h GLU 181 CO -0.05 0.77 -0.98 1.49 -1.18 0.00 0.00 179.01 179.05 3hpf h GLU 182 N 0.55 0.30 0.00 1.92 4.81 -1.00 -3.39 114.58 117.77 3hpf h GLU 182 Ca 0.12 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3hpf h GLU 182 Cb 0.42 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3hpf h GLU 182 CO 0.01 1.25 -1.10 1.19 -0.73 0.00 0.00 179.01 179.63 3hpf n PHE 183 N -4.06 0.00 0.00 0.92 3.01 -0.12 -5.02 117.46 112.19 3hpf n PHE 183 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3hpf n PHE 183 Cb 0.86 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 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 1.47 0.56 0.13 1.37 0.00 0.10 -0.73 105.19 108.09 3hpf n GLY 184 Ca 0.03 0.58 0.01 0.00 0.00 0.00 0.00 46.02 46.64 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 8.89 1.55 0.26 1.61 3.41 -1.26 -4.64 113.62 123.43 3hpf n SER 185 Ca 0.00 -1.40 0.12 0.00 -0.26 0.00 0.00 58.87 57.34 3hpf n SER 185 Cb 0.00 -0.02 0.68 0.00 -0.26 0.00 0.00 64.21 64.62 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 0.53 0.00 -5.89 4.33 3.08 -1.34 -3.43 114.38 111.66 3hpf h ARG 186 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3hpf h ARG 186 Cb 0.26 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.05 3hpf h ARG 186 CO 0.00 0.14 -0.83 0.14 -1.07 0.00 0.00 179.97 178.35 3hpf s VAL 187 N -4.07 1.52 0.05 2.04 -7.23 -1.26 -4.86 120.40 106.59 3hpf s VAL 187 Ca -0.02 -1.17 0.09 0.00 -1.81 0.00 0.00 61.98 59.06 3hpf s VAL 187 Cb 0.12 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 3hpf s VAL 187 CO 0.59 0.13 -0.25 -0.13 -0.31 0.00 0.00 175.10 175.14 3hpf s ARG 188 N -1.22 1.63 -0.38 4.82 0.52 -0.28 -4.83 118.95 119.21 3hpf s ARG 188 Ca 0.06 -1.07 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 3hpf s ARG 188 Cb -0.09 -1.81 0.11 0.00 0.52 0.00 0.00 34.95 33.68 3hpf s ARG 188 CO 0.02 0.46 0.10 0.42 0.02 0.00 0.00 175.30 176.32 3hpf s ILE 189 N -0.82 2.22 -0.01 1.52 1.01 0.45 -0.19 121.20 125.37 3hpf s ILE 189 Ca 0.10 -2.49 0.29 0.00 0.00 0.00 0.00 60.65 58.56 3hpf s ILE 189 Cb -0.10 -2.62 0.34 0.00 0.01 0.00 0.00 42.46 40.10 3hpf s ILE 189 CO 0.02 -0.65 1.86 0.07 0.00 0.00 0.00 174.94 176.24 3hpf h LYS 190 N 7.39 0.00 -3.21 2.79 5.09 -1.14 -3.29 116.57 124.20 3hpf h LYS 190 Ca -0.05 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.54 3hpf h LYS 190 Cb 0.99 0.00 -0.23 0.00 0.10 0.00 0.00 32.23 33.09 3hpf h LYS 190 CO 0.55 0.06 -0.41 0.45 -2.09 0.00 0.00 179.45 178.01 3hpf s SER 191 N -5.92 -0.16 -0.27 7.07 0.15 -1.26 -0.31 113.70 113.00 3hpf s SER 191 Ca 0.02 0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.87 3hpf s SER 191 Cb 0.08 0.38 0.04 0.00 -1.71 0.00 0.00 66.02 64.81 3hpf s SER 191 CO 0.59 -0.26 -0.04 -0.31 1.20 0.00 0.00 173.24 174.42 3hpf s TYR 192 N -0.66 3.19 -0.34 3.44 2.02 -1.16 -0.71 117.35 123.13 3hpf s TYR 192 Ca -0.08 -1.83 -0.11 0.00 -0.37 0.00 0.00 57.07 54.68 3hpf s TYR 192 Cb -0.04 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.46 3hpf s TYR 192 CO 0.02 -0.79 0.20 0.34 -1.57 0.00 0.00 175.55 173.74 3hpf s ASP 193 N 1.25 5.77 0.07 2.29 -1.08 -0.07 -1.06 116.67 123.84 3hpf s ASP 193 Ca -0.04 -0.63 0.28 0.00 -0.52 0.00 0.00 52.55 51.63 3hpf s ASP 193 Cb -0.19 -2.06 0.99 0.00 -1.46 0.00 0.00 42.92 40.21 3hpf s ASP 193 CO -0.03 -0.27 1.80 0.49 0.52 0.00 0.00 175.17 177.68 3hpf n PHE 194 N 5.03 0.29 -3.06 -5.34 3.72 -0.22 -1.11 117.46 116.79 3hpf n PHE 194 Ca -0.13 0.09 -0.21 0.00 -0.05 0.00 0.00 57.45 57.14 3hpf n PHE 194 Cb 0.48 -0.61 0.01 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.75 -4.78 -1.64 4.37 7.64 -1.25 -1.77 113.62 114.45 3hpf n SER 195 Ca 0.06 -0.25 -0.21 0.00 1.01 0.00 0.00 58.87 59.48 3hpf n SER 195 Cb 0.37 -3.92 -0.09 0.00 -1.01 0.00 0.00 64.21 59.56 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 -4.09 -0.04 0.14 1.43 8.25 -0.82 -4.88 115.22 115.21 3hpf n HIS 196 Ca -0.08 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.39 3hpf n HIS 196 Cb 0.59 -3.51 0.15 0.00 1.12 0.00 0.00 29.99 28.34 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 -9.10 2.41 3.38 -1.58 -3.39 115.31 107.03 3hpf h LEU 197 Ca -0.43 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.87 3hpf h LEU 197 Cb 1.36 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.93 3hpf h LEU 197 CO 0.63 0.57 -0.80 -0.76 0.09 0.00 0.00 178.44 178.16 3hpf s LEU 198 N -6.99 2.69 0.70 1.67 1.43 -1.26 -5.02 118.68 111.90 3hpf s LEU 198 Ca 0.01 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 3hpf s LEU 198 Cb 0.10 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.82 3hpf s LEU 198 CO 0.74 0.17 1.09 0.54 0.23 0.00 0.00 176.35 179.12 3hpf s ASN 199 N -2.21 5.02 0.32 2.29 2.20 -1.26 -3.49 114.94 117.81 3hpf s ASN 199 Ca 0.18 1.85 0.04 0.00 -0.94 0.00 0.00 52.86 54.00 3hpf s ASN 199 Cb -0.10 -2.53 0.67 0.00 -2.00 0.00 0.00 41.25 37.28 3hpf s ASN 199 CO 0.10 -1.69 1.89 4.11 -2.94 0.00 0.00 177.10 178.57 3hpf h TRP 200 N -0.46 0.95 -0.46 1.54 5.08 -1.91 -1.18 115.95 119.51 3hpf h TRP 200 Ca -0.45 0.03 -0.13 0.00 1.08 0.00 0.00 58.89 59.42 3hpf h TRP 200 Cb 1.23 -0.31 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 3hpf h TRP 200 CO 0.57 0.42 -0.21 0.87 -1.28 0.00 0.00 178.44 178.81 3hpf h LYS 201 N 0.87 0.93 -0.48 0.12 1.57 -1.91 0.38 116.57 118.05 3hpf h LYS 201 Ca 0.42 -0.39 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 3hpf h LYS 201 Cb 0.46 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3hpf h LYS 201 CO -0.19 1.05 -0.07 -0.44 -0.57 0.00 0.00 179.45 179.23 3hpf h ASP 202 N 0.81 0.84 -0.36 0.86 3.32 -1.78 -2.27 116.42 117.84 3hpf h ASP 202 Ca 0.11 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 3hpf h ASP 202 Cb 0.77 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3hpf h ASP 202 CO 0.06 0.95 0.01 0.00 -1.72 0.00 0.00 179.24 178.54 3hpf h ALA 203 N 1.13 1.19 -0.41 3.45 0.00 -0.93 -1.80 119.26 121.89 3hpf h ALA 203 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hpf h ALA 203 Cb 0.57 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hpf h ALA 203 CO 0.03 0.53 0.26 1.25 0.00 0.00 0.00 179.25 181.33 3hpf h HIS 204 N 0.68 0.50 -0.47 0.00 -0.00 -0.37 0.57 115.15 116.05 3hpf h HIS 204 Ca 0.14 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.44 3hpf h HIS 204 Cb 0.40 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 3hpf h HIS 204 CO 0.02 0.30 -0.03 0.00 -0.00 0.00 0.00 177.93 178.22 3hpf h ARG 205 N 0.53 0.79 -0.13 5.26 3.08 -1.14 0.15 114.38 122.92 3hpf h ARG 205 Ca 0.16 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3hpf h ARG 205 Cb -0.03 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3hpf h ARG 205 CO -0.05 0.82 -0.01 0.00 -1.07 0.00 0.00 179.97 179.66 3hpf h ALA 206 N 1.23 0.18 -0.95 0.04 0.00 -0.69 -2.79 119.26 116.29 3hpf h ALA 206 Ca 0.14 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hpf h ALA 206 Cb 0.49 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3hpf h ALA 206 CO 0.02 -0.11 0.62 0.82 0.00 0.00 0.00 179.25 180.61 3hpf h ILE 207 N -0.03 1.24 -0.84 0.00 2.04 0.35 0.40 117.51 120.67 3hpf h ILE 207 Ca 0.04 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.49 3hpf h ILE 207 Cb 0.39 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 3hpf h ILE 207 CO 0.01 0.24 0.55 0.50 0.00 0.00 0.00 178.15 179.45 3hpf h LYS 208 N 1.28 0.99 0.14 2.37 3.64 -0.84 0.14 116.57 124.30 3hpf h LYS 208 Ca 0.35 -0.06 -0.33 0.00 -1.27 0.00 0.00 60.65 59.34 3hpf h LYS 208 Cb -0.14 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.45 3hpf h LYS 208 CO -0.07 0.65 -1.66 0.07 -2.27 0.00 0.00 179.45 176.17 3hpf h ARG 209 N 1.02 0.30 -0.17 1.90 0.11 -1.14 -3.36 114.38 113.04 3hpf h ARG 209 Ca 0.34 -0.52 -0.12 0.00 0.10 0.00 0.00 59.98 59.78 3hpf h ARG 209 Cb 0.09 0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 3hpf h ARG 209 CO -0.11 1.18 -0.43 -0.07 0.10 0.00 0.00 179.97 180.65 3hpf h LEU 210 N 0.08 0.42 0.00 0.08 3.38 -0.75 -2.82 115.31 115.70 3hpf h LEU 210 Ca -0.30 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hpf h LEU 210 Cb 2.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.69 3hpf h LEU 210 CO 0.16 0.80 0.00 0.35 0.09 0.00 0.00 178.44 179.84 3hpf n THR 211 N -4.01 0.00 0.53 0.22 -2.24 0.02 -1.65 114.28 107.15 3hpf n THR 211 Ca -0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 3hpf n THR 211 Cb 0.51 -0.55 0.45 0.00 -2.10 0.00 0.00 70.33 68.64 3hpf n THR 211 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hpf n LYS 212 N -0.85 0.18 -3.92 -0.78 4.76 -1.06 -4.21 118.16 112.27 3hpf n LYS 212 Ca 0.10 0.31 -0.34 0.00 -2.87 0.00 0.00 58.31 55.50 3hpf n LYS 212 Cb 0.05 -1.78 -0.14 0.00 -1.84 0.00 0.00 35.03 31.32 3hpf n LYS 212 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3hpf s TYR 213 N -3.19 3.47 -0.56 2.13 2.02 -0.66 -5.05 117.35 115.51 3hpf s TYR 213 Ca 0.07 -2.34 -0.01 0.00 -0.37 0.00 0.00 57.07 54.42 3hpf s TYR 213 Cb 0.11 -2.57 0.14 0.00 -0.40 0.00 0.00 41.96 39.24 3hpf s TYR 213 CO 0.45 -0.89 0.35 0.34 -1.57 0.00 0.00 175.55 174.23 3hpf s ASP 214 N 1.31 5.05 -1.03 2.29 -1.08 -1.26 -4.92 116.67 117.03 3hpf s ASP 214 Ca 0.02 -2.72 -0.03 0.00 -0.52 0.00 0.00 52.55 49.30 3hpf s ASP 214 Cb -0.20 -1.80 0.30 0.00 -1.46 0.00 0.00 42.92 39.76 3hpf s ASP 214 CO -0.04 -0.37 1.43 0.18 0.52 0.00 0.00 175.17 176.89 3hpf n LEU 215 N 3.63 6.22 -2.22 -1.34 4.32 -1.26 -4.61 117.00 121.75 3hpf n LEU 215 Ca 0.05 -5.25 -0.16 0.00 -0.02 0.00 0.00 56.01 50.63 3hpf n LEU 215 Cb 0.38 -1.20 0.03 0.00 -1.62 0.00 0.00 43.42 41.00 3hpf n LEU 215 CO 0.33 1.76 0.01 0.61 -1.22 0.00 0.00 177.39 178.87 3hpf n GLY 216 N 1.18 -0.17 3.74 -0.72 0.00 -1.26 -0.41 105.19 107.55 3hpf n GLY 216 Ca 0.27 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.89 4.36 -0.06 0.99 2.96 -1.24 -4.16 118.68 116.63 3hpf s LEU 217 Ca 0.22 2.84 0.08 0.00 -0.22 0.00 0.00 54.13 57.04 3hpf s LEU 217 Cb -0.10 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 3hpf s LEU 217 CO 0.27 -0.88 0.08 -0.62 -1.32 0.00 0.00 176.35 173.88 3hpf n GLU 218 N 2.95 1.93 -3.55 1.98 1.02 0.58 -4.99 120.64 120.56 3hpf n GLU 218 Ca 0.11 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.14 3hpf n GLU 218 Cb 0.37 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 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 -2.32 0.95 -0.19 3.49 0.23 -0.50 -4.18 119.30 116.78 3hpf s MET 219 Ca -0.04 -0.40 -0.01 0.00 -1.03 0.00 0.00 55.69 54.21 3hpf s MET 219 Cb 0.03 0.41 0.01 0.00 -1.53 0.00 0.00 34.83 33.75 3hpf s MET 219 CO 0.34 -0.42 -0.14 0.42 -2.03 0.00 0.00 175.02 173.18 3hpf s ILE 220 N -3.22 2.56 -0.10 3.16 -1.09 -0.38 -2.96 121.20 119.17 3hpf s ILE 220 Ca 0.06 -0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 57.68 3hpf s ILE 220 Cb -0.01 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 3hpf s ILE 220 CO -0.07 0.50 0.04 -0.70 -1.23 0.00 0.00 174.94 173.48 3hpf s GLU 221 N 1.33 3.15 -1.48 2.79 2.12 -0.22 -1.02 118.70 125.37 3hpf s GLU 221 Ca 0.05 -0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.01 3hpf s GLU 221 Cb -0.14 -2.92 0.04 0.00 0.26 0.00 0.00 34.13 31.37 3hpf s GLU 221 CO -0.09 0.71 0.47 0.43 -0.54 0.00 0.00 175.26 176.24 3hpf n SER 222 N 2.15 -0.93 -0.49 -1.70 7.64 -0.22 -1.05 113.62 119.02 3hpf n SER 222 Ca -0.19 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.67 3hpf n SER 222 Cb 0.54 -2.90 0.00 0.00 -1.01 0.00 0.00 64.21 60.84 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 -4.42 0.89 -3.90 1.43 -0.04 -1.26 -1.95 135.00 125.74 3hpf n PRO 223 Ca -0.22 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.14 3hpf n PRO 223 Cb 0.64 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.02 -0.26 0.96 0.55 0.00 -1.26 -4.17 121.76 116.57 3hpf s ALA 224 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 3hpf s ALA 224 Cb 0.00 0.86 0.15 0.00 0.00 0.00 0.00 23.12 24.14 3hpf s ALA 224 CO 0.00 -0.70 1.03 -2.30 0.00 0.00 0.00 175.76 173.79 3hpf n PRO 225 N -0.25 -0.73 -1.72 0.00 -0.02 -1.23 -4.24 135.00 126.81 3hpf n PRO 225 Ca -0.08 -0.15 -0.43 0.00 -2.02 0.00 0.00 63.50 60.82 3hpf n PRO 225 Cb 0.63 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 3hpf n PRO 225 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hpf n ARG 226 N -4.03 2.53 -1.37 -0.52 1.74 -1.26 -2.07 116.66 111.68 3hpf n ARG 226 Ca 0.10 0.90 -0.13 0.00 -0.77 0.00 0.00 57.85 57.96 3hpf n ARG 226 Cb 0.53 -2.67 -0.05 0.00 -1.02 0.00 0.00 32.46 29.24 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 2.59 -5.14 -3.97 0.55 3.02 -1.26 -4.91 115.26 106.13 3hpf n ASN 227 Ca 0.11 0.31 -0.43 0.00 -0.03 0.00 0.00 54.58 54.55 3hpf n ASN 227 Cb 0.35 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 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 -0.76 5.11 -0.30 6.41 2.03 -0.88 -4.79 116.55 123.38 3hpf n ASP 228 Ca -0.13 -3.09 0.01 0.00 0.52 0.00 0.00 54.79 52.10 3hpf n ASP 228 Cb 0.52 -1.49 0.14 0.00 -0.72 0.00 0.00 41.12 39.56 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 5.98 0.95 -0.44 -0.67 0.04 -1.91 -1.46 116.94 119.44 3hpf h PHE 229 Ca 0.38 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 61.08 3hpf h PHE 229 Cb 0.67 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3hpf h PHE 229 CO 1.23 0.47 -0.11 0.22 -0.60 0.00 0.00 178.31 179.51 3hpf h ASP 230 N 0.93 0.79 -0.45 2.17 3.58 -1.98 -1.77 116.42 119.69 3hpf h ASP 230 Ca 0.37 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 3hpf h ASP 230 Cb 0.19 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 3hpf h ASP 230 CO -0.18 0.92 0.13 1.23 -2.88 0.00 0.00 179.24 178.46 3hpf h GLY 231 N 0.97 0.77 1.01 -0.78 0.00 -1.80 -0.82 103.07 102.42 3hpf h GLY 231 Ca 0.12 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3hpf h GLY 231 CO 0.04 0.43 0.43 1.41 0.00 0.00 0.00 176.54 178.86 3hpf h LEU 232 N 0.60 0.76 -0.12 3.11 3.38 -1.12 -1.07 115.31 120.85 3hpf h LEU 232 Ca 0.14 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hpf h LEU 232 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3hpf h LEU 232 CO -0.00 0.56 0.06 0.22 0.09 0.00 0.00 178.44 179.36 3hpf h TYR 233 N 0.89 0.16 -0.88 1.13 3.20 -1.02 0.14 116.97 120.60 3hpf h TYR 233 Ca 0.24 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3hpf h TYR 233 Cb -0.09 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 3hpf h TYR 233 CO -0.03 0.20 0.58 1.96 -1.64 0.00 0.00 178.16 179.23 3hpf h GLN 234 N 0.08 1.13 -0.05 1.82 1.08 -0.91 -1.68 115.11 116.58 3hpf h GLN 234 Ca 0.04 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 57.02 3hpf h GLN 234 Cb 0.09 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 3hpf h GLN 234 CO -0.01 0.75 -0.64 1.25 -0.95 0.00 0.00 178.83 179.23 3hpf h LEU 235 N 1.16 0.21 -1.56 1.46 5.85 -0.93 -2.82 115.31 118.68 3hpf h LEU 235 Ca 0.33 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3hpf h LEU 235 Cb -0.10 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3hpf h LEU 235 CO -0.08 0.79 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.50 3hpf h ARG 236 N 0.13 0.00 0.00 1.25 2.43 0.18 -0.74 114.38 117.63 3hpf h ARG 236 Ca -0.01 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3hpf h ARG 236 Cb 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3hpf h ARG 236 CO 0.10 0.23 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.29 3hpf h LEU 237 N 0.00 0.00 -0.91 3.80 4.07 -1.16 -3.29 115.31 117.82 3hpf h LEU 237 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hpf h LEU 237 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3hpf h LEU 237 CO 0.03 0.30 -0.49 0.29 -1.08 0.00 0.00 178.44 177.49 3hpf n LYS 238 N -3.12 1.23 -4.77 1.13 5.02 -0.89 -4.93 118.16 111.83 3hpf n LYS 238 Ca 0.02 -0.89 -0.33 0.00 -2.02 0.00 0.00 58.31 55.08 3hpf n LYS 238 Cb 0.66 -1.44 -0.14 0.00 -0.02 0.00 0.00 35.03 34.09 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 -2.41 3.12 0.19 -0.18 2.01 -0.33 -5.00 115.64 113.03 3hpf s THR 239 Ca 0.17 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 3hpf s THR 239 Cb 0.17 -2.30 -0.09 0.00 0.01 0.00 0.00 72.50 70.29 3hpf s THR 239 CO 0.56 0.53 1.46 0.44 -0.69 0.00 0.00 174.62 176.92 3hpf h ASP 240 N 6.49 0.45 -4.08 3.53 3.45 -1.90 -3.45 116.42 120.91 3hpf h ASP 240 Ca -0.29 -0.28 -0.47 0.00 0.43 0.00 0.00 57.03 56.41 3hpf h ASP 240 Cb 1.20 -0.13 0.03 0.00 -0.56 0.00 0.00 39.33 39.87 3hpf h ASP 240 CO 0.55 1.01 0.38 -0.31 -1.57 0.00 0.00 179.24 179.31 3hpf s TYR 241 N -3.65 3.02 0.49 4.55 2.02 -1.26 -5.00 117.35 117.51 3hpf s TYR 241 Ca -0.05 1.57 -0.23 0.00 -0.37 0.00 0.00 57.07 57.99 3hpf s TYR 241 Cb 0.11 -3.05 -0.07 0.00 -0.40 0.00 0.00 41.96 38.55 3hpf s TYR 241 CO 0.83 -0.80 1.29 -2.14 -1.57 0.00 0.00 175.55 173.16 3hpf s PRO 242 N -3.29 3.53 -0.19 -1.71 0.02 -1.26 -4.82 135.00 127.27 3hpf s PRO 242 Ca 0.67 2.08 -0.08 0.00 0.02 0.00 0.00 61.00 63.68 3hpf s PRO 242 Cb -0.16 -2.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.90 3hpf s PRO 242 CO 0.21 -0.83 0.08 0.42 -0.33 0.00 0.00 177.00 176.55 3hpf s ILE 243 N -1.37 4.84 0.10 2.83 -1.09 -1.26 -1.25 121.20 124.01 3hpf s ILE 243 Ca 0.66 -0.01 0.09 0.00 -2.23 0.00 0.00 60.65 59.16 3hpf s ILE 243 Cb -0.36 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 3hpf s ILE 243 CO 0.44 0.44 -0.22 -0.94 -1.23 0.00 0.00 174.94 173.42 3hpf s SER 244 N 0.55 3.58 -0.01 3.58 1.04 -0.19 -0.64 113.70 121.61 3hpf s SER 244 Ca 0.04 -0.61 -0.13 0.00 0.48 0.00 0.00 55.95 55.74 3hpf s SER 244 Cb -0.13 -0.41 0.02 0.00 0.10 0.00 0.00 66.02 65.60 3hpf s SER 244 CO 0.01 0.20 0.26 -0.70 0.98 0.00 0.00 173.24 173.99 3hpf s GLU 245 N -1.88 0.61 0.44 4.02 2.56 -0.96 -1.05 118.70 122.44 3hpf s GLU 245 Ca 0.15 -0.26 -0.22 0.00 0.00 0.00 0.00 54.97 54.64 3hpf s GLU 245 Cb -0.10 0.27 -0.08 0.00 2.00 0.00 0.00 34.13 36.21 3hpf s GLU 245 CO 0.07 -0.16 1.06 -1.01 -0.56 0.00 0.00 175.26 174.66 3hpf s HIS 246 N -1.35 3.10 -0.37 5.30 3.76 -1.26 -0.67 115.29 123.81 3hpf s HIS 246 Ca -0.14 1.60 -0.12 0.00 -0.15 0.00 0.00 55.06 56.26 3hpf s HIS 246 Cb -0.06 -3.14 0.02 0.00 1.11 0.00 0.00 32.58 30.51 3hpf s HIS 246 CO 0.03 -0.84 0.22 0.08 -0.85 0.00 0.00 174.74 173.39 3hpf s VAL 247 N -1.77 4.79 -0.69 -0.90 1.01 -0.41 -4.86 120.40 117.57 3hpf s VAL 247 Ca 0.63 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 62.00 3hpf s VAL 247 Cb -0.21 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3hpf s VAL 247 CO 0.25 -0.18 0.52 -2.67 0.00 0.00 0.00 175.10 173.02 3hpf n TRP 248 N 5.04 0.00 -3.50 5.22 2.14 -1.26 -4.33 117.44 120.74 3hpf n TRP 248 Ca -0.12 0.00 -0.14 0.00 2.07 0.00 0.00 57.50 59.31 3hpf n TRP 248 Cb 0.47 0.00 -0.04 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 -1.37 -0.55 0.20 -0.67 1.04 -1.26 -4.66 113.70 106.42 3hpf s SER 249 Ca 0.06 0.40 -0.08 0.00 0.48 0.00 0.00 55.95 56.81 3hpf s SER 249 Cb 0.07 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.80 3hpf s SER 249 CO 0.25 -0.65 1.70 -0.26 0.98 0.00 0.00 173.24 175.26 3hpf h PHE 250 N 2.55 1.18 -0.44 5.02 0.04 -1.96 -0.94 116.94 122.40 3hpf h PHE 250 Ca -0.26 -0.16 0.02 0.00 2.80 0.00 0.00 57.97 60.37 3hpf h PHE 250 Cb 1.20 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 3hpf h PHE 250 CO 0.31 0.98 0.25 -0.22 -0.60 0.00 0.00 178.31 179.04 3hpf h LYS 251 N 1.05 0.49 -0.70 1.51 1.63 -1.99 0.20 116.57 118.77 3hpf h LYS 251 Ca 0.21 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 3hpf h LYS 251 Cb 0.42 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 3hpf h LYS 251 CO 0.01 0.33 0.27 0.37 -3.45 0.00 0.00 179.45 176.98 3hpf h GLN 252 N 0.51 1.05 -0.37 1.90 4.15 -1.91 -1.43 115.11 119.01 3hpf h GLN 252 Ca 0.18 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 3hpf h GLN 252 Cb 0.02 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 3hpf h GLN 252 CO -0.09 0.87 0.05 0.37 -1.93 0.00 0.00 178.83 178.11 3hpf h GLN 253 N 1.00 0.62 -0.39 1.69 4.15 -0.58 -1.94 115.11 119.65 3hpf h GLN 253 Ca 0.23 -0.17 0.05 0.00 0.77 0.00 0.00 58.65 59.54 3hpf h GLN 253 Cb 0.22 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 3hpf h GLN 253 CO -0.02 0.68 0.11 0.37 -1.93 0.00 0.00 178.83 178.05 3hpf h GLN 254 N 0.45 0.25 -0.67 1.69 4.15 -0.40 -0.88 115.11 119.71 3hpf h GLN 254 Ca 0.11 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 3hpf h GLN 254 Cb 0.37 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 3hpf h GLN 254 CO 0.01 0.17 0.30 0.93 -1.93 0.00 0.00 178.83 178.30 3hpf h GLU 255 N 0.26 0.96 -0.14 1.69 4.39 -1.08 -0.50 114.58 120.15 3hpf h GLU 255 Ca 0.19 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 3hpf h GLU 255 Cb 0.19 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3hpf h GLU 255 CO -0.21 0.76 -0.49 0.52 -1.16 0.00 0.00 179.01 178.43 3hpf h MET 256 N 0.95 0.36 0.08 2.33 2.86 -0.68 -2.18 114.93 118.65 3hpf h MET 256 Ca 0.23 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3hpf h MET 256 Cb 0.14 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3hpf h MET 256 CO -0.03 0.77 -0.04 0.82 1.06 0.00 0.00 176.91 179.49 3hpf h ILE 257 N 0.29 1.15 -0.45 -1.22 2.04 -0.71 -1.12 117.51 117.48 3hpf h ILE 257 Ca 0.01 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 65.00 3hpf h ILE 257 Cb 0.96 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 3hpf h ILE 257 CO 0.08 0.23 0.30 0.11 0.00 0.00 0.00 178.15 178.87 3hpf h LYS 258 N -0.55 0.38 -0.02 2.37 1.57 -1.08 -1.06 116.57 118.18 3hpf h LYS 258 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3hpf h LYS 258 Cb 0.46 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3hpf h LYS 258 CO 0.02 0.25 -0.05 1.63 -0.57 0.00 0.00 179.45 180.73 3hpf n LYS 259 N -4.48 1.80 -4.01 3.15 5.02 -0.82 -4.93 118.16 113.89 3hpf n LYS 259 Ca 0.06 -1.27 -0.32 0.00 -2.02 0.00 0.00 58.31 54.76 3hpf n LYS 259 Cb 0.24 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.51 -3.87 0.09 4.39 8.00 -0.40 -4.86 116.55 120.41 3hpf n ASP 260 Ca 0.16 -0.87 -0.02 0.00 0.71 0.00 0.00 54.79 54.77 3hpf n ASP 260 Cb 0.45 -3.48 0.23 0.00 -0.02 0.00 0.00 41.12 38.31 3hpf n ASP 260 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hpf h ALA 261 N 0.94 1.13 -2.17 2.24 0.00 -1.50 -3.45 119.26 116.45 3hpf h ALA 261 Ca -0.59 -0.39 -0.42 0.00 0.00 0.00 0.00 54.91 53.50 3hpf h ALA 261 Cb 1.38 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 3hpf h ALA 261 CO 0.70 0.57 -0.58 0.96 0.00 0.00 0.00 179.25 180.90 3hpf s ILE 262 N -4.20 0.64 -0.17 0.00 -4.36 -1.26 -3.36 121.20 108.50 3hpf s ILE 262 Ca -0.05 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.40 3hpf s ILE 262 Cb 0.13 -2.60 -0.14 0.00 1.25 0.00 0.00 42.46 41.11 3hpf s ILE 262 CO 0.77 0.00 -0.08 0.47 0.24 0.00 0.00 174.94 176.34 3hpf n ASP 263 N -0.76 2.14 -4.05 4.36 10.43 0.19 -4.96 116.55 123.89 3hpf n ASP 263 Ca -0.01 -0.06 -0.27 0.00 2.57 0.00 0.00 54.79 57.02 3hpf n ASP 263 Cb 0.66 0.18 -0.17 0.00 1.84 0.00 0.00 41.12 43.63 3hpf n ASP 263 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hpf s ILE 264 N -2.36 1.40 -0.33 0.53 1.01 -0.58 -3.33 121.20 117.54 3hpf s ILE 264 Ca -0.17 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 59.71 3hpf s ILE 264 Cb 0.05 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 3hpf s ILE 264 CO 0.49 0.42 0.44 -0.36 0.00 0.00 0.00 174.94 175.92 3hpf s PHE 265 N 0.86 3.20 -0.44 3.97 0.08 -0.06 -2.27 117.98 123.32 3hpf s PHE 265 Ca -0.10 0.14 -0.25 0.00 0.12 0.00 0.00 56.93 56.85 3hpf s PHE 265 Cb -0.15 -2.77 0.02 0.00 -0.57 0.00 0.00 43.02 39.55 3hpf s PHE 265 CO 0.01 -0.45 0.89 1.21 -0.10 0.00 0.00 175.22 176.78 3hpf s ASN 266 N 1.73 6.51 -0.09 1.36 3.04 0.16 -1.45 114.94 126.19 3hpf s ASN 266 Ca 0.16 0.15 0.03 0.00 0.04 0.00 0.00 52.86 53.23 3hpf s ASN 266 Cb -0.16 -2.44 -0.01 0.00 -1.54 0.00 0.00 41.25 37.10 3hpf s ASN 266 CO 0.12 -0.99 -0.19 -0.63 -3.04 0.00 0.00 177.10 172.37 3hpf s ILE 267 N 3.60 2.53 -0.08 -5.21 1.01 0.11 -1.29 121.20 121.87 3hpf s ILE 267 Ca 0.36 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3hpf s ILE 267 Cb -0.11 -2.00 0.04 0.00 0.01 0.00 0.00 42.46 40.40 3hpf s ILE 267 CO 0.24 0.55 0.19 -0.55 0.00 0.00 0.00 174.94 175.37 3hpf s SER 268 N 0.09 -0.18 0.25 3.58 0.15 -1.26 -0.90 113.70 115.42 3hpf s SER 268 Ca -0.09 0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.86 3hpf s SER 268 Cb -0.15 0.31 0.39 0.00 -1.71 0.00 0.00 66.02 64.86 3hpf s SER 268 CO 0.06 -0.13 1.60 -0.65 1.20 0.00 0.00 173.24 175.32 3hpf h PRO 269 N 6.87 0.02 -0.85 5.44 0.11 -1.89 -2.42 132.00 139.28 3hpf h PRO 269 Ca -0.38 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.81 3hpf h PRO 269 Cb 1.16 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3hpf h PRO 269 CO 0.40 0.01 0.55 -0.24 -0.21 0.00 0.00 178.00 178.52 3hpf h VAL 270 N 0.02 1.01 0.00 3.15 3.04 -1.89 0.19 116.25 121.77 3hpf h VAL 270 Ca 0.41 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 3hpf h VAL 270 Cb 0.67 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 3hpf h VAL 270 CO -0.80 0.16 -0.32 0.49 -1.01 0.00 0.00 177.57 176.09 3hpf n PHE 271 N -4.50 0.14 0.17 3.17 3.72 -0.92 -3.50 117.46 115.74 3hpf n PHE 271 Ca 0.13 0.04 0.02 0.00 -0.05 0.00 0.00 57.45 57.60 3hpf n PHE 271 Cb 0.26 -0.44 0.01 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.64 0.00 0.00 4.37 0.13 -0.98 -4.46 119.36 116.78 3hpf n ILE 272 Ca 0.06 -0.49 0.00 0.00 -1.10 0.00 0.00 62.75 61.22 3hpf n ILE 272 Cb 0.36 1.07 0.00 0.00 -0.84 0.00 0.00 39.64 40.23 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 0.36 1.14 0.00 4.50 0.00 -0.31 -4.72 105.19 106.15 3hpf n GLY 273 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.54 0.78 0.26 -0.02 0.00 0.53 -2.47 105.19 102.72 3hpf n GLY 274 Ca 0.00 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 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 0.91 -0.14 0.99 3.38 -1.85 -0.22 115.31 118.38 3hpf h LEU 275 Ca 0.00 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.57 3hpf h LEU 275 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3hpf h LEU 275 CO 0.00 1.12 0.07 0.74 0.09 0.00 0.00 178.44 180.46 3hpf h THR 276 N 0.71 1.00 -0.24 0.22 2.02 -1.90 0.36 112.91 115.08 3hpf h THR 276 Ca 0.09 -0.05 -0.14 0.00 0.77 0.00 0.00 66.41 67.08 3hpf h THR 276 Cb 0.78 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3hpf h THR 276 CO 0.06 0.03 -0.44 0.28 0.37 0.00 0.00 175.52 175.82 3hpf h SER 277 N 0.15 0.63 -0.29 4.18 0.02 -1.83 -2.24 113.55 114.17 3hpf h SER 277 Ca 0.05 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.62 3hpf h SER 277 Cb 0.01 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3hpf h SER 277 CO -0.04 0.99 -0.11 0.00 -1.14 0.00 0.00 176.83 176.53 3hpf h ALA 278 N 1.04 1.07 -0.33 3.77 0.00 -0.79 -1.18 119.26 122.84 3hpf h ALA 278 Ca 0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3hpf h ALA 278 Cb 0.96 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3hpf h ALA 278 CO 0.09 0.57 0.02 0.87 0.00 0.00 0.00 179.25 180.80 3hpf h LYS 279 N 0.64 0.56 -0.53 0.00 1.57 -0.75 0.26 116.57 118.32 3hpf h LYS 279 Ca 0.11 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3hpf h LYS 279 Cb 0.56 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 3hpf h LYS 279 CO 0.03 0.67 0.31 0.87 -0.57 0.00 0.00 179.45 180.77 3hpf h LYS 280 N 0.37 0.60 -0.69 3.15 1.57 -1.15 0.13 116.57 120.55 3hpf h LYS 280 Ca 0.10 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3hpf h LYS 280 Cb 0.40 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3hpf h LYS 280 CO 0.01 0.39 0.26 0.00 -0.57 0.00 0.00 179.45 179.55 3hpf h ALA 281 N 1.24 0.89 -0.62 3.86 0.00 -1.03 0.04 119.26 123.64 3hpf h ALA 281 Ca 0.22 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hpf h ALA 281 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3hpf h ALA 281 CO -0.10 0.52 0.01 0.00 0.00 0.00 0.00 179.25 179.68 3hpf h ALA 282 N 1.12 0.83 -0.09 0.00 0.00 -0.34 -1.55 119.26 119.24 3hpf h ALA 282 Ca 0.23 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3hpf h ALA 282 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hpf h ALA 282 CO -0.02 0.67 -0.56 1.88 0.00 0.00 0.00 179.25 181.23 3hpf h TYR 283 N 0.99 0.33 -0.51 0.00 0.05 -0.51 -0.93 116.97 116.40 3hpf h TYR 283 Ca 0.18 -0.12 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 3hpf h TYR 283 Cb 0.55 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 3hpf h TYR 283 CO 0.04 0.76 -0.06 0.00 -1.05 0.00 0.00 178.16 177.85 3hpf h ALA 284 N 1.21 0.93 -0.49 3.88 0.00 -0.75 0.12 119.26 124.16 3hpf h ALA 284 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3hpf h ALA 284 Cb 1.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hpf h ALA 284 CO 0.09 0.63 0.12 0.00 0.00 0.00 0.00 179.25 180.08 3hpf h ALA 285 N 1.10 0.65 -0.68 0.00 0.00 -0.99 -2.16 119.26 117.17 3hpf h ALA 285 Ca 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hpf h ALA 285 Cb 0.57 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hpf h ALA 285 CO 0.03 0.35 0.32 1.49 0.00 0.00 0.00 179.25 181.44 3hpf h GLU 286 N 0.68 0.99 -0.16 0.00 4.81 -0.67 0.36 114.58 120.59 3hpf h GLU 286 Ca 0.15 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3hpf h GLU 286 Cb 0.34 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3hpf h GLU 286 CO 0.00 0.80 -0.01 0.28 -0.73 0.00 0.00 179.01 179.35 3hpf h VAL 287 N 0.95 1.11 -0.40 0.32 2.07 -0.57 -1.32 116.25 118.41 3hpf h VAL 287 Ca 0.23 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3hpf h VAL 287 Cb 0.14 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3hpf h VAL 287 CO -0.03 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.71 3hpf n ALA 288 N -2.50 2.56 -3.47 1.67 0.00 -0.72 -4.92 120.51 113.12 3hpf n ALA 288 Ca -0.01 -0.78 -0.25 0.00 0.00 0.00 0.00 53.44 52.41 3hpf n ALA 288 Cb 0.18 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 0.66 -5.37 -4.73 0.00 7.64 -0.50 -4.98 113.62 106.34 3hpf n SER 289 Ca 0.14 -0.50 -0.30 0.00 1.01 0.00 0.00 58.87 59.21 3hpf n SER 289 Cb 0.41 -4.31 -0.07 0.00 -1.01 0.00 0.00 64.21 59.23 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 -6.17 2.74 0.50 1.43 -0.14 0.04 -5.02 119.74 113.12 3hpf s LYS 290 Ca 0.49 -0.75 -0.18 0.00 -1.36 0.00 0.00 55.97 54.17 3hpf s LYS 290 Cb -0.24 -2.65 -0.08 0.00 -1.68 0.00 0.00 37.83 33.19 3hpf s LYS 290 CO 0.61 0.56 0.99 -0.51 -0.76 0.00 0.00 175.35 176.23 3hpf s ASP 291 N -2.32 6.59 0.08 2.83 -0.00 -1.21 -4.33 116.67 118.31 3hpf s ASP 291 Ca 0.27 1.66 0.05 0.00 -0.00 0.00 0.00 52.55 54.54 3hpf s ASP 291 Cb -0.12 -2.52 -0.03 0.00 -0.00 0.00 0.00 42.92 40.25 3hpf s ASP 291 CO 0.20 -0.61 -0.14 -0.69 -0.00 0.00 0.00 175.17 173.93 3hpf s VAL 292 N -2.44 1.19 0.00 -1.27 1.01 -0.25 -0.88 120.40 117.76 3hpf s VAL 292 Ca 0.61 -1.42 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3hpf s VAL 292 Cb -0.11 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 3hpf s VAL 292 CO 0.26 -0.27 -0.06 0.68 0.00 0.00 0.00 175.10 175.71 3hpf s VAL 293 N -1.50 0.48 -0.42 2.92 -7.23 -0.53 -4.06 120.40 110.05 3hpf s VAL 293 Ca 0.01 -0.40 -0.27 0.00 -1.81 0.00 0.00 61.98 59.51 3hpf s VAL 293 Cb -0.09 -0.43 0.02 0.00 0.56 0.00 0.00 36.38 36.45 3hpf s VAL 293 CO 0.02 0.03 1.01 -0.22 -0.31 0.00 0.00 175.10 175.64 3hpf s LEU 294 N -0.41 3.88 0.00 1.32 2.96 -1.26 -0.71 118.68 124.46 3hpf s LEU 294 Ca 0.00 0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 3hpf s LEU 294 Cb -0.04 -3.36 0.05 0.00 0.50 0.00 0.00 46.19 43.34 3hpf s LEU 294 CO -0.00 -1.04 0.31 0.61 -1.32 0.00 0.00 176.35 174.91 3hpf n GLY 295 N 4.63 -0.20 3.45 7.98 0.00 -0.08 -1.16 105.19 119.81 3hpf n GLY 295 Ca 0.09 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.18 0.00 -0.76 2.61 -1.32 -1.26 -4.35 115.64 109.38 3hpf s THR 296 Ca 0.19 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.73 3hpf s THR 296 Cb -0.01 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.02 3hpf s THR 296 CO 0.13 0.00 0.64 1.07 -2.21 0.00 0.00 174.62 174.25 3hpf n THR 297 N -0.12 0.00 -1.75 5.08 5.66 -1.26 -5.00 114.28 116.88 3hpf n THR 297 Ca -0.16 -0.48 -0.01 0.00 -3.05 0.00 0.00 64.05 60.35 3hpf n THR 297 Cb 0.63 1.12 0.00 0.00 -1.55 0.00 0.00 70.33 70.53 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 0.15 -0.62 -3.20 1.09 1.13 -1.26 -4.89 117.38 109.79 3hpf n GLN 298 Ca 0.04 0.91 -0.20 0.00 -1.94 0.00 0.00 57.00 55.81 3hpf n GLN 298 Cb 0.16 -2.06 0.02 0.00 0.11 0.00 0.00 30.24 28.47 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 -0.72 2.50 0.40 -1.09 1.03 -1.26 -4.70 118.70 114.85 3hpf s GLU 299 Ca 0.02 -1.55 -0.06 0.00 0.03 0.00 0.00 54.97 53.41 3hpf s GLU 299 Cb -0.01 -2.58 0.09 0.00 -0.80 0.00 0.00 34.13 30.83 3hpf s GLU 299 CO 0.16 -0.56 0.54 1.28 -1.33 0.00 0.00 175.26 175.35 3hpf n LEU 300 N -1.97 0.00 0.06 1.83 4.77 -1.26 -3.46 117.00 116.96 3hpf n LEU 300 Ca 0.10 -0.64 0.04 0.00 -0.03 0.00 0.00 56.01 55.47 3hpf n LEU 300 Cb 0.61 -0.41 0.43 0.00 -2.33 0.00 0.00 43.42 41.73 3hpf n LEU 300 CO 0.40 -0.87 1.07 0.28 -1.33 0.00 0.00 177.39 176.94 3hpf h SER 301 N -0.67 0.36 -0.03 -1.43 0.02 -1.96 -0.07 113.55 109.76 3hpf h SER 301 Ca -0.17 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3hpf h SER 301 Cb 0.50 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3hpf h SER 301 CO 0.13 0.33 0.00 0.58 -1.14 0.00 0.00 176.83 176.73 3hpf h VAL 302 N 0.41 1.22 -0.29 2.27 2.07 -1.96 0.35 116.25 120.33 3hpf h VAL 302 Ca 0.10 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 3hpf h VAL 302 Cb 0.07 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3hpf h VAL 302 CO -0.01 0.18 -0.19 1.23 0.02 0.00 0.00 177.57 178.80 3hpf h GLY 303 N -0.21 0.56 1.26 2.17 0.00 -1.84 -2.44 103.07 102.57 3hpf h GLY 303 Ca 0.01 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.74 3hpf h GLY 303 CO 0.00 0.39 -0.52 -0.84 0.00 0.00 0.00 176.54 175.57 3hpf h THR 304 N 0.47 1.29 -0.57 4.70 2.02 -0.89 -2.75 112.91 117.18 3hpf h THR 304 Ca 0.08 -1.72 -0.02 0.00 0.77 0.00 0.00 66.41 65.52 3hpf h THR 304 Cb 0.59 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 3hpf h THR 304 CO 0.04 0.55 0.29 0.00 0.37 0.00 0.00 175.52 176.77 3hpf h ALA 305 N 0.80 0.73 -0.18 6.16 0.00 -0.76 -0.49 119.26 125.53 3hpf h ALA 305 Ca 0.02 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hpf h ALA 305 Cb 1.10 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3hpf h ALA 305 CO 0.11 0.28 -0.11 0.00 0.00 0.00 0.00 179.25 179.53 3hpf h ALA 306 N 1.12 0.04 0.00 0.00 0.00 -1.34 -1.66 119.26 117.41 3hpf h ALA 306 Ca 0.20 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3hpf h ALA 306 Cb 0.09 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hpf h ALA 306 CO -0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 179.25 178.39 3hpf h MET 307 N -0.10 0.00 -0.54 0.00 -0.00 -1.31 -2.74 114.93 110.24 3hpf h MET 307 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.71 3hpf h MET 307 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.84 3hpf h MET 307 CO -0.24 0.29 -0.04 0.00 -0.00 0.00 0.00 176.91 176.92 3hpf h ALA 308 N 1.71 0.73 -0.40 -3.00 0.00 -0.29 0.22 119.26 118.22 3hpf h ALA 308 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3hpf h ALA 308 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hpf h ALA 308 CO 0.04 0.58 0.11 0.45 0.00 0.00 0.00 179.25 180.43 3hpf h HIS 309 N 0.85 0.66 0.15 0.00 3.86 -1.12 -1.93 115.15 117.62 3hpf h HIS 309 Ca 0.15 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3hpf h HIS 309 Cb 0.58 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3hpf h HIS 309 CO 0.04 0.63 -0.07 1.25 0.86 0.00 0.00 177.93 180.64 3hpf h LEU 310 N 0.51 -0.17 -1.16 2.43 6.46 -1.28 -3.03 115.31 119.07 3hpf h LEU 310 Ca 0.13 -0.13 0.11 0.00 -0.12 0.00 0.00 57.88 57.86 3hpf h LEU 310 Cb 0.29 0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.19 3hpf h LEU 310 CO -0.00 0.03 0.59 1.23 -0.62 0.00 0.00 178.44 179.67 3hpf h GLY 311 N -0.36 1.36 1.22 3.75 0.00 -0.54 -0.43 103.07 108.07 3hpf h GLY 311 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3hpf h GLY 311 CO 0.03 0.18 0.00 0.00 0.00 0.00 0.00 176.54 176.75 3hpf n SER 313 N -1.11 0.84 -4.81 0.00 3.41 -0.18 -0.01 113.62 111.76 3hpf n SER 313 Ca 0.18 -0.72 -0.38 0.00 -0.26 0.00 0.00 58.87 57.69 3hpf n SER 313 Cb 0.14 1.17 -0.06 0.00 -0.26 0.00 0.00 64.21 65.20 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 -3.11 4.47 0.01 1.04 1.43 -1.15 -4.68 118.68 116.69 3hpf s LEU 314 Ca 0.04 1.33 0.23 0.00 -1.03 0.00 0.00 54.13 54.70 3hpf s LEU 314 Cb 0.13 -3.18 0.16 0.00 0.03 0.00 0.00 46.19 43.33 3hpf s LEU 314 CO 0.72 0.18 1.16 0.35 0.23 0.00 0.00 176.35 178.99 3hpf n THR 315 N 1.32 0.03 -1.33 5.49 -2.24 -1.26 -4.37 114.28 111.93 3hpf n THR 315 Ca -0.07 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 3hpf n THR 315 Cb 0.51 0.50 0.20 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.59 3.16 -4.25 3.42 6.94 -1.26 -4.84 115.26 116.85 3hpf n ASN 316 Ca 0.04 -3.65 -0.40 0.00 -0.02 0.00 0.00 54.58 50.55 3hpf n ASN 316 Cb 0.35 -0.72 -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 -3.24 4.16 -0.13 1.53 1.01 -1.26 -1.09 121.20 122.17 3hpf s ILE 317 Ca 0.50 -1.52 0.15 0.00 0.00 0.00 0.00 60.65 59.78 3hpf s ILE 317 Cb 0.44 -3.60 0.31 0.00 0.01 0.00 0.00 42.46 39.62 3hpf s ILE 317 CO 0.05 -0.57 1.16 0.59 0.00 0.00 0.00 174.94 176.17 3hpf n ASN 318 N 4.89 1.75 -4.25 3.58 3.02 -1.26 -5.03 115.26 117.97 3hpf n ASN 318 Ca -0.09 -3.15 -0.14 0.00 -0.03 0.00 0.00 54.58 51.17 3hpf n ASN 318 Cb 0.42 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.43 1.31 0.20 3.10 3.76 -1.26 -5.13 115.29 114.84 3hpf s HIS 319 Ca 0.31 -1.27 -0.30 0.00 -0.15 0.00 0.00 55.06 53.64 3hpf s HIS 319 Cb 0.29 -0.71 -0.08 0.00 1.11 0.00 0.00 32.58 33.19 3hpf s HIS 319 CO -0.02 -0.49 1.20 0.99 -0.85 0.00 0.00 174.74 175.57 3hpf s THR 320 N -3.96 3.50 0.59 1.30 2.01 -1.26 -4.87 115.64 112.95 3hpf s THR 320 Ca 0.37 1.30 0.05 0.00 0.31 0.00 0.00 61.69 63.72 3hpf s THR 320 Cb 0.07 -3.83 0.11 0.00 0.01 0.00 0.00 72.50 68.86 3hpf s THR 320 CO 0.12 0.22 0.82 -1.20 -0.69 0.00 0.00 174.62 173.89 3hpf n SER 321 N 2.30 1.69 -0.00 3.53 7.64 0.20 -4.84 113.62 124.14 3hpf n SER 321 Ca 0.04 -2.29 0.03 0.00 1.01 0.00 0.00 58.87 57.66 3hpf n SER 321 Cb 0.44 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 63.12 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 -2.59 2.56 -4.56 6.43 8.00 -0.31 -1.51 116.55 124.57 3hpf n ASP 322 Ca 0.15 -0.20 -0.38 0.00 0.71 0.00 0.00 54.79 55.07 3hpf n ASP 322 Cb 0.56 1.19 -0.03 0.00 -0.02 0.00 0.00 41.12 42.81 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 -2.14 2.46 -0.12 -0.24 0.04 -1.26 -4.62 135.00 129.12 3hpf s PRO 323 Ca -0.01 1.44 0.19 0.00 0.04 0.00 0.00 61.00 62.66 3hpf s PRO 323 Cb 0.04 -4.49 0.44 0.00 0.04 0.00 0.00 34.50 30.53 3hpf s PRO 323 CO 0.25 -2.87 1.18 0.25 0.04 0.00 0.00 177.00 175.85 3hpf n THR 324 N 7.81 1.09 -0.02 1.26 -2.24 -1.26 -4.92 114.28 116.00 3hpf n THR 324 Ca 0.32 -2.22 -0.13 0.00 -2.27 0.00 0.00 64.05 59.75 3hpf n THR 324 Cb 0.52 0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.25 -0.77 1.50 3.38 0.00 -1.86 -1.16 103.07 105.41 3hpf h GLY 325 Ca -0.10 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3hpf h GLY 325 CO 0.12 -0.21 0.25 -2.55 0.00 0.00 0.00 176.54 174.14 3hpf h PRO 326 N -0.49 0.00 0.00 4.80 0.11 -1.87 0.24 132.00 134.79 3hpf h PRO 326 Ca 0.08 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 3hpf h PRO 326 Cb 0.63 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 3hpf h PRO 326 CO -0.43 0.00 -0.34 0.93 -0.21 0.00 0.00 178.00 177.94 3hpf h GLU 327 N 0.00 0.00 0.03 1.05 4.39 -1.58 -3.34 114.58 115.13 3hpf h GLU 327 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 3hpf h GLU 327 Cb 0.49 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 3hpf h GLU 327 CO 0.00 0.06 -1.93 1.28 -1.16 0.00 0.00 179.01 177.26 3hpf n LEU 328 N -3.00 1.25 -4.80 1.33 4.32 0.77 -4.91 117.00 111.95 3hpf n LEU 328 Ca 0.02 0.27 -0.35 0.00 -0.02 0.00 0.00 56.01 55.93 3hpf n LEU 328 Cb 0.57 -0.12 -0.06 0.00 -1.62 0.00 0.00 43.42 42.18 3hpf n LEU 328 CO 0.36 0.54 0.57 -0.31 -1.22 0.00 0.00 177.39 177.34 3hpf s TYR 329 N -2.57 3.57 -0.87 -1.77 2.02 -0.84 -0.75 117.35 116.13 3hpf s TYR 329 Ca -0.11 1.60 0.28 0.00 -0.37 0.00 0.00 57.07 58.46 3hpf s TYR 329 Cb 0.07 -2.80 1.02 0.00 -0.40 0.00 0.00 41.96 39.86 3hpf s TYR 329 CO 0.80 0.16 1.85 1.33 -1.57 0.00 0.00 175.55 178.12 3hpf n VAL 330 N 0.25 0.28 -3.89 0.71 0.24 -0.59 -4.74 118.33 110.59 3hpf n VAL 330 Ca 0.02 -0.13 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 3hpf n VAL 330 Cb 0.51 -0.52 -0.01 0.00 -1.47 0.00 0.00 33.84 32.35 3hpf n VAL 330 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hpf n GLY 331 N 1.41 1.80 2.38 7.63 0.00 -1.26 -5.07 105.19 112.08 3hpf n GLY 331 Ca 0.06 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.32 -0.20 1.61 4.64 -1.26 -5.00 116.55 113.41 3hpf n ASP 332 Ca -0.03 -2.10 0.09 0.00 -1.38 0.00 0.00 54.79 51.37 3hpf n ASP 332 Cb 0.52 2.25 0.14 0.00 -1.04 0.00 0.00 41.12 43.00 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 -0.36 1.80 -4.47 5.18 0.24 -1.26 -4.84 118.33 114.62 3hpf n VAL 333 Ca -0.04 -2.28 -0.24 0.00 -2.04 0.00 0.00 64.34 59.74 3hpf n VAL 333 Cb 0.39 -0.18 -0.10 0.00 -1.47 0.00 0.00 33.84 32.48 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 -2.73 2.48 0.22 3.34 -7.23 -1.26 -0.66 120.40 114.56 3hpf s VAL 334 Ca 0.31 -2.37 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 3hpf s VAL 334 Cb 0.28 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 3hpf s VAL 334 CO 0.01 -0.37 1.53 0.11 -0.31 0.00 0.00 175.10 176.07 3hpf h LYS 335 N 2.23 0.32 -3.04 4.82 1.57 -1.26 -3.43 116.57 117.78 3hpf h LYS 335 Ca -0.40 -0.22 -0.31 0.00 -1.87 0.00 0.00 60.65 57.85 3hpf h LYS 335 Cb 1.26 0.03 -0.36 0.00 0.08 0.00 0.00 32.23 33.24 3hpf h LYS 335 CO 0.61 0.83 -0.64 -0.80 -0.57 0.00 0.00 179.45 178.88 3hpf s ASN 336 N -6.91 0.91 0.74 0.86 -0.87 -1.26 -5.09 114.94 103.31 3hpf s ASN 336 Ca -0.05 0.22 -0.11 0.00 -1.57 0.00 0.00 52.86 51.35 3hpf s ASN 336 Cb 0.12 0.25 0.03 0.00 -0.02 0.00 0.00 41.25 41.63 3hpf s ASN 336 CO 0.81 -0.26 1.07 -0.13 -2.57 0.00 0.00 177.10 176.03 3hpf s ARG 337 N 2.29 2.60 0.92 -0.60 0.52 -1.26 -4.74 118.95 118.66 3hpf s ARG 337 Ca 0.03 0.89 -0.11 0.00 -0.52 0.00 0.00 55.73 56.03 3hpf s ARG 337 Cb -0.13 -1.96 0.14 0.00 0.52 0.00 0.00 34.95 33.53 3hpf s ARG 337 CO -0.06 -1.32 1.11 0.14 0.02 0.00 0.00 175.30 175.18 3hpf s VAL 338 N -3.06 2.40 -0.08 3.52 -7.23 -1.26 -5.00 120.40 109.69 3hpf s VAL 338 Ca 0.59 0.13 -0.01 0.00 -1.81 0.00 0.00 61.98 60.88 3hpf s VAL 338 Cb -0.15 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 3hpf s VAL 338 CO 0.55 -0.17 -0.03 0.42 -0.31 0.00 0.00 175.10 175.56 3hpf s THR 339 N -2.71 4.06 -0.09 5.32 -4.23 -1.26 -5.05 115.64 111.68 3hpf s THR 339 Ca 0.65 -0.34 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 3hpf s THR 339 Cb -0.21 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 70.94 3hpf s THR 339 CO 0.58 0.60 -0.21 -0.31 -0.54 0.00 0.00 174.62 174.75 3hpf s TYR 340 N -0.84 2.24 -0.11 3.99 2.02 -1.26 -1.83 117.35 121.56 3hpf s TYR 340 Ca 0.13 -0.91 -0.06 0.00 -0.37 0.00 0.00 57.07 55.86 3hpf s TYR 340 Cb -0.11 -1.53 0.05 0.00 -0.40 0.00 0.00 41.96 39.97 3hpf s TYR 340 CO 0.02 -0.39 0.26 0.21 -1.57 0.00 0.00 175.55 174.09 3hpf s LYS 341 N 0.45 0.22 -1.42 -0.62 2.20 -0.58 -4.88 119.74 115.11 3hpf s LYS 341 Ca -0.17 0.58 -0.07 0.00 -0.36 0.00 0.00 55.97 55.95 3hpf s LYS 341 Cb -0.17 -0.10 0.04 0.00 -1.51 0.00 0.00 37.83 36.09 3hpf s LYS 341 CO 0.07 -0.18 0.58 -0.25 -0.36 0.00 0.00 175.35 175.22 3hpf n ASP 342 N 4.37 -4.96 -0.04 1.43 10.43 -1.26 -1.52 116.55 125.00 3hpf n ASP 342 Ca -0.23 -0.36 -0.01 0.00 2.57 0.00 0.00 54.79 56.77 3hpf n ASP 342 Cb 0.53 -4.04 -0.00 0.00 1.84 0.00 0.00 41.12 39.45 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 -1.38 0.47 3.36 0.44 0.00 -0.84 -4.80 105.19 102.43 3hpf n GLY 343 Ca -0.06 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 2.41 -0.24 1.61 2.02 -0.58 -0.79 117.35 119.79 3hpf s TYR 344 Ca 0.00 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.22 3hpf s TYR 344 Cb 0.00 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 3hpf s TYR 344 CO 0.00 0.07 0.21 -1.17 -1.57 0.00 0.00 175.55 173.09 3hpf s LEU 345 N -0.90 4.10 -0.03 -1.29 2.96 0.40 -1.52 118.68 122.40 3hpf s LEU 345 Ca 0.11 0.15 -0.19 0.00 -0.22 0.00 0.00 54.13 53.99 3hpf s LEU 345 Cb -0.10 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 3hpf s LEU 345 CO 0.01 0.01 0.52 -0.31 -1.32 0.00 0.00 176.35 175.26 3hpf s TYR 346 N 1.28 3.66 0.33 5.38 2.02 -0.76 -0.89 117.35 128.37 3hpf s TYR 346 Ca 0.09 1.08 -0.28 0.00 -0.37 0.00 0.00 57.07 57.59 3hpf s TYR 346 Cb -0.14 -2.52 -0.10 0.00 -0.40 0.00 0.00 41.96 38.80 3hpf s TYR 346 CO 0.06 0.38 1.20 0.00 -1.57 0.00 0.00 175.55 175.62 3hpf s ALA 347 N -0.22 3.37 0.78 3.71 0.00 -0.92 -4.56 121.76 123.92 3hpf s ALA 347 Ca 0.28 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 3hpf s ALA 347 Cb -0.17 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3hpf s ALA 347 CO 0.15 -0.44 1.03 -2.30 0.00 0.00 0.00 175.76 174.20 3hpf n PRO 348 N 0.73 0.28 -1.63 0.00 -0.02 -1.26 -4.79 135.00 128.30 3hpf n PRO 348 Ca 0.01 0.16 -0.64 0.00 -2.02 0.00 0.00 63.50 61.01 3hpf n PRO 348 Cb 0.44 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 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 -2.41 1.31 0.23 2.55 -0.08 -1.26 -4.79 116.55 112.10 3hpf n ASP 349 Ca 0.13 1.04 0.16 0.00 -1.51 0.00 0.00 54.79 54.61 3hpf n ASP 349 Cb 0.50 -0.93 0.79 0.00 2.34 0.00 0.00 41.12 43.81 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 6.40 0.00 0.00 -0.67 2.43 -2.00 -1.78 114.38 118.77 3hpf h ARG 350 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3hpf h ARG 350 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3hpf h ARG 350 CO 1.00 0.00 -0.22 0.77 -1.51 0.00 0.00 179.97 180.02 3hpf h SER 351 N 0.00 0.00 -3.47 -3.80 0.02 -2.00 -3.36 113.55 100.95 3hpf h SER 351 Ca 0.00 -0.03 -0.61 0.00 -0.84 0.00 0.00 61.79 60.31 3hpf h SER 351 Cb 0.13 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.56 3hpf h SER 351 CO 0.00 0.01 0.20 -0.69 -1.14 0.00 0.00 176.83 175.21 3hpf s VAL 352 N -3.19 4.96 0.63 2.27 1.01 -0.67 -4.89 120.40 120.51 3hpf s VAL 352 Ca 0.07 1.13 -0.19 0.00 0.00 0.00 0.00 61.98 63.00 3hpf s VAL 352 Cb 0.09 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3hpf s VAL 352 CO 0.67 -0.02 1.28 -1.59 0.00 0.00 0.00 175.10 175.45 3hpf s LYS 353 N 2.57 2.68 2.68 2.72 -2.85 -1.26 -4.12 119.74 122.16 3hpf s LYS 353 Ca 0.27 2.04 0.00 0.00 -1.00 0.00 0.00 55.97 57.28 3hpf s LYS 353 Cb -0.15 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.72 3hpf s LYS 353 CO 0.09 -1.49 0.00 0.41 0.10 0.00 0.00 175.35 174.46 3hpf n GLY 354 N 0.81 -0.75 0.28 0.59 0.00 0.17 -3.81 105.19 102.49 3hpf n GLY 354 Ca 0.15 -1.18 0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.85 -1.38 115.31 117.14 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 0.04 0.00 0.61 -1.08 0.00 0.00 178.44 178.01 3hpf n GLY 356 N -0.23 0.57 3.18 0.83 0.00 -1.25 -4.75 105.19 103.55 3hpf n GLY 356 Ca -0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 1.18 -0.05 -0.61 -1.09 -1.26 -4.86 121.20 112.51 3hpf s ILE 357 Ca 0.00 -1.25 0.03 0.00 -2.23 0.00 0.00 60.65 57.20 3hpf s ILE 357 Cb 0.00 -1.11 0.01 0.00 -1.58 0.00 0.00 42.46 39.78 3hpf s ILE 357 CO 0.00 -0.14 -0.13 -0.70 -1.23 0.00 0.00 174.94 172.74 3hpf s GLU 358 N -1.59 1.52 0.47 2.79 2.12 -1.26 -5.07 118.70 117.68 3hpf s GLU 358 Ca -0.00 -0.44 -0.21 0.00 0.36 0.00 0.00 54.97 54.68 3hpf s GLU 358 Cb -0.09 -1.31 -0.08 0.00 0.26 0.00 0.00 34.13 32.90 3hpf s GLU 358 CO 0.02 0.12 1.06 -0.51 -0.54 0.00 0.00 175.26 175.41 3hpf s LEU 359 N 0.34 3.90 -0.33 2.70 1.43 -1.26 -0.90 118.68 124.56 3hpf s LEU 359 Ca -0.08 1.99 -0.02 0.00 -1.03 0.00 0.00 54.13 54.99 3hpf s LEU 359 Cb -0.12 -4.48 0.06 0.00 0.03 0.00 0.00 46.19 41.68 3hpf s LEU 359 CO 0.02 -0.78 0.06 -0.62 0.23 0.00 0.00 176.35 175.27 3hpf s ASP 360 N -1.85 5.01 0.43 2.29 3.68 0.17 -4.58 116.67 121.82 3hpf s ASP 360 Ca 0.66 -1.47 0.14 0.00 2.13 0.00 0.00 52.55 54.00 3hpf s ASP 360 Cb -0.19 -1.75 1.02 0.00 -1.45 0.00 0.00 42.92 40.55 3hpf s ASP 360 CO 0.23 -0.34 1.97 -0.33 0.13 0.00 0.00 175.17 176.82 3hpf h GLU 361 N 8.02 0.41 0.00 4.34 4.39 -1.96 -0.82 114.58 128.96 3hpf h GLU 361 Ca -0.19 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 3hpf h GLU 361 Cb 1.06 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 3hpf h GLU 361 CO 0.58 0.27 -0.33 0.66 -1.16 0.00 0.00 179.01 179.03 3hpf h SER 362 N 0.43 0.00 0.77 1.42 4.64 -1.96 -2.10 113.55 116.75 3hpf h SER 362 Ca 0.30 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.37 3hpf h SER 362 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3hpf h SER 362 CO -0.09 0.33 -1.19 -0.07 -0.87 0.00 0.00 176.83 174.94 3hpf h LEU 363 N 0.00 0.21 -1.02 5.97 3.38 -1.51 -1.05 115.31 121.29 3hpf h LEU 363 Ca -0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3hpf h LEU 363 Cb 0.65 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3hpf h LEU 363 CO 0.04 1.19 0.19 -0.07 0.09 0.00 0.00 178.44 179.88 3hpf h LEU 364 N 0.04 0.83 -0.14 1.67 3.38 -1.08 -1.37 115.31 118.64 3hpf h LEU 364 Ca -0.10 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.56 3hpf h LEU 364 Cb 1.89 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.43 3hpf h LEU 364 CO 0.16 0.78 -0.60 0.00 0.09 0.00 0.00 178.44 178.87 3hpf h ALA 365 N 1.34 0.26 -0.46 1.53 0.00 -1.38 -2.36 119.26 118.19 3hpf h ALA 365 Ca 0.20 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.62 3hpf h ALA 365 Cb 0.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3hpf h ALA 365 CO -0.01 0.51 0.20 -0.22 0.00 0.00 0.00 179.25 179.73 3hpf h LYS 366 N 0.32 0.39 -0.60 0.00 3.64 -0.83 -2.75 116.57 116.74 3hpf h LYS 366 Ca -0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hpf h LYS 366 Cb 1.24 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3hpf h LYS 366 CO 0.13 0.26 0.00 0.66 -2.27 0.00 0.00 179.45 178.23 3hpf n TYR 367 N -4.95 0.80 -1.76 1.91 4.01 -0.55 -4.98 117.16 111.63 3hpf n TYR 367 Ca 0.04 -0.40 -0.41 0.00 -0.16 0.00 0.00 57.90 56.96 3hpf n TYR 367 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3hpf n TYR 367 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 3hpf n GLN 368 N 1.30 2.64 -4.35 -0.72 7.27 -0.89 -0.69 117.38 121.95 3hpf n GLN 368 Ca 0.21 0.93 -0.23 0.00 0.07 0.00 0.00 57.00 57.98 3hpf n GLN 368 Cb 0.52 -2.66 -0.13 0.00 2.41 0.00 0.00 30.24 30.39 3hpf n GLN 368 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3hpf s VAL 369 N -0.93 1.52 0.37 1.69 1.01 -0.65 -4.76 120.40 118.65 3hpf s VAL 369 Ca 0.55 -1.37 0.17 0.00 0.00 0.00 0.00 61.98 61.34 3hpf s VAL 369 Cb -0.49 -1.38 0.16 0.00 0.00 0.00 0.00 36.38 34.67 3hpf s VAL 369 CO 0.61 -0.03 1.90 1.55 0.00 0.00 0.00 175.10 179.14 3hpf h PRO 370 N 4.38 0.00 0.00 2.72 0.13 -1.95 -3.42 132.00 133.85 3hpf h PRO 370 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 3hpf h PRO 370 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hpf h PRO 370 CO 0.41 0.28 0.19 -0.40 -0.23 0.00 0.00 178.00 178.25 3hpf n ASP 371 N -3.95 -0.92 -1.82 1.44 5.68 -1.26 -5.04 116.55 110.68 3hpf n ASP 371 Ca -0.02 -1.58 0.05 0.00 -0.50 0.00 0.00 54.79 52.75 3hpf n ASP 371 Cb 0.35 1.52 0.37 0.00 -1.14 0.00 0.00 41.12 42.23 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 5.47 -4.64 -2.12 4.77 -1.26 -4.96 117.00 114.26 3hpf n LEU 372 Ca -0.03 -2.78 -0.36 0.00 -0.03 0.00 0.00 56.01 52.81 3hpf n LEU 372 Cb 0.26 -0.68 0.09 0.00 -2.33 0.00 0.00 43.42 40.76 3hpf n LEU 372 CO 0.11 0.62 0.62 -1.54 -1.33 0.00 0.00 177.39 175.87 3hpf n SER 373 N 0.53 0.81 -4.88 -1.43 3.41 -1.26 -4.76 113.62 106.04 3hpf n SER 373 Ca 0.27 0.69 -0.30 0.00 -0.26 0.00 0.00 58.87 59.27 3hpf n SER 373 Cb 1.16 -1.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.78 3.49 0.55 7.33 0.52 -1.26 -5.08 118.94 122.71 3hpf s TRP 374 Ca 0.75 1.00 0.04 0.00 0.02 0.00 0.00 56.10 57.91 3hpf s TRP 374 Cb -0.35 -2.42 0.03 0.00 -1.15 0.00 0.00 33.47 29.59 3hpf s TRP 374 CO 0.49 -0.14 0.29 -0.51 0.02 0.00 0.00 176.95 177.10 3hpf s ASP 375 N -3.32 4.48 0.02 2.95 1.01 -1.26 -5.06 116.67 115.49 3hpf s ASP 375 Ca 0.50 -1.41 -0.30 0.00 0.71 0.00 0.00 52.55 52.05 3hpf s ASP 375 Cb -0.10 0.56 -0.07 0.00 1.01 0.00 0.00 42.92 44.31 3hpf s ASP 375 CO 0.34 -1.08 1.66 0.20 0.21 0.00 0.00 175.17 176.50 3hpf s ASN 376 N -4.19 6.63 -0.15 0.27 -0.87 -1.26 -4.97 114.94 110.40 3hpf s ASN 376 Ca 0.23 2.39 -0.21 0.00 -1.57 0.00 0.00 52.86 53.70 3hpf s ASN 376 Cb -0.02 -2.55 0.05 0.00 -0.02 0.00 0.00 41.25 38.72 3hpf s ASN 376 CO 0.15 -0.90 0.56 0.54 -2.57 0.00 0.00 177.10 174.87 3hpf s VAL 377 N 3.25 0.01 0.41 1.60 0.11 -1.26 -5.13 120.40 119.39 3hpf s VAL 377 Ca 0.74 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.76 3hpf s VAL 377 Cb -0.37 -0.81 -0.00 0.00 -1.53 0.00 0.00 36.38 33.66 3hpf s VAL 377 CO 0.32 -0.04 0.59 0.42 -3.33 0.00 0.00 175.10 173.06 3hpf s THR 378 N -0.23 3.88 0.20 5.04 -4.23 -1.26 -4.98 115.64 114.06 3hpf s THR 378 Ca -0.04 -0.74 -0.09 0.00 -1.18 0.00 0.00 61.69 59.63 3hpf s THR 378 Cb -0.03 -3.39 0.12 0.00 1.34 0.00 0.00 72.50 70.54 3hpf s THR 378 CO 0.03 -0.22 1.76 0.58 -0.54 0.00 0.00 174.62 176.23 3hpf h VAL 379 N 0.59 1.25 -0.67 2.29 2.07 -2.02 -1.29 116.25 118.46 3hpf h VAL 379 Ca -0.45 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.30 3hpf h VAL 379 Cb 1.26 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3hpf h VAL 379 CO 0.54 0.31 0.44 0.45 0.02 0.00 0.00 177.57 179.34 3hpf h HIS 380 N 1.02 0.83 -0.21 1.57 3.86 -1.99 -1.06 115.15 119.18 3hpf h HIS 380 Ca 0.24 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.36 3hpf h HIS 380 Cb 0.22 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3hpf h HIS 380 CO 0.02 0.50 -0.32 1.96 0.86 0.00 0.00 177.93 180.95 3hpf h GLN 381 N 0.88 0.43 -0.15 2.45 4.20 -1.78 -0.42 115.11 120.72 3hpf h GLN 381 Ca 0.26 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 3hpf h GLN 381 Cb -0.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3hpf h GLN 381 CO -0.07 0.70 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.29 3hpf h LEU 382 N 0.37 0.37 0.05 1.46 3.38 -0.71 0.68 115.31 120.91 3hpf h LEU 382 Ca 0.05 -0.17 -0.28 0.00 0.09 0.00 0.00 57.88 57.57 3hpf h LEU 382 Cb 0.75 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.41 3hpf h LEU 382 CO 0.06 0.76 -1.18 1.56 0.09 0.00 0.00 178.44 179.74 3hpf h GLN 383 N 0.29 0.52 -0.00 1.13 4.20 -0.94 -3.34 115.11 116.97 3hpf h GLN 383 Ca 0.02 -0.69 0.00 0.00 0.06 0.00 0.00 58.65 58.05 3hpf h GLN 383 Cb 0.89 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.89 3hpf h GLN 383 CO 0.07 1.29 -0.75 -0.25 -0.67 0.00 0.00 178.83 178.52 3hpf n ASP 384 N -3.74 1.08 -3.13 1.46 8.00 -0.19 -4.98 116.55 115.05 3hpf n ASP 384 Ca -0.11 -0.93 -0.21 0.00 0.71 0.00 0.00 54.79 54.25 3hpf n ASP 384 Cb 0.96 0.69 0.06 0.00 -0.02 0.00 0.00 41.12 42.81 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 -1.18 -6.62 -3.88 -1.24 5.12 0.24 -4.72 116.66 104.39 3hpf n ARG 385 Ca 0.06 0.74 -0.25 0.00 -1.93 0.00 0.00 57.85 56.47 3hpf n ARG 385 Cb 0.36 -5.46 -0.03 0.00 -1.16 0.00 0.00 32.46 26.17 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 -3.25 2.03 0.00 0.55 -4.23 -1.06 -4.69 115.64 104.98 3hpf s THR 386 Ca 0.48 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3hpf s THR 386 Cb -0.21 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.09 3hpf s THR 386 CO 0.59 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.67