#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3g n THR 4 N 0.00 4.27 0.10 3.45 -2.24 -1.26 -4.89 114.28 113.71 1h3g n THR 4 Ca 0.00 -0.50 0.20 0.00 -2.27 0.00 0.00 64.05 61.48 1h3g n THR 4 Cb 0.00 -1.30 0.74 0.00 -2.10 0.00 0.00 70.33 67.66 1h3g n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h3g h ALA 5 N 0.49 2.08 -3.50 6.98 0.00 -1.96 -3.20 119.26 120.14 1h3g h ALA 5 Ca -0.50 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 53.78 1h3g h ALA 5 Cb 1.35 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.78 1h3g h ALA 5 CO 0.52 -0.67 -0.75 0.42 0.00 0.00 0.00 179.25 178.77 1h3g s ILE 6 N -4.55 1.67 0.11 0.00 1.01 -1.26 -3.75 121.20 114.42 1h3g s ILE 6 Ca -0.04 -1.81 0.09 0.00 0.00 0.00 0.00 60.65 58.89 1h3g s ILE 6 Cb 0.15 -2.17 -0.14 0.00 0.01 0.00 0.00 42.46 40.30 1h3g s ILE 6 CO 0.51 -0.52 1.36 -0.33 0.00 0.00 0.00 174.94 175.96 1h3g h GLU 7 N 7.84 0.00 0.00 2.79 4.39 -0.26 -3.48 114.58 125.85 1h3g h GLU 7 Ca -0.10 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 1h3g h GLU 7 Cb 1.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 1h3g h GLU 7 CO 0.48 0.87 -0.05 0.72 -1.16 0.00 0.00 179.01 179.87 1h3g n HIS 8 N -3.40 -0.94 0.00 4.33 8.25 -0.63 -4.99 115.22 117.83 1h3g n HIS 8 Ca 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 1h3g n HIS 8 Cb 0.86 0.26 0.00 0.00 1.12 0.00 0.00 29.99 32.23 1h3g n HIS 8 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1h3g n GLU 10 N -0.25 0.00 -2.06 -0.41 1.02 -1.26 -0.45 120.64 117.23 1h3g n GLU 10 Ca -0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1h3g n GLU 10 Cb 0.26 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.70 1h3g n GLU 10 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1h3g s PRO 11 N -0.14 3.14 0.47 3.49 0.04 -1.26 -4.42 135.00 136.32 1h3g s PRO 11 Ca 0.00 1.82 0.15 0.00 0.04 0.00 0.00 61.00 63.01 1h3g s PRO 11 Cb 0.00 -2.02 1.08 0.00 0.04 0.00 0.00 34.50 33.60 1h3g s PRO 11 CO 0.00 -1.07 2.04 -1.35 0.04 0.00 0.00 177.00 176.66 1h3g h PRO 12 N 1.12 0.00 -3.08 0.56 0.11 -1.99 -3.44 132.00 125.27 1h3g h PRO 12 Ca -0.50 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.66 1h3g h PRO 12 Cb 1.29 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 1h3g h PRO 12 CO 0.56 0.13 0.19 -0.59 -0.21 0.00 0.00 178.00 178.08 1h3g s PHE 13 N -4.76 -0.11 0.00 0.65 -0.12 -1.26 -4.59 117.98 107.79 1h3g s PHE 13 Ca -0.04 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 1h3g s PHE 13 Cb 0.16 0.65 0.00 0.00 -0.63 0.00 0.00 43.02 43.20 1h3g s PHE 13 CO 0.69 -1.22 0.00 1.87 -0.05 0.00 0.00 175.22 176.51 1h3g n TRP 14 N -0.45 -0.14 -4.22 3.49 -0.00 -0.77 -5.03 117.44 110.31 1h3g n TRP 14 Ca -0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.27 1h3g n TRP 14 Cb 0.59 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.79 1h3g n TRP 14 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1h3g s TRP 15 N -2.90 1.42 0.56 5.87 0.51 -1.26 -0.34 118.94 122.79 1h3g s TRP 15 Ca 0.00 -0.48 -0.17 0.00 -2.12 0.00 0.00 56.10 53.33 1h3g s TRP 15 Cb 0.00 -0.77 -0.05 0.00 -0.81 0.00 0.00 33.47 31.84 1h3g s TRP 15 CO 0.00 0.13 1.04 0.00 -0.51 0.00 0.00 176.95 177.61 1h3g s ALA 16 N -1.54 2.83 -0.06 0.98 0.00 -0.18 -4.78 121.76 119.01 1h3g s ALA 16 Ca 0.04 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 1h3g s ALA 16 Cb -0.08 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1h3g s ALA 16 CO 0.03 -0.61 0.04 0.41 0.00 0.00 0.00 175.76 175.63 1h3g n GLY 17 N -0.99 -3.47 0.34 0.00 0.00 -1.26 -4.47 105.19 95.34 1h3g n GLY 17 Ca 0.08 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1h3g n GLY 17 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1h3g n GLN 19 N 0.37 0.44 -2.81 1.61 -0.06 -1.26 -5.05 117.38 110.62 1h3g n GLN 19 Ca -0.08 0.19 -0.42 0.00 -2.00 0.00 0.00 57.00 54.69 1h3g n GLN 19 Cb 0.12 -1.25 -0.04 0.00 -4.06 0.00 0.00 30.24 25.01 1h3g n GLN 19 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1h3g s HIS 20 N -2.44 3.24 0.02 3.69 2.46 -1.26 -4.92 115.29 116.07 1h3g s HIS 20 Ca -0.29 1.08 0.19 0.00 0.47 0.00 0.00 55.06 56.52 1h3g s HIS 20 Cb 0.10 -3.30 0.49 0.00 -0.13 0.00 0.00 32.58 29.74 1h3g s HIS 20 CO 0.37 -0.56 1.64 0.87 -2.47 0.00 0.00 174.74 174.58 1h3g h LYS 21 N 7.91 0.00 -6.97 2.88 1.57 -1.96 -3.45 116.57 116.54 1h3g h LYS 21 Ca -0.22 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.07 1h3g h LYS 21 Cb 1.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.41 1h3g h LYS 21 CO 0.93 0.38 0.42 0.20 -0.57 0.00 0.00 179.45 180.81 1h3g s GLY 22 N -4.38 2.73 -0.09 3.86 0.00 -1.26 -0.35 107.32 107.82 1h3g s GLY 22 Ca 0.02 0.72 -0.04 0.00 0.00 0.00 0.00 44.72 45.42 1h3g s GLY 22 CO 0.70 1.14 0.18 -2.27 0.00 0.00 0.00 173.10 172.85 1h3g s LEU 23 N -2.73 0.06 -0.39 0.66 2.96 0.32 -4.91 118.68 114.65 1h3g s LEU 23 Ca 0.59 0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 54.79 1h3g s LEU 23 Cb -0.22 0.41 0.05 0.00 0.50 0.00 0.00 46.19 46.93 1h3g s LEU 23 CO 0.28 -0.22 0.23 -1.58 -1.32 0.00 0.00 176.35 173.73 1h3g s GLN 24 N 2.04 2.72 0.00 1.98 0.74 -1.26 0.65 119.66 126.53 1h3g s GLN 24 Ca -0.00 -1.25 0.00 0.00 0.05 0.00 0.00 55.36 54.15 1h3g s GLN 24 Cb -0.12 -3.74 0.00 0.00 1.10 0.00 0.00 33.01 30.25 1h3g s GLN 24 CO -0.07 -0.81 0.00 1.28 -0.55 0.00 0.00 175.29 175.14 1h3g n LEU 25 N 4.96 0.00 0.00 3.68 4.77 0.19 -4.58 117.00 126.01 1h3g n LEU 25 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1h3g n LEU 25 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1h3g n LEU 25 CO 0.37 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.95 1h3g n VAL 27 N 0.00 0.00 -4.49 4.08 0.31 0.11 -0.12 118.33 118.21 1h3g n VAL 27 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 1h3g n VAL 27 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 1h3g n VAL 27 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1h3g s HIS 28 N -0.37 1.84 -0.25 3.52 5.65 0.41 -0.81 115.29 125.28 1h3g s HIS 28 Ca 0.00 -0.82 -0.34 0.00 0.25 0.00 0.00 55.06 54.15 1h3g s HIS 28 Cb 0.00 -1.34 0.16 0.00 -1.18 0.00 0.00 32.58 30.22 1h3g s HIS 28 CO 0.00 -0.43 1.29 0.20 -0.65 0.00 0.00 174.74 175.15 1h3g s GLY 29 N 0.92 -0.14 -0.00 1.59 0.00 -0.45 0.18 107.32 109.42 1h3g s GLY 29 Ca -0.08 2.14 -0.33 0.00 0.00 0.00 0.00 44.72 46.44 1h3g s GLY 29 CO -0.00 0.79 1.86 -2.13 0.00 0.00 0.00 173.10 173.63 1h3g n ARG 30 N 0.20 2.41 -1.61 2.90 0.63 -1.25 -1.58 116.66 118.36 1h3g n ARG 30 Ca 0.01 0.88 -0.18 0.00 -0.92 0.00 0.00 57.85 57.64 1h3g n ARG 30 Cb 0.58 -2.75 -0.07 0.00 0.45 0.00 0.00 32.46 30.67 1h3g n ARG 30 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1h3g n ASP 31 N 6.33 -4.69 0.22 6.15 9.92 -1.18 -4.82 116.55 128.48 1h3g n ASP 31 Ca 0.21 0.39 0.06 0.00 -0.53 0.00 0.00 54.79 54.92 1h3g n ASP 31 Cb 0.33 -4.18 0.51 0.00 -0.64 0.00 0.00 41.12 37.14 1h3g n ASP 31 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1h3g h ILE 32 N 0.00 1.07 0.00 0.53 6.09 -0.61 -1.53 117.51 123.06 1h3g h ILE 32 Ca -0.37 -0.73 0.00 0.00 -1.37 0.00 0.00 64.86 62.40 1h3g h ILE 32 Cb 1.16 1.40 0.00 0.00 0.47 0.00 0.00 36.82 39.86 1h3g h ILE 32 CO 0.52 0.20 0.00 0.61 -3.07 0.00 0.00 178.15 176.42 1h3g n GLY 33 N -0.87 -1.06 2.54 8.18 0.00 0.21 -4.71 105.19 109.48 1h3g n GLY 33 Ca -0.02 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1h3g n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3g n ARG 34 N -2.29 3.99 -3.97 1.61 1.74 -0.58 -4.89 116.66 112.28 1h3g n ARG 34 Ca 0.00 -3.35 -0.16 0.00 -0.77 0.00 0.00 57.85 53.57 1h3g n ARG 34 Cb 0.12 -2.44 -0.15 0.00 -1.02 0.00 0.00 32.46 28.97 1h3g n ARG 34 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1h3g s GLU 36 N -2.04 0.28 0.06 5.56 2.12 0.86 -4.70 118.70 120.85 1h3g s GLU 36 Ca 0.53 0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.86 1h3g s GLU 36 Cb 0.26 -0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.22 1h3g s GLU 36 CO -0.16 -0.06 0.20 0.00 -0.54 0.00 0.00 175.26 174.71 1h3g s ALA 37 N 0.59 3.98 0.12 6.30 0.00 -1.26 -0.95 121.76 130.54 1h3g s ALA 37 Ca -0.06 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 50.82 1h3g s ALA 37 Cb -0.09 -1.80 0.06 0.00 0.00 0.00 0.00 23.12 21.29 1h3g s ALA 37 CO -0.01 0.82 0.58 0.00 0.00 0.00 0.00 175.76 177.15 1h3g s ALA 38 N -1.51 -1.52 0.14 0.00 0.00 -0.37 -4.98 121.76 113.52 1h3g s ALA 38 Ca 0.35 0.53 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 1h3g s ALA 38 Cb -0.13 0.73 0.07 0.00 0.00 0.00 0.00 23.12 23.79 1h3g s ALA 38 CO 0.28 -0.69 0.73 -0.48 0.00 0.00 0.00 175.76 175.60 1h3g s LEU 39 N -2.52 -0.42 -0.22 0.00 0.05 -1.26 -0.06 118.68 114.25 1h3g s LEU 39 Ca -0.01 -0.15 -0.04 0.00 0.05 0.00 0.00 54.13 53.99 1h3g s LEU 39 Cb -0.01 2.43 0.08 0.00 -2.05 0.00 0.00 46.19 46.64 1h3g s LEU 39 CO -0.09 -0.94 0.14 -0.62 -0.55 0.00 0.00 176.35 174.28 1h3g s ASP 40 N -2.73 2.45 -0.22 1.48 3.68 -1.26 -4.91 116.67 115.15 1h3g s ASP 40 Ca 0.05 -0.73 -0.13 0.00 2.13 0.00 0.00 52.55 53.87 1h3g s ASP 40 Cb -0.02 -0.11 0.07 0.00 -1.45 0.00 0.00 42.92 41.41 1h3g s ASP 40 CO -0.07 -0.37 0.55 -0.47 0.13 0.00 0.00 175.17 174.94 1h3g s TYR 41 N 2.18 -0.82 0.17 -5.34 5.04 -1.26 -4.88 117.35 112.44 1h3g s TYR 41 Ca 0.05 1.70 -0.33 0.00 -2.44 0.00 0.00 57.07 56.05 1h3g s TYR 41 Cb -0.16 0.43 -0.13 0.00 0.35 0.00 0.00 41.96 42.46 1h3g s TYR 41 CO -0.18 -0.43 1.65 -2.30 -1.34 0.00 0.00 175.55 172.95 1h3g n PRO 42 N 4.17 2.44 -0.31 4.97 -0.02 -1.26 -1.66 135.00 143.32 1h3g n PRO 42 Ca -0.21 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1h3g n PRO 42 Cb 0.57 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1h3g n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3g n GLY 43 N 3.69 1.58 3.56 -1.23 0.00 -1.26 -4.36 105.19 107.17 1h3g n GLY 43 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1h3g n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h3g s VAL 44 N -3.03 3.50 -0.04 1.61 1.01 -0.67 -0.45 120.40 122.34 1h3g s VAL 44 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1h3g s VAL 44 Cb 0.00 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.92 1h3g s VAL 44 CO 0.00 0.45 -0.03 -0.60 0.00 0.00 0.00 175.10 174.93 1h3g s ARG 45 N -1.22 0.65 -0.29 2.72 3.52 -0.17 -4.60 118.95 119.56 1h3g s ARG 45 Ca 0.15 -0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.43 1h3g s ARG 45 Cb -0.11 -0.75 -0.00 0.00 -1.56 0.00 0.00 34.95 32.53 1h3g s ARG 45 CO 0.05 -0.12 1.32 -1.17 -0.81 0.00 0.00 175.30 174.58 1h3g s LEU 46 N 1.06 3.88 -0.12 -0.88 1.98 -1.26 -0.74 118.68 122.60 1h3g s LEU 46 Ca -0.09 1.24 -0.17 0.00 -2.89 0.00 0.00 54.13 52.22 1h3g s LEU 46 Cb -0.14 -3.54 -0.26 0.00 0.66 0.00 0.00 46.19 42.91 1h3g s LEU 46 CO -0.01 -1.09 0.52 0.58 -1.89 0.00 0.00 176.35 174.46 1h3g h VAL 47 N 5.97 1.05 -1.70 1.68 2.07 -0.91 -3.48 116.25 120.93 1h3g h VAL 47 Ca -0.27 -2.37 0.26 0.00 0.82 0.00 0.00 66.70 65.15 1h3g h VAL 47 Cb 1.10 2.69 -0.13 0.00 -1.52 0.00 0.00 31.29 33.43 1h3g h VAL 47 CO 1.03 0.65 0.73 -0.94 0.02 0.00 0.00 177.57 179.06 1h3g s SER 48 N -6.96 -0.12 0.02 0.57 1.04 -1.15 -5.02 113.70 102.08 1h3g s SER 48 Ca -0.21 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.10 1h3g s SER 48 Cb 0.04 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1h3g s SER 48 CO 0.74 -0.44 -0.11 0.42 0.98 0.00 0.00 173.24 174.84 1h3g s THR 49 N -2.66 0.84 -0.06 2.02 -4.23 -1.26 -0.21 115.64 110.08 1h3g s THR 49 Ca 0.12 -0.71 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1h3g s THR 49 Cb 0.02 -0.75 -0.01 0.00 1.34 0.00 0.00 72.50 73.10 1h3g s THR 49 CO -0.03 0.05 -0.22 -0.89 -0.54 0.00 0.00 174.62 172.99 1h3g s THR 50 N -0.60 1.83 0.10 3.99 2.01 0.18 -4.98 115.64 118.16 1h3g s THR 50 Ca 0.01 -0.93 0.09 0.00 0.31 0.00 0.00 61.69 61.17 1h3g s THR 50 Cb -0.06 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1h3g s THR 50 CO 0.00 0.51 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.12 1h3g s ARG 51 N -0.02 1.82 0.39 4.92 0.52 -1.26 -1.49 118.95 123.82 1h3g s ARG 51 Ca -0.06 -1.14 0.07 0.00 -0.52 0.00 0.00 55.73 54.08 1h3g s ARG 51 Cb -0.14 -2.10 -0.08 0.00 0.52 0.00 0.00 34.95 33.16 1h3g s ARG 51 CO 0.04 0.49 -0.01 0.14 0.02 0.00 0.00 175.30 175.99 1h3g s VAL 52 N -1.06 1.96 0.47 3.52 -7.23 -1.26 -5.04 120.40 111.76 1h3g s VAL 52 Ca 0.16 -2.04 0.20 0.00 -1.81 0.00 0.00 61.98 58.50 1h3g s VAL 52 Cb -0.10 -2.90 0.38 0.00 0.56 0.00 0.00 36.38 34.31 1h3g s VAL 52 CO 0.08 -0.04 1.95 -0.65 -0.31 0.00 0.00 175.10 176.13 1h3g h PRO 53 N 1.86 0.22 -6.39 4.82 0.11 -1.96 -3.37 132.00 127.28 1h3g h PRO 53 Ca -0.43 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 1h3g h PRO 53 Cb 1.24 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1h3g h PRO 53 CO 0.78 0.15 1.11 1.21 -0.21 0.00 0.00 178.00 181.03 1h3g s ASN 54 N -6.06 6.10 0.00 -2.05 3.84 -1.26 -4.88 114.94 110.62 1h3g s ASN 54 Ca -0.07 0.29 0.05 0.00 0.21 0.00 0.00 52.86 53.34 1h3g s ASN 54 Cb 0.20 -2.55 0.23 0.00 -0.55 0.00 0.00 41.25 38.59 1h3g s ASN 54 CO 0.75 -1.73 0.99 0.00 -2.79 0.00 0.00 177.10 174.32 1h3g n ALA 55 N 9.69 1.39 1.16 1.71 0.00 -1.26 -2.39 120.51 130.81 1h3g n ALA 55 Ca 0.13 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1h3g n ALA 55 Cb 0.49 -1.07 0.31 0.00 0.00 0.00 0.00 19.45 19.18 1h3g n ALA 55 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h3g n ASN 56 N -1.30 1.65 -4.08 0.00 3.02 -1.26 0.64 115.26 113.93 1h3g n ASN 56 Ca 0.02 -1.79 -0.20 0.00 -0.03 0.00 0.00 54.58 52.58 1h3g n ASN 56 Cb 0.04 -0.14 -0.14 0.00 -0.61 0.00 0.00 39.78 38.92 1h3g n ASN 56 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1h3g s TYR 57 N -1.72 1.07 -0.03 3.10 2.02 -1.01 -1.34 117.35 119.45 1h3g s TYR 57 Ca 0.29 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 1h3g s TYR 57 Cb 0.15 -0.68 0.01 0.00 -0.40 0.00 0.00 41.96 41.05 1h3g s TYR 57 CO 0.23 -0.01 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.98 1h3g s LEU 58 N -0.48 1.54 -0.25 -1.29 2.96 0.01 -3.58 118.68 117.58 1h3g s LEU 58 Ca 0.04 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1h3g s LEU 58 Cb -0.05 -0.39 -0.01 0.00 0.50 0.00 0.00 46.19 46.24 1h3g s LEU 58 CO -0.00 -0.01 0.03 -0.36 -1.32 0.00 0.00 176.35 174.68 1h3g s PHE 59 N 0.57 3.06 -0.27 5.38 0.40 -0.56 0.08 117.98 126.65 1h3g s PHE 59 Ca -0.07 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.36 1h3g s PHE 59 Cb -0.11 -2.19 0.02 0.00 0.51 0.00 0.00 43.02 41.25 1h3g s PHE 59 CO -0.00 -0.52 0.00 0.08 0.70 0.00 0.00 175.22 175.48 1h3g s VAL 60 N 1.51 3.39 -0.23 -0.44 1.01 0.83 0.48 120.40 126.94 1h3g s VAL 60 Ca 0.04 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1h3g s VAL 60 Cb -0.16 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1h3g s VAL 60 CO 0.00 0.16 0.46 -1.81 0.00 0.00 0.00 175.10 173.92 1h3g s ASP 61 N 1.41 6.45 0.13 3.32 1.11 0.70 0.55 116.67 130.34 1h3g s ASP 61 Ca 0.02 0.53 0.09 0.00 0.18 0.00 0.00 52.55 53.36 1h3g s ASP 61 Cb -0.17 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 1h3g s ASP 61 CO -0.01 -0.19 -0.15 -0.76 1.18 0.00 0.00 175.17 175.24 1h3g s LEU 62 N 1.81 2.80 -0.25 1.23 1.43 0.21 -0.18 118.68 125.73 1h3g s LEU 62 Ca 0.21 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1h3g s LEU 62 Cb -0.15 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1h3g s LEU 62 CO 0.09 0.16 -0.06 -0.70 0.23 0.00 0.00 176.35 176.07 1h3g s GLU 63 N -2.31 2.80 -0.47 1.70 2.56 0.08 -0.52 118.70 122.52 1h3g s GLU 63 Ca 0.20 -1.00 -0.14 0.00 0.00 0.00 0.00 54.97 54.03 1h3g s GLU 63 Cb -0.10 -2.98 0.08 0.00 2.00 0.00 0.00 34.13 33.13 1h3g s GLU 63 CO 0.12 -0.41 0.39 0.42 -0.56 0.00 0.00 175.26 175.21 1h3g s ILE 64 N 1.31 5.03 0.73 -3.70 1.01 0.52 -1.00 121.20 125.11 1h3g s ILE 64 Ca -0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 60.65 59.32 1h3g s ILE 64 Cb -0.17 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.27 1h3g s ILE 64 CO -0.04 -0.62 1.07 -0.83 0.00 0.00 0.00 174.94 174.52 1h3g s GLY 65 N 2.69 1.65 0.54 6.18 0.00 0.41 -4.58 107.32 114.21 1h3g s GLY 65 Ca 0.04 -0.02 0.37 0.00 0.00 0.00 0.00 44.72 45.10 1h3g s GLY 65 CO 0.05 0.33 2.12 -2.55 0.00 0.00 0.00 173.10 173.04 1h3g h PRO 66 N -0.84 0.00 0.00 2.90 0.11 -1.98 -0.88 132.00 131.32 1h3g h PRO 66 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h3g h PRO 66 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1h3g h PRO 66 CO 0.58 0.00 -0.51 -0.85 -0.21 0.00 0.00 178.00 177.01 1h3g n GLU 67 N -2.80 0.18 -1.71 1.05 0.00 -1.26 -4.81 120.64 111.29 1h3g n GLU 67 Ca -0.02 0.06 -0.42 0.00 0.00 0.00 0.00 57.16 56.78 1h3g n GLU 67 Cb 0.08 -1.62 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 1h3g n GLU 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1h3g s ALA 68 N -3.10 3.86 0.22 -1.84 0.00 -0.34 -4.81 121.76 115.76 1h3g s ALA 68 Ca 0.08 1.54 0.05 0.00 0.00 0.00 0.00 51.96 53.63 1h3g s ALA 68 Cb 0.15 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1h3g s ALA 68 CO 0.69 -1.08 0.29 -0.65 0.00 0.00 0.00 175.76 175.01 1h3g s GLN 69 N 1.95 3.27 0.70 0.00 -0.21 -1.26 -4.56 119.66 119.55 1h3g s GLN 69 Ca 0.78 -0.81 -0.16 0.00 0.02 0.00 0.00 55.36 55.19 1h3g s GLN 69 Cb -0.48 -2.80 0.02 0.00 1.00 0.00 0.00 33.01 30.75 1h3g s GLN 69 CO 0.34 0.44 1.25 -2.14 -2.12 0.00 0.00 175.29 173.07 1h3g s PRO 70 N -3.73 2.24 0.00 2.91 0.02 -1.26 -4.82 135.00 130.36 1h3g s PRO 70 Ca 0.34 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1h3g s PRO 70 Cb -0.09 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1h3g s PRO 70 CO 0.27 -1.79 0.00 0.41 -0.33 0.00 0.00 177.00 175.56 1h3g n GLY 71 N 0.66 0.01 3.39 0.52 0.00 -0.05 -4.98 105.19 104.75 1h3g n GLY 71 Ca 0.15 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1h3g n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h3g s SER 72 N -4.00 -0.42 -0.11 1.61 1.04 -1.26 -0.25 113.70 110.30 1h3g s SER 72 Ca 0.00 -0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 1h3g s SER 72 Cb 0.00 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.70 1h3g s SER 72 CO 0.00 -0.93 0.34 0.72 0.98 0.00 0.00 173.24 174.35 1h3g s PHE 73 N -3.78 -0.35 0.26 5.02 -0.12 -0.48 -4.96 117.98 113.58 1h3g s PHE 73 Ca 0.02 0.83 -0.29 0.00 -0.05 0.00 0.00 56.93 57.43 1h3g s PHE 73 Cb 0.00 0.12 -0.09 0.00 -0.63 0.00 0.00 43.02 42.42 1h3g s PHE 73 CO -0.12 -0.21 1.18 -0.51 -0.05 0.00 0.00 175.22 175.51 1h3g s ASP 74 N -0.03 7.10 -0.30 1.98 1.01 -1.26 -0.21 116.67 124.96 1h3g s ASP 74 Ca -0.02 2.35 -0.09 0.00 0.71 0.00 0.00 52.55 55.50 1h3g s ASP 74 Cb -0.03 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1h3g s ASP 74 CO 0.01 -0.30 0.13 -0.63 0.21 0.00 0.00 175.17 174.59 1h3g s ILE 75 N -0.81 4.52 -0.15 0.77 1.01 0.11 -4.33 121.20 122.33 1h3g s ILE 75 Ca 0.48 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 1h3g s ILE 75 Cb -0.34 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1h3g s ILE 75 CO 0.42 0.12 0.03 0.68 0.00 0.00 0.00 174.94 176.19 1h3g s VAL 76 N 1.61 4.53 -0.24 2.92 -7.23 0.92 -1.26 120.40 121.65 1h3g s VAL 76 Ca 0.05 -0.14 -0.05 0.00 -1.81 0.00 0.00 61.98 60.03 1h3g s VAL 76 Cb -0.17 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 1h3g s VAL 76 CO 0.06 0.51 0.00 -0.36 -0.31 0.00 0.00 175.10 175.00 1h3g s PHE 77 N -0.04 3.02 -0.09 2.82 0.40 0.11 -1.23 117.98 122.97 1h3g s PHE 77 Ca 0.05 -0.80 0.04 0.00 -0.60 0.00 0.00 56.93 55.62 1h3g s PHE 77 Cb -0.12 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 1h3g s PHE 77 CO 0.01 -0.50 -0.22 0.15 0.70 0.00 0.00 175.22 175.37 1h3g s LYS 78 N 1.52 2.90 -0.25 0.44 1.02 -0.13 0.55 119.74 125.80 1h3g s LYS 78 Ca 0.06 -0.85 -0.28 0.00 0.02 0.00 0.00 55.97 54.92 1h3g s LYS 78 Cb -0.15 -2.31 0.16 0.00 -0.52 0.00 0.00 37.83 35.01 1h3g s LYS 78 CO -0.01 0.28 1.22 0.20 -0.92 0.00 0.00 175.35 176.13 1h3g s GLY 79 N 0.11 -0.01 -1.36 -3.33 0.00 -0.70 -0.10 107.32 101.93 1h3g s GLY 79 Ca -0.11 2.67 -0.17 0.00 0.00 0.00 0.00 44.72 47.11 1h3g s GLY 79 CO 0.06 1.29 0.33 1.22 0.00 0.00 0.00 173.10 176.00 1h3g n ASP 80 N 0.92 -1.48 0.00 1.64 8.00 -1.26 -0.82 116.55 123.55 1h3g n ASP 80 Ca -0.06 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1h3g n ASP 80 Cb 0.58 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1h3g n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h3g n GLY 81 N -2.33 1.15 3.68 0.44 0.00 -1.26 -4.94 105.19 101.93 1h3g n GLY 81 Ca -0.22 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1h3g n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1h3g s ARG 82 N 0.00 1.16 -0.09 1.61 1.70 0.00 -5.04 118.95 118.28 1h3g s ARG 82 Ca 0.00 1.37 -0.04 0.00 -0.47 0.00 0.00 55.73 56.59 1h3g s ARG 82 Cb 0.00 -1.76 0.05 0.00 -0.57 0.00 0.00 34.95 32.67 1h3g s ARG 82 CO 0.00 -2.48 0.20 0.45 -1.08 0.00 0.00 175.30 172.39 1h3g s SER 83 N -2.86 0.12 0.32 -2.89 0.15 -1.26 -1.72 113.70 105.55 1h3g s SER 83 Ca 0.65 0.43 0.10 0.00 0.70 0.00 0.00 55.95 57.83 1h3g s SER 83 Cb -0.21 0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 64.40 1h3g s SER 83 CO 0.58 -0.19 -0.09 -1.61 1.20 0.00 0.00 173.24 173.13 1h3g s GLU 84 N 1.68 1.88 -0.05 5.44 0.41 0.19 -4.96 118.70 123.29 1h3g s GLU 84 Ca -0.05 -1.80 -0.07 0.00 -0.41 0.00 0.00 54.97 52.64 1h3g s GLU 84 Cb -0.11 -1.82 0.01 0.00 -1.78 0.00 0.00 34.13 30.43 1h3g s GLU 84 CO -0.07 0.21 0.19 0.50 -0.49 0.00 0.00 175.26 175.60 1h3g s ARG 85 N -3.61 0.32 -0.04 1.61 3.52 -1.26 0.04 118.95 119.53 1h3g s ARG 85 Ca 0.32 0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.98 1h3g s ARG 85 Cb -0.01 0.15 0.03 0.00 -1.56 0.00 0.00 34.95 33.55 1h3g s ARG 85 CO 0.17 -0.06 0.02 -0.47 -0.81 0.00 0.00 175.30 174.15 1h3g s TYR 86 N -0.37 0.30 -0.55 5.12 6.14 -0.39 -4.96 117.35 122.64 1h3g s TYR 86 Ca -0.05 0.04 -0.28 0.00 0.64 0.00 0.00 57.07 57.43 1h3g s TYR 86 Cb -0.03 -0.50 0.02 0.00 0.42 0.00 0.00 41.96 41.87 1h3g s TYR 86 CO 0.01 -0.18 1.30 0.50 0.64 0.00 0.00 175.55 177.82 1h3g s ARG 87 N 1.53 3.45 -0.28 4.97 3.00 -1.26 0.06 118.95 130.42 1h3g s ARG 87 Ca -0.03 0.43 -0.12 0.00 -1.00 0.00 0.00 55.73 55.01 1h3g s ARG 87 Cb -0.13 -4.05 -0.05 0.00 0.00 0.00 0.00 34.95 30.72 1h3g s ARG 87 CO -0.03 -1.75 0.21 -0.47 0.00 0.00 0.00 175.30 173.26 1h3g s TYR 88 N 5.42 3.22 0.00 5.12 5.04 0.71 -4.91 117.35 131.95 1h3g s TYR 88 Ca 0.49 0.14 -0.14 0.00 -2.44 0.00 0.00 57.07 55.12 1h3g s TYR 88 Cb -0.09 -2.41 -0.06 0.00 0.35 0.00 0.00 41.96 39.75 1h3g s TYR 88 CO 0.26 -0.18 0.39 1.03 -1.34 0.00 0.00 175.55 175.72 1h3g s ARG 89 N 1.79 3.87 -0.26 4.97 0.52 -1.26 -1.38 118.95 127.21 1h3g s ARG 89 Ca 0.08 0.35 -0.03 0.00 -0.52 0.00 0.00 55.73 55.61 1h3g s ARG 89 Cb -0.16 -3.19 0.02 0.00 0.52 0.00 0.00 34.95 32.14 1h3g s ARG 89 CO 0.11 0.68 -0.02 -0.51 0.02 0.00 0.00 175.30 175.58 1h3g s LEU 90 N -1.19 3.31 0.41 2.53 1.02 0.65 -1.85 118.68 123.57 1h3g s LEU 90 Ca 0.24 -0.76 -0.04 0.00 0.02 0.00 0.00 54.13 53.60 1h3g s LEU 90 Cb -0.16 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 1h3g s LEU 90 CO 0.13 -0.13 0.68 -0.76 0.02 0.00 0.00 176.35 176.30 1h3g s LEU 91 N 1.39 3.81 0.22 1.79 1.02 0.53 -0.87 118.68 126.58 1h3g s LEU 91 Ca 0.02 0.76 -0.27 0.00 0.02 0.00 0.00 54.13 54.65 1h3g s LEU 91 Cb -0.16 -3.67 -0.09 0.00 0.02 0.00 0.00 46.19 42.29 1h3g s LEU 91 CO -0.03 -0.43 0.87 0.00 0.02 0.00 0.00 176.35 176.78 1h3g s ALA 92 N -2.51 3.37 0.32 4.21 0.00 -1.26 -1.01 121.76 124.88 1h3g s ALA 92 Ca 0.45 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1h3g s ALA 92 Cb -0.10 -3.09 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1h3g s ALA 92 CO 0.40 0.25 0.75 1.03 0.00 0.00 0.00 175.76 178.18 1h3g s ARG 93 N -1.28 4.06 0.54 0.00 0.52 -1.26 -4.95 118.95 116.57 1h3g s ARG 93 Ca 0.40 0.74 -0.22 0.00 -0.52 0.00 0.00 55.73 56.13 1h3g s ARG 93 Cb -0.24 -2.47 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 1h3g s ARG 93 CO 0.28 0.17 1.29 -1.91 0.02 0.00 0.00 175.30 175.15 1h3g n GLU 94 N -0.23 1.58 -1.89 3.54 4.07 -1.26 -4.91 120.64 121.55 1h3g n GLU 94 Ca 0.03 0.58 -0.41 0.00 -0.06 0.00 0.00 57.16 57.30 1h3g n GLU 94 Cb 0.53 -2.48 -0.02 0.00 -0.06 0.00 0.00 31.44 29.41 1h3g n GLU 94 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1h3g s GLN 95 N -2.78 4.19 0.00 5.31 0.74 -1.26 -1.68 119.66 124.17 1h3g s GLN 95 Ca 0.71 2.46 0.00 0.00 0.05 0.00 0.00 55.36 58.58 1h3g s GLN 95 Cb -0.43 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.64 1h3g s GLN 95 CO 0.50 -0.50 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 1h3g n GLY 96 N 1.66 0.31 0.15 2.59 0.00 -1.26 -4.91 105.19 103.73 1h3g n GLY 96 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1h3g n GLY 96 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1h3g h SER 97 N 0.00 0.14 0.16 1.61 0.87 -1.68 -2.14 113.55 112.51 1h3g h SER 97 Ca 0.00 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 1h3g h SER 97 Cb 0.39 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1h3g h SER 97 CO 0.00 0.12 -0.30 0.00 -0.53 0.00 0.00 176.83 176.12 1h3g h ALA 98 N 1.22 1.28 -0.48 6.23 0.00 -1.84 -2.68 119.26 122.99 1h3g h ALA 98 Ca 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1h3g h ALA 98 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1h3g h ALA 98 CO -0.16 0.49 0.00 1.04 0.00 0.00 0.00 179.25 180.62 1h3g n GLN 99 N -4.12 2.62 -1.56 0.00 1.13 -0.95 -3.98 117.38 110.52 1h3g n GLN 99 Ca -0.01 -1.94 -0.49 0.00 -1.94 0.00 0.00 57.00 52.61 1h3g n GLN 99 Cb 0.39 -1.58 -0.04 0.00 0.11 0.00 0.00 30.24 29.13 1h3g n GLN 99 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1h3g n ARG 100 N 0.85 1.00 -2.80 -1.09 1.85 -0.85 -4.76 116.66 110.86 1h3g n ARG 100 Ca 0.18 0.36 -0.41 0.00 -1.00 0.00 0.00 57.85 56.97 1h3g n ARG 100 Cb 0.57 -1.81 -0.03 0.00 -1.05 0.00 0.00 32.46 30.13 1h3g n ARG 100 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1h3g s GLN 101 N -0.47 4.50 0.68 2.89 2.00 -1.26 -3.90 119.66 124.09 1h3g s GLN 101 Ca 0.73 1.26 -0.08 0.00 -2.00 0.00 0.00 55.36 55.27 1h3g s GLN 101 Cb -0.88 -3.47 0.03 0.00 0.80 0.00 0.00 33.01 29.49 1h3g s GLN 101 CO 0.53 -0.07 1.01 0.20 -0.50 0.00 0.00 175.29 176.47 1h3g s GLY 102 N 0.98 1.63 0.43 2.59 0.00 0.66 -4.85 107.32 108.75 1h3g s GLY 102 Ca 0.47 -0.68 -0.26 0.00 0.00 0.00 0.00 44.72 44.26 1h3g s GLY 102 CO 0.24 -0.31 1.40 -0.11 0.00 0.00 0.00 173.10 174.31 1h3g s PHE 103 N -3.22 2.59 0.09 1.90 -0.12 -1.04 -4.74 117.98 113.44 1h3g s PHE 103 Ca 0.58 1.29 0.02 0.00 -0.05 0.00 0.00 56.93 58.77 1h3g s PHE 103 Cb -0.11 -3.86 -0.01 0.00 -0.63 0.00 0.00 43.02 38.42 1h3g s PHE 103 CO 0.47 -2.69 0.07 0.41 -0.05 0.00 0.00 175.22 173.44 1h3g n GLY 104 N 0.59 3.74 0.36 1.99 0.00 -1.26 -4.60 105.19 106.01 1h3g n GLY 104 Ca 0.04 -1.75 0.18 0.00 0.00 0.00 0.00 46.02 44.48 1h3g n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1h3g h PRO 105 N 0.00 0.00 0.00 1.61 0.11 -1.86 0.38 132.00 132.24 1h3g h PRO 105 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1h3g h PRO 105 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1h3g h PRO 105 CO 0.10 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.67 1h3g h GLY 106 N 0.00 0.00 -1.89 -0.55 0.00 -1.92 -3.42 103.07 95.29 1h3g h GLY 106 Ca 0.09 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.94 1h3g h GLY 106 CO -0.00 0.00 0.10 0.99 0.00 0.00 0.00 176.54 177.63 1h3g s ASP 107 N -5.00 5.93 -0.06 0.19 1.01 0.12 -4.78 116.67 114.08 1h3g s ASP 107 Ca 0.09 0.74 0.01 0.00 0.71 0.00 0.00 52.55 54.09 1h3g s ASP 107 Cb 0.10 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 42.13 1h3g s ASP 107 CO 0.60 -0.78 -0.06 0.00 0.21 0.00 0.00 175.17 175.13 1h3g s ALA 108 N -2.80 0.92 -0.16 5.23 0.00 -1.26 -4.12 121.76 119.57 1h3g s ALA 108 Ca 0.50 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1h3g s ALA 108 Cb -0.10 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1h3g s ALA 108 CO 0.44 -0.11 0.22 0.42 0.00 0.00 0.00 175.76 176.72 1h3g s ILE 109 N 1.14 5.35 -0.28 0.00 1.01 0.47 -1.42 121.20 127.47 1h3g s ILE 109 Ca -0.07 0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.91 1h3g s ILE 109 Cb -0.14 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1h3g s ILE 109 CO -0.01 0.46 0.07 -0.47 0.00 0.00 0.00 174.94 174.98 1h3g s TYR 110 N 0.08 3.13 -0.11 3.97 5.04 -0.36 0.85 117.35 129.94 1h3g s TYR 110 Ca 0.14 -0.94 -0.11 0.00 -2.44 0.00 0.00 57.07 53.71 1h3g s TYR 110 Cb -0.12 -2.23 -0.05 0.00 0.35 0.00 0.00 41.96 39.90 1h3g s TYR 110 CO 0.03 -0.56 0.24 -1.14 -1.34 0.00 0.00 175.55 172.78 1h3g s GLN 111 N 1.50 3.88 0.00 4.97 0.74 0.11 -1.22 119.66 129.64 1h3g s GLN 111 Ca 0.03 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.49 1h3g s GLN 111 Cb -0.17 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.65 1h3g s GLN 111 CO 0.02 0.55 0.00 0.44 -0.55 0.00 0.00 175.29 175.75 1h3g n ILE 112 N 2.59 0.00 0.00 -2.34 -5.35 -0.56 -0.55 119.36 113.15 1h3g n ILE 112 Ca -0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1h3g n ILE 112 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1h3g n ILE 112 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1h3g n PRO 114 N 0.00 0.00 0.23 6.28 -0.02 -1.26 -1.55 135.00 138.68 1h3g n PRO 114 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.63 1h3g n PRO 114 Cb 0.00 -0.86 0.56 0.00 -0.02 0.00 0.00 33.50 33.17 1h3g n PRO 114 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1h3g h ASP 115 N 0.00 0.00 -0.09 2.55 1.82 -1.86 -2.88 116.42 115.96 1h3g h ASP 115 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1h3g h ASP 115 Cb 0.95 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.96 1h3g h ASP 115 CO 0.00 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.17 1h3g n ARG 116 N -2.85 1.13 -0.01 0.28 5.12 -1.26 -0.96 116.66 118.10 1h3g n ARG 116 Ca 0.02 -1.40 -0.01 0.00 -1.93 0.00 0.00 57.85 54.52 1h3g n ARG 116 Cb 0.33 -1.24 -0.00 0.00 -1.16 0.00 0.00 32.46 30.38 1h3g n ARG 116 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1h3g n PHE 117 N 0.66 0.05 -3.69 -1.55 7.35 -1.20 -1.32 117.46 117.76 1h3g n PHE 117 Ca 0.08 0.02 -0.13 0.00 -0.76 0.00 0.00 57.45 56.67 1h3g n PHE 117 Cb 0.33 -0.17 -0.13 0.00 0.35 0.00 0.00 39.48 39.86 1h3g n PHE 117 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1h3g s ALA 118 N -2.97 -0.62 -0.98 3.13 0.00 -1.26 -4.09 121.76 114.96 1h3g s ALA 118 Ca -0.04 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 1h3g s ALA 118 Cb 0.01 -0.87 0.18 0.00 0.00 0.00 0.00 23.12 22.44 1h3g s ALA 118 CO 0.06 -0.43 1.09 1.21 0.00 0.00 0.00 175.76 177.69 1h3g s ASN 119 N 1.87 6.85 0.27 0.00 3.84 0.18 -1.22 114.94 126.73 1h3g s ASN 119 Ca -0.04 -2.63 0.26 0.00 0.21 0.00 0.00 52.86 50.65 1h3g s ASN 119 Cb -0.11 -2.32 0.79 0.00 -0.55 0.00 0.00 41.25 39.06 1h3g s ASN 119 CO -0.09 -0.76 1.75 1.23 -2.79 0.00 0.00 177.10 176.44 1h3g h GLY 120 N 9.03 0.00 -6.66 1.21 0.00 -1.81 -3.42 103.07 101.41 1h3g h GLY 120 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.17 1h3g h GLY 120 CO 1.02 0.00 -0.64 -0.35 0.00 0.00 0.00 176.54 176.57 1h3g s ASP 121 N -4.80 1.70 0.50 0.19 2.15 -1.26 -4.71 116.67 110.45 1h3g s ASP 121 Ca 0.09 -0.54 0.29 0.00 0.43 0.00 0.00 52.55 52.81 1h3g s ASP 121 Cb 0.11 0.37 1.18 0.00 -0.30 0.00 0.00 42.92 44.28 1h3g s ASP 121 CO 0.57 -0.36 1.92 -0.65 -0.17 0.00 0.00 175.17 176.48 1h3g h PRO 122 N 8.30 0.00 0.00 4.34 0.11 -1.89 -3.15 132.00 139.70 1h3g h PRO 122 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1h3g h PRO 122 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1h3g h PRO 122 CO 0.32 0.11 0.00 0.66 -0.21 0.00 0.00 178.00 178.88 1h3g h SER 123 N 0.00 0.00 -0.44 -2.05 4.64 -1.95 -2.23 113.55 111.52 1h3g h SER 123 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h3g h SER 123 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1h3g h SER 123 CO 0.01 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.51 1h3g n ASN 124 N -2.44 3.51 -0.20 4.97 0.23 -1.19 -4.37 115.26 115.77 1h3g n ASN 124 Ca 0.02 -1.98 0.03 0.00 -0.53 0.00 0.00 54.58 52.12 1h3g n ASN 124 Cb 0.27 -0.28 0.29 0.00 -2.08 0.00 0.00 39.78 37.97 1h3g n ASN 124 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1h3g h ASP 125 N 4.31 0.78 -4.27 0.53 5.19 -1.54 -3.39 116.42 118.02 1h3g h ASP 125 Ca 0.00 -0.01 -0.50 0.00 -0.62 0.00 0.00 57.03 55.90 1h3g h ASP 125 Cb 0.97 -0.18 -0.27 0.00 0.18 0.00 0.00 39.33 40.02 1h3g h ASP 125 CO 0.00 0.54 -0.82 0.20 -3.12 0.00 0.00 179.24 176.04 1h3g s ASN 126 N -6.30 1.87 -0.00 6.45 0.01 -1.26 -4.68 114.94 111.03 1h3g s ASN 126 Ca -0.10 -0.36 0.01 0.00 -0.71 0.00 0.00 52.86 51.69 1h3g s ASN 126 Cb 0.18 -0.18 -0.00 0.00 0.41 0.00 0.00 41.25 41.67 1h3g s ASN 126 CO 0.78 0.14 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.79 1h3g s VAL 127 N -0.56 0.28 0.16 1.60 1.01 -1.26 -4.98 120.40 116.65 1h3g s VAL 127 Ca 0.05 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 1h3g s VAL 127 Cb -0.07 -0.24 0.08 0.00 0.00 0.00 0.00 36.38 36.14 1h3g s VAL 127 CO 0.00 0.08 1.25 0.00 0.00 0.00 0.00 175.10 176.44 1h3g n ALA 128 N 3.06 -0.30 0.00 5.51 0.00 -1.26 -4.81 120.51 122.71 1h3g n ALA 128 Ca -0.13 0.75 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1h3g n ALA 128 Cb 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1h3g n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3g n GLY 129 N -1.30 0.00 0.80 0.00 0.00 -1.26 -5.12 105.19 98.31 1h3g n GLY 129 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1h3g n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3g n ARG 131 N -0.53 0.14 -2.40 1.61 1.74 -1.26 -5.17 116.66 110.79 1h3g n ARG 131 Ca 0.00 0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 1h3g n ARG 131 Cb 0.00 -0.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.68 1h3g n ARG 131 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1h3g s GLU 132 N -2.17 4.18 0.50 5.56 2.12 -1.21 -4.98 118.70 122.70 1h3g s GLU 132 Ca -0.09 1.63 -0.11 0.00 0.36 0.00 0.00 54.97 56.77 1h3g s GLU 132 Cb 0.03 -3.79 -0.06 0.00 0.26 0.00 0.00 34.13 30.57 1h3g s GLU 132 CO 0.12 -0.77 0.88 -1.14 -0.54 0.00 0.00 175.26 173.80 1h3g s GLN 133 N 3.63 3.72 -0.04 4.30 2.00 -1.26 -4.89 119.66 127.12 1h3g s GLN 133 Ca 0.56 0.58 -0.20 0.00 -2.00 0.00 0.00 55.36 54.30 1h3g s GLN 133 Cb -0.22 -2.26 0.04 0.00 0.80 0.00 0.00 33.01 31.38 1h3g s GLN 133 CO 0.16 -0.25 0.44 0.00 -0.50 0.00 0.00 175.29 175.14 1h3g s ALA 134 N -2.70 -1.12 0.06 1.58 0.00 -1.26 -4.80 121.76 113.51 1h3g s ALA 134 Ca 0.53 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1h3g s ALA 134 Cb -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1h3g s ALA 134 CO 0.40 -0.29 -0.04 -0.51 0.00 0.00 0.00 175.76 175.31 1h3g s ASP 135 N -1.16 0.63 0.22 0.00 1.01 -1.19 -4.83 116.67 111.35 1h3g s ASP 135 Ca -0.12 -0.87 -0.07 0.00 0.71 0.00 0.00 52.55 52.20 1h3g s ASP 135 Cb -0.03 0.14 0.31 0.00 1.01 0.00 0.00 42.92 44.35 1h3g s ASP 135 CO 0.06 -0.48 1.80 0.03 0.21 0.00 0.00 175.17 176.79 1h3g h ARG 136 N 3.50 0.65 -1.53 8.23 3.08 -1.82 -3.08 114.38 123.41 1h3g h ARG 136 Ca -0.34 -0.04 0.44 0.00 0.07 0.00 0.00 59.98 60.11 1h3g h ARG 136 Cb 1.16 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 31.01 1h3g h ARG 136 CO 0.59 0.43 1.13 0.00 -1.07 0.00 0.00 179.97 181.05 1h3g h ARG 137 N 0.67 0.00 -5.63 0.04 3.08 -1.97 -3.40 114.38 107.17 1h3g h ARG 137 Ca 0.34 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.80 1h3g h ARG 137 Cb 0.30 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.25 1h3g h ARG 137 CO -0.23 0.00 -0.05 -1.58 -1.07 0.00 0.00 179.97 177.04 1h3g s HIS 138 N -4.86 3.42 0.67 3.04 2.46 -1.16 -4.94 115.29 113.91 1h3g s HIS 138 Ca -0.05 0.84 0.41 0.00 0.47 0.00 0.00 55.06 56.73 1h3g s HIS 138 Cb 0.24 -2.65 2.23 0.00 -0.13 0.00 0.00 32.58 32.26 1h3g s HIS 138 CO 0.82 -0.02 2.26 0.78 -2.47 0.00 0.00 174.74 176.11 1h3g h GLY 139 N 7.55 0.00 -0.43 1.59 0.00 -1.91 0.41 103.07 110.29 1h3g h GLY 139 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1h3g h GLY 139 CO 0.75 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1h3g n GLY 140 N -1.12 4.19 3.99 4.60 0.00 -1.26 -4.56 105.19 111.03 1h3g n GLY 140 Ca -0.03 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 1h3g n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3g s GLY 141 N -2.18 1.77 -0.35 -0.02 0.00 0.13 -3.97 107.32 102.70 1h3g s GLY 141 Ca 0.27 -1.71 -0.18 0.00 0.00 0.00 0.00 44.72 43.11 1h3g s GLY 141 CO 0.05 -1.21 0.49 0.50 0.00 0.00 0.00 173.10 172.92 1h3g s ARG 142 N -4.99 3.61 0.13 2.90 0.52 -1.26 -4.74 118.95 115.12 1h3g s ARG 142 Ca 0.64 -0.20 0.26 0.00 -0.52 0.00 0.00 55.73 55.91 1h3g s ARG 142 Cb -0.06 -3.81 0.83 0.00 0.52 0.00 0.00 34.95 32.42 1h3g s ARG 142 CO 0.42 -0.62 1.72 0.72 0.02 0.00 0.00 175.30 177.56 1h3g n HIS 143 N 5.68 0.58 0.00 -0.53 8.25 -1.26 -3.14 115.22 124.81 1h3g n HIS 143 Ca -0.05 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1h3g n HIS 143 Cb 0.49 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1h3g n HIS 143 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h3g n GLY 144 N 1.37 0.90 3.74 -1.41 0.00 -1.23 -4.62 105.19 103.94 1h3g n GLY 144 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1h3g n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3g n GLY 145 N -1.77 0.73 3.59 -0.02 0.00 -0.14 -4.43 105.19 103.15 1h3g n GLY 145 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1h3g n GLY 145 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1h3g s ASP 146 N -0.94 0.32 0.17 1.61 3.84 -0.36 -3.96 116.67 117.35 1h3g s ASP 146 Ca 0.72 -1.18 -0.13 0.00 -0.00 0.00 0.00 52.55 51.96 1h3g s ASP 146 Cb -0.42 0.67 0.06 0.00 -1.38 0.00 0.00 42.92 41.85 1h3g s ASP 146 CO 0.49 -1.31 1.77 0.40 -0.00 0.00 0.00 175.17 176.53 1h3g h ILE 147 N 2.15 1.19 -0.97 2.11 2.04 -1.48 -2.47 117.51 120.07 1h3g h ILE 147 Ca -0.28 -0.48 0.14 0.00 1.00 0.00 0.00 64.86 65.24 1h3g h ILE 147 Cb 1.25 0.50 -0.09 0.00 -0.74 0.00 0.00 36.82 37.74 1h3g h ILE 147 CO 0.37 0.20 0.59 -0.09 0.00 0.00 0.00 178.15 179.23 1h3g h ARG 148 N 0.74 0.86 -0.54 2.37 9.65 -1.89 0.43 114.38 126.00 1h3g h ARG 148 Ca 0.19 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1h3g h ARG 148 Cb 0.06 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 1h3g h ARG 148 CO -0.03 0.57 0.12 0.78 2.80 0.00 0.00 179.97 184.21 1h3g h GLY 149 N 0.89 0.94 0.92 2.80 0.00 -1.56 -1.40 103.07 105.66 1h3g h GLY 149 Ca 0.51 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1h3g h GLY 149 CO -0.30 0.56 0.12 -0.84 0.00 0.00 0.00 176.54 176.08 1h3g h THR 150 N 0.77 1.19 -0.67 4.70 2.02 -0.81 -2.71 112.91 117.39 1h3g h THR 150 Ca 0.17 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 66.75 1h3g h THR 150 Cb 0.36 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1h3g h THR 150 CO 0.00 0.21 0.44 0.40 0.37 0.00 0.00 175.52 176.94 1h3g h ILE 151 N 0.38 1.17 0.00 3.11 2.04 -0.78 -0.88 117.51 122.56 1h3g h ILE 151 Ca 0.11 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1h3g h ILE 151 Cb 0.21 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1h3g h ILE 151 CO -0.01 0.17 0.00 0.47 0.00 0.00 0.00 178.15 178.78 1h3g n ASP 152 N -4.43 0.00 -0.15 1.72 8.00 -0.54 -2.90 116.55 118.25 1h3g n ASP 152 Ca 0.07 0.40 0.03 0.00 0.71 0.00 0.00 54.79 56.00 1h3g n ASP 152 Cb 0.04 -0.44 0.05 0.00 -0.02 0.00 0.00 41.12 40.75 1h3g n ASP 152 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1h3g n HIS 153 N -1.44 0.00 -0.32 1.24 8.25 -0.37 -4.74 115.22 117.84 1h3g n HIS 153 Ca 0.03 -0.46 -0.04 0.00 -0.26 0.00 0.00 57.72 56.99 1h3g n HIS 153 Cb 0.10 -0.08 0.08 0.00 1.12 0.00 0.00 29.99 31.22 1h3g n HIS 153 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1h3g h LEU 154 N 0.00 1.04 -1.54 2.41 3.38 -1.34 -1.49 115.31 117.77 1h3g h LEU 154 Ca 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1h3g h LEU 154 Cb 0.98 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1h3g h LEU 154 CO 0.00 0.79 0.01 0.44 0.09 0.00 0.00 178.44 179.78 1h3g h ASP 155 N 1.20 0.27 -0.24 -0.43 3.32 -1.85 0.94 116.42 119.63 1h3g h ASP 155 Ca 0.32 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 1h3g h ASP 155 Cb -0.07 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1h3g h ASP 155 CO -0.06 0.32 -0.14 0.22 -1.72 0.00 0.00 179.24 177.86 1h3g h TYR 156 N 0.30 0.60 0.09 4.55 3.20 -1.72 0.58 116.97 124.57 1h3g h TYR 156 Ca 0.07 -0.16 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1h3g h TYR 156 Cb 0.19 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1h3g h TYR 156 CO 0.00 0.80 -0.04 0.82 -1.64 0.00 0.00 178.16 178.10 1h3g h ILE 157 N 0.23 1.08 -0.85 1.81 2.04 -0.28 0.72 117.51 122.26 1h3g h ILE 157 Ca 0.05 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.29 1h3g h ILE 157 Cb 0.66 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 1h3g h ILE 157 CO 0.04 0.16 0.55 0.00 0.00 0.00 0.00 178.15 178.90 1h3g h ALA 158 N 0.45 1.10 -0.92 1.87 0.00 0.83 -1.71 119.26 120.88 1h3g h ALA 158 Ca -0.01 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1h3g h ALA 158 Cb 0.35 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1h3g h ALA 158 CO 0.02 0.43 0.56 0.78 0.00 0.00 0.00 179.25 181.04 1h3g h GLY 159 N 1.11 1.46 2.00 0.00 0.00 0.54 -0.33 103.07 107.85 1h3g h GLY 159 Ca 0.32 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1h3g h GLY 159 CO -0.09 0.16 0.00 1.04 0.00 0.00 0.00 176.54 177.65 1h3g n LEU 160 N -4.67 0.57 0.00 3.11 4.77 0.21 -4.84 117.00 116.17 1h3g n LEU 160 Ca 0.16 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 1h3g n LEU 160 Cb 0.30 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1h3g n LEU 160 CO 0.28 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 176.16 1h3g n GLY 161 N -0.81 1.01 3.83 -0.72 0.00 -0.13 -4.05 105.19 104.31 1h3g n GLY 161 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1h3g n GLY 161 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3g s PHE 162 N -2.00 3.55 0.00 1.61 0.08 -1.16 -4.52 117.98 115.54 1h3g s PHE 162 Ca 0.00 1.25 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1h3g s PHE 162 Cb 0.00 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 1h3g s PHE 162 CO 0.00 0.27 0.62 0.25 -0.10 0.00 0.00 175.22 176.27 1h3g n THR 163 N 0.36 0.39 -3.85 0.64 -2.24 -0.51 -4.33 114.28 104.74 1h3g n THR 163 Ca -0.01 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 1h3g n THR 163 Cb 0.52 0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 69.57 1h3g n THR 163 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1h3g s GLN 164 N -0.39 0.09 -0.19 -0.78 -1.52 -1.02 -0.97 119.66 114.89 1h3g s GLN 164 Ca 0.00 0.08 -0.02 0.00 -1.95 0.00 0.00 55.36 53.47 1h3g s GLN 164 Cb 0.00 0.04 -0.00 0.00 -0.22 0.00 0.00 33.01 32.83 1h3g s GLN 164 CO 0.00 -0.01 -0.11 -1.17 -0.25 0.00 0.00 175.29 173.75 1h3g s LEU 165 N -0.02 2.64 -0.40 2.90 2.96 0.45 -1.22 118.68 125.99 1h3g s LEU 165 Ca -0.01 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1h3g s LEU 165 Cb -0.01 -1.64 0.11 0.00 0.50 0.00 0.00 46.19 45.16 1h3g s LEU 165 CO 0.00 0.03 0.13 0.86 -1.32 0.00 0.00 176.35 176.05 1h3g s TRP 166 N 1.16 3.57 0.17 5.38 -0.00 -0.36 -0.36 118.94 128.49 1h3g s TRP 166 Ca 0.01 -3.05 -0.17 0.00 -0.00 0.00 0.00 56.10 52.90 1h3g s TRP 166 Cb -0.14 -2.90 -0.07 0.00 -0.00 0.00 0.00 33.47 30.35 1h3g s TRP 166 CO -0.04 -0.88 0.62 -1.25 -0.00 0.00 0.00 176.95 175.40 1h3g s PRO 167 N 0.50 4.11 1.12 5.86 0.04 -1.25 -1.50 135.00 143.88 1h3g s PRO 167 Ca 0.13 0.67 -0.13 0.00 0.04 0.00 0.00 61.00 61.71 1h3g s PRO 167 Cb -0.21 -2.95 0.26 0.00 0.04 0.00 0.00 34.50 31.64 1h3g s PRO 167 CO -0.05 0.47 1.05 0.95 0.04 0.00 0.00 177.00 179.45 1h3g s THR 168 N -1.44 2.03 0.21 1.26 -4.23 -0.59 -3.71 115.64 109.16 1h3g s THR 168 Ca 0.39 0.01 -0.32 0.00 -1.18 0.00 0.00 61.69 60.58 1h3g s THR 168 Cb -0.16 -2.19 -0.13 0.00 1.34 0.00 0.00 72.50 71.36 1h3g s THR 168 CO 0.20 -0.01 1.53 -2.65 -0.54 0.00 0.00 174.62 173.14 1h3g n PRO 169 N -4.73 2.24 -0.00 3.99 -0.02 -1.26 -4.69 135.00 130.52 1h3g n PRO 169 Ca 0.04 0.80 0.10 0.00 -2.02 0.00 0.00 63.50 62.41 1h3g n PRO 169 Cb 0.55 -2.53 0.08 0.00 -0.02 0.00 0.00 33.50 31.58 1h3g n PRO 169 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1h3g n LEU 170 N 2.80 2.66 -4.77 2.45 4.32 -1.26 -4.40 117.00 118.80 1h3g n LEU 170 Ca 0.14 -1.01 -0.40 0.00 -0.02 0.00 0.00 56.01 54.71 1h3g n LEU 170 Cb 0.31 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.09 1h3g n LEU 170 CO 0.63 0.46 0.94 0.54 -1.22 0.00 0.00 177.39 178.75 1h3g s VAL 171 N -1.64 2.78 -0.28 4.08 0.11 -1.26 0.36 120.40 124.56 1h3g s VAL 171 Ca 0.23 0.74 -0.38 0.00 -2.93 0.00 0.00 61.98 59.64 1h3g s VAL 171 Cb 0.17 -3.45 -0.17 0.00 -1.53 0.00 0.00 36.38 31.39 1h3g s VAL 171 CO 0.25 0.14 1.21 1.21 -3.33 0.00 0.00 175.10 174.57 1h3g n GLU 172 N 0.47 0.00 -3.76 1.54 2.13 0.26 -4.30 120.64 116.99 1h3g n GLU 172 Ca 0.02 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.56 1h3g n GLU 172 Cb 0.43 -1.28 -0.12 0.00 0.27 0.00 0.00 31.44 30.74 1h3g n GLU 172 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1h3g s ASN 173 N 1.67 3.82 -0.95 4.31 0.02 -1.26 -0.59 114.94 121.95 1h3g s ASN 173 Ca 0.86 -3.34 -0.06 0.00 -1.02 0.00 0.00 52.86 49.30 1h3g s ASN 173 Cb -1.21 -1.26 0.03 0.00 0.02 0.00 0.00 41.25 38.82 1h3g s ASN 173 CO 0.63 -0.16 2.73 -0.67 0.02 0.00 0.00 177.10 179.65 1h3g n ASP 174 N 2.61 7.36 -4.88 -1.22 2.03 -1.26 -4.69 116.55 116.49 1h3g n ASP 174 Ca 0.18 -3.00 -0.29 0.00 0.52 0.00 0.00 54.79 52.19 1h3g n ASP 174 Cb 0.37 -1.36 -0.01 0.00 -0.72 0.00 0.00 41.12 39.40 1h3g n ASP 174 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h3g s ALA 175 N -0.59 3.31 0.17 -1.67 0.00 -1.26 -4.69 121.76 117.03 1h3g s ALA 175 Ca 0.59 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 1h3g s ALA 175 Cb 0.26 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.69 1h3g s ALA 175 CO -0.12 -0.27 1.50 0.00 0.00 0.00 0.00 175.76 176.88 1h3g h ALA 176 N 0.58 0.66 -3.34 0.00 0.00 -1.94 -3.20 119.26 112.02 1h3g h ALA 176 Ca -0.47 -0.47 -0.25 0.00 0.00 0.00 0.00 54.91 53.72 1h3g h ALA 176 Cb 1.19 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.64 1h3g h ALA 176 CO 0.62 0.67 -0.73 0.00 0.00 0.00 0.00 179.25 179.82 1h3g s ALA 177 N -4.24 0.34 -1.28 0.00 0.00 -1.26 -4.43 121.76 110.89 1h3g s ALA 177 Ca -0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 1h3g s ALA 177 Cb 0.11 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.27 1h3g s ALA 177 CO 0.86 -0.03 1.10 0.66 0.00 0.00 0.00 175.76 178.35 1h3g n TYR 178 N 2.02 -2.59 0.93 0.00 4.01 -1.25 -4.89 117.16 115.38 1h3g n TYR 178 Ca -0.20 0.97 0.13 0.00 -0.16 0.00 0.00 57.90 58.65 1h3g n TYR 178 Cb 0.56 -5.00 0.51 0.00 -0.31 0.00 0.00 39.34 35.10 1h3g n TYR 178 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1h3g n SER 179 N -2.99 0.23 -0.08 7.72 3.41 -1.26 -4.10 113.62 116.55 1h3g n SER 179 Ca -0.10 0.37 -0.04 0.00 -0.26 0.00 0.00 58.87 58.85 1h3g n SER 179 Cb 0.60 -0.39 0.18 0.00 -0.26 0.00 0.00 64.21 64.34 1h3g n SER 179 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1h3g h TYR 180 N 0.00 0.77 0.00 7.33 -0.00 -1.85 -3.13 116.97 120.09 1h3g h TYR 180 Ca 0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 58.73 58.58 1h3g h TYR 180 Cb 0.55 -0.21 -0.01 0.00 -0.00 0.00 0.00 36.73 37.06 1h3g h TYR 180 CO 0.00 0.74 -0.20 1.12 -0.00 0.00 0.00 178.16 179.82 1h3g h HIS 181 N 0.68 0.00 0.00 0.10 2.07 -1.94 -3.44 115.15 112.62 1h3g h HIS 181 Ca 0.13 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.65 1h3g h HIS 181 Cb 0.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.44 1h3g h HIS 181 CO 0.02 0.20 0.00 0.41 -3.07 0.00 0.00 177.93 175.50 1h3g n GLY 182 N -0.40 1.74 0.14 6.13 0.00 -1.18 -4.36 105.19 107.26 1h3g n GLY 182 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1h3g n GLY 182 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h3g n TYR 183 N -2.00 0.09 -3.53 1.61 4.01 -1.26 -4.22 117.16 111.86 1h3g n TYR 183 Ca 0.00 -0.05 -0.27 0.00 -0.16 0.00 0.00 57.90 57.43 1h3g n TYR 183 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 1h3g n TYR 183 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h3g n ALA 184 N -0.34 3.16 -1.77 -0.72 0.00 -1.26 -4.82 120.51 114.77 1h3g n ALA 184 Ca 0.06 -3.88 -0.39 0.00 0.00 0.00 0.00 53.44 49.23 1h3g n ALA 184 Cb 0.08 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1h3g n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3g s ALA 185 N -1.05 3.19 0.00 0.00 0.00 -1.26 -3.73 121.76 118.91 1h3g s ALA 185 Ca 0.32 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1h3g s ALA 185 Cb 0.05 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1h3g s ALA 185 CO -0.15 -0.90 0.43 0.25 0.00 0.00 0.00 175.76 175.39 1h3g n THR 186 N -0.07 0.00 -3.15 0.00 -2.24 0.25 -0.14 114.28 108.92 1h3g n THR 186 Ca 0.05 -0.48 0.05 0.00 -2.27 0.00 0.00 64.05 61.39 1h3g n THR 186 Cb 0.44 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1h3g n THR 186 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h3g s ASP 187 N -0.11 -0.96 0.15 3.42 -1.08 -1.24 -3.39 116.67 113.46 1h3g s ASP 187 Ca 0.00 0.22 0.20 0.00 -0.52 0.00 0.00 52.55 52.45 1h3g s ASP 187 Cb 0.00 1.65 0.83 0.00 -1.46 0.00 0.00 42.92 43.94 1h3g s ASP 187 CO 0.00 -0.18 1.60 1.41 0.52 0.00 0.00 175.17 178.53 1h3g n HIS 188 N 5.31 0.47 -0.94 -5.34 8.25 -1.26 -2.85 115.22 118.86 1h3g n HIS 188 Ca 0.04 0.19 0.08 0.00 -0.26 0.00 0.00 57.72 57.77 1h3g n HIS 188 Cb 0.55 -0.80 0.28 0.00 1.12 0.00 0.00 29.99 31.14 1h3g n HIS 188 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1h3g n TYR 189 N -1.93 1.09 -3.72 4.41 4.01 -1.26 -4.95 117.16 114.81 1h3g n TYR 189 Ca 0.03 -0.83 -0.13 0.00 -0.16 0.00 0.00 57.90 56.80 1h3g n TYR 189 Cb 0.20 -0.33 -0.14 0.00 -0.31 0.00 0.00 39.34 38.77 1h3g n TYR 189 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1h3g s ARG 190 N -2.72 0.15 0.29 -0.72 3.52 -1.13 -5.02 118.95 113.32 1h3g s ARG 190 Ca 0.43 0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 56.24 1h3g s ARG 190 Cb 0.34 -0.14 -0.10 0.00 -1.56 0.00 0.00 34.95 33.49 1h3g s ARG 190 CO 0.10 -0.19 1.36 0.42 -0.81 0.00 0.00 175.30 176.18 1h3g s ILE 191 N 1.41 2.74 0.16 4.11 -1.09 -1.26 -0.57 121.20 126.69 1h3g s ILE 191 Ca -0.07 0.68 -0.34 0.00 -2.23 0.00 0.00 60.65 58.69 1h3g s ILE 191 Cb -0.11 -3.43 -0.14 0.00 -1.58 0.00 0.00 42.46 37.19 1h3g s ILE 191 CO -0.08 0.14 1.53 -0.67 -1.23 0.00 0.00 174.94 174.64 1h3g n ASP 192 N 1.52 2.88 0.32 3.58 2.03 0.16 -4.42 116.55 122.61 1h3g n ASP 192 Ca 0.03 1.09 0.20 0.00 0.52 0.00 0.00 54.79 56.63 1h3g n ASP 192 Cb 0.41 -1.40 1.07 0.00 -0.72 0.00 0.00 41.12 40.49 1h3g n ASP 192 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1h3g h PRO 193 N 5.61 0.00 0.00 -0.67 0.11 -1.90 -0.06 132.00 135.09 1h3g h PRO 193 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1h3g h PRO 193 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1h3g h PRO 193 CO 0.86 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 178.47 1h3g h ARG 194 N 0.00 0.00 0.00 1.05 -0.00 -1.87 -2.98 114.38 110.58 1h3g h ARG 194 Ca 0.01 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.41 1h3g h ARG 194 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.11 1h3g h ARG 194 CO -0.00 0.19 -1.67 0.66 0.00 0.00 0.00 179.97 179.15 1h3g n TYR 195 N -3.61 0.45 0.00 3.04 4.01 -0.05 -4.59 117.16 116.41 1h3g n TYR 195 Ca -0.01 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1h3g n TYR 195 Cb 0.32 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.55 1h3g n TYR 195 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h3g n GLY 196 N 1.33 0.91 3.97 2.72 0.00 -1.13 -1.29 105.19 111.70 1h3g n GLY 196 Ca -0.08 -1.94 -0.19 0.00 0.00 0.00 0.00 46.02 43.81 1h3g n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h3g s SER 197 N -4.00 5.39 0.26 1.61 1.04 -1.26 -4.07 113.70 112.67 1h3g s SER 197 Ca 0.00 -0.59 -0.03 0.00 0.48 0.00 0.00 55.95 55.82 1h3g s SER 197 Cb 0.00 -0.50 0.40 0.00 0.10 0.00 0.00 66.02 66.02 1h3g s SER 197 CO 0.00 -0.80 1.87 0.78 0.98 0.00 0.00 173.24 176.07 1h3g h ASN 198 N 0.71 0.99 -0.68 7.02 4.21 -1.95 -0.69 115.58 125.19 1h3g h ASN 198 Ca -0.39 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.11 1h3g h ASN 198 Cb 1.28 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 38.25 1h3g h ASN 198 CO 0.49 0.63 0.35 -0.08 -1.29 0.00 0.00 177.43 177.53 1h3g h GLU 199 N 1.13 0.99 -0.63 0.81 4.57 -1.99 -1.70 114.58 117.75 1h3g h GLU 199 Ca 0.43 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.44 1h3g h GLU 199 Cb 0.19 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1h3g h GLU 199 CO -0.18 0.75 0.21 -0.44 -1.18 0.00 0.00 179.01 178.17 1h3g h ASP 200 N 0.99 0.88 -0.58 1.04 3.32 -1.52 0.73 116.42 121.27 1h3g h ASP 200 Ca 0.25 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1h3g h ASP 200 Cb 0.07 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1h3g h ASP 200 CO -0.04 0.82 0.20 0.15 -1.72 0.00 0.00 179.24 178.66 1h3g h PHE 201 N 0.93 0.91 -0.75 4.55 3.57 -0.53 0.21 116.94 125.82 1h3g h PHE 201 Ca 0.21 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1h3g h PHE 201 Cb 0.25 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1h3g h PHE 201 CO 0.02 0.75 0.32 0.28 -2.23 0.00 0.00 178.31 177.44 1h3g h VAL 202 N 0.80 1.25 -0.80 1.41 2.07 -0.84 -2.28 116.25 117.87 1h3g h VAL 202 Ca 0.19 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1h3g h VAL 202 Cb 0.25 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1h3g h VAL 202 CO -0.01 0.32 0.48 -0.09 0.02 0.00 0.00 177.57 178.29 1h3g h ARG 203 N 1.08 1.08 -0.48 1.57 2.43 -0.30 -1.17 114.38 118.59 1h3g h ARG 203 Ca 0.25 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 1h3g h ARG 203 Cb 0.19 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 1h3g h ARG 203 CO -0.02 0.76 0.12 1.25 -1.51 0.00 0.00 179.97 180.56 1h3g h LEU 204 N 1.09 0.05 -0.20 3.80 5.85 -0.48 0.40 115.31 125.82 1h3g h LEU 204 Ca 0.29 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1h3g h LEU 204 Cb -0.05 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1h3g h LEU 204 CO -0.05 0.06 0.06 -1.28 -0.34 0.00 0.00 178.44 176.88 1h3g h SER 205 N 0.26 0.30 0.03 1.25 0.87 -0.88 0.81 113.55 116.20 1h3g h SER 205 Ca 0.23 -0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 1h3g h SER 205 Cb 0.29 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1h3g h SER 205 CO -0.29 0.43 -0.36 0.71 -0.53 0.00 0.00 176.83 176.80 1h3g h THR 206 N 0.15 1.29 -0.30 2.23 1.35 -0.78 0.43 112.91 117.28 1h3g h THR 206 Ca 0.06 -1.46 -0.16 0.00 -0.55 0.00 0.00 66.41 64.30 1h3g h THR 206 Cb 0.24 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1h3g h THR 206 CO -0.00 0.46 -0.46 -0.33 -0.25 0.00 0.00 175.52 174.93 1h3g h GLU 207 N 0.38 0.79 -0.76 4.72 4.39 -0.13 -2.59 114.58 121.37 1h3g h GLU 207 Ca 0.04 -0.45 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 1h3g h GLU 207 Cb 0.81 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 1h3g h GLU 207 CO 0.07 1.08 0.26 0.00 -1.16 0.00 0.00 179.01 179.26 1h3g h ALA 208 N 0.84 1.00 -0.90 3.43 0.00 -0.47 -2.70 119.26 120.46 1h3g h ALA 208 Ca 0.04 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1h3g h ALA 208 Cb 1.04 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1h3g h ALA 208 CO 0.10 0.66 0.59 -0.09 0.00 0.00 0.00 179.25 180.51 1h3g h ARG 209 N 1.12 1.08 -0.10 0.00 9.65 -0.76 -1.66 114.38 123.72 1h3g h ARG 209 Ca 0.25 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 59.09 1h3g h ARG 209 Cb 0.27 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1h3g h ARG 209 CO -0.01 0.71 0.07 0.87 2.80 0.00 0.00 179.97 184.41 1h3g h LYS 210 N 1.11 0.00 -0.50 0.20 1.57 -1.12 0.39 116.57 118.23 1h3g h LYS 210 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1h3g h LYS 210 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1h3g h LYS 210 CO -0.11 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.31 1h3g n ARG 211 N -4.45 2.25 -2.11 3.15 3.00 -0.64 -5.14 116.66 112.72 1h3g n ARG 211 Ca -0.01 -1.56 -0.03 0.00 -0.01 0.00 0.00 57.85 56.25 1h3g n ARG 211 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1h3g n ARG 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h3g n GLY 212 N 0.97 -0.90 3.30 -0.13 0.00 0.14 -4.95 105.19 103.61 1h3g n GLY 212 Ca 0.14 0.39 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 1h3g n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h3g s GLY 214 N -1.89 0.88 -0.13 -0.02 0.00 -0.14 -4.86 107.32 101.16 1h3g s GLY 214 Ca 0.08 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.57 1h3g s GLY 214 CO 0.33 -1.08 -0.18 -2.27 0.00 0.00 0.00 173.10 169.90 1h3g s LEU 215 N -3.05 1.89 -0.24 0.66 2.96 -1.26 -0.41 118.68 119.22 1h3g s LEU 215 Ca 0.26 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1h3g s LEU 215 Cb 0.05 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 1h3g s LEU 215 CO 0.05 0.03 0.05 -0.63 -1.32 0.00 0.00 176.35 174.53 1h3g s ILE 216 N 1.00 4.12 -0.00 6.68 1.01 0.51 -1.10 121.20 133.42 1h3g s ILE 216 Ca -0.05 -0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 1h3g s ILE 216 Cb -0.15 -2.92 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 1h3g s ILE 216 CO -0.03 0.36 0.55 -1.58 0.00 0.00 0.00 174.94 174.23 1h3g s GLN 217 N 1.57 4.24 -0.20 2.79 0.74 -0.65 -3.87 119.66 124.27 1h3g s GLN 217 Ca 0.06 0.65 -0.21 0.00 0.05 0.00 0.00 55.36 55.91 1h3g s GLN 217 Cb -0.15 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.63 1h3g s GLN 217 CO 0.02 0.45 0.66 0.34 -0.55 0.00 0.00 175.29 176.22 1h3g s ASP 218 N -0.42 6.72 0.02 6.67 -1.08 -1.24 -0.83 116.67 126.51 1h3g s ASP 218 Ca 0.29 0.88 0.06 0.00 -0.52 0.00 0.00 52.55 53.26 1h3g s ASP 218 Cb -0.18 -2.37 -0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1h3g s ASP 218 CO 0.16 -0.30 -0.18 0.68 0.52 0.00 0.00 175.17 176.05 1h3g s VAL 219 N 2.00 1.44 -0.13 1.11 -7.23 0.25 -4.32 120.40 113.51 1h3g s VAL 219 Ca 0.30 -1.00 -0.01 0.00 -1.81 0.00 0.00 61.98 59.46 1h3g s VAL 219 Cb -0.16 -1.25 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 1h3g s VAL 219 CO 0.10 0.22 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.32 1h3g s VAL 220 N -0.68 3.33 -0.07 1.32 1.01 -1.26 -1.60 120.40 122.45 1h3g s VAL 220 Ca 0.06 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1h3g s VAL 220 Cb -0.08 -2.42 -0.10 0.00 0.00 0.00 0.00 36.38 33.78 1h3g s VAL 220 CO 0.01 0.52 0.04 0.18 0.00 0.00 0.00 175.10 175.85 1h3g n LEU 221 N 3.46 0.00 0.12 3.92 4.77 -1.26 -4.74 117.00 123.27 1h3g n LEU 221 Ca -0.18 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1h3g n LEU 221 Cb 0.53 0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.84 1h3g n LEU 221 CO 0.31 0.18 0.41 -1.28 -1.33 0.00 0.00 177.39 175.68 1h3g h SER 222 N 0.00 0.00 -5.23 -1.43 0.87 -1.88 -3.45 113.55 102.43 1h3g h SER 222 Ca -0.20 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.29 1h3g h SER 222 Cb 1.41 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.27 1h3g h SER 222 CO 0.01 0.64 -0.17 -1.38 -0.53 0.00 0.00 176.83 175.39 1h3g s HIS 223 N -3.01 0.29 0.37 2.24 -3.43 -1.26 -0.53 115.29 109.96 1h3g s HIS 223 Ca 0.02 -0.65 0.03 0.00 -0.80 0.00 0.00 55.06 53.67 1h3g s HIS 223 Cb 0.09 0.12 -0.01 0.00 -1.43 0.00 0.00 32.58 31.35 1h3g s HIS 223 CO 0.76 -0.87 0.12 0.44 -2.00 0.00 0.00 174.74 173.20 1h3g n ILE 224 N -0.31 0.00 -3.28 -5.38 -5.35 -0.44 -4.65 119.36 99.95 1h3g n ILE 224 Ca -0.05 -2.11 -0.29 0.00 -0.27 0.00 0.00 62.75 60.02 1h3g n ILE 224 Cb 0.62 0.74 -0.03 0.00 -1.74 0.00 0.00 39.64 39.23 1h3g n ILE 224 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1h3g s GLY 225 N -3.24 1.89 0.62 3.28 0.00 0.80 -2.59 107.32 108.09 1h3g s GLY 225 Ca 0.17 -0.50 0.36 0.00 0.00 0.00 0.00 44.72 44.76 1h3g s GLY 225 CO 0.12 -0.38 2.30 0.07 0.00 0.00 0.00 173.10 175.22 1h3g h LYS 226 N 1.67 0.00 -0.64 2.90 2.10 -1.43 -1.52 116.57 119.65 1h3g h LYS 226 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1h3g h LYS 226 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1h3g h LYS 226 CO 0.66 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.83 1h3g n HIS 227 N -3.53 1.25 -1.96 0.07 8.25 -1.26 -4.90 115.22 113.14 1h3g n HIS 227 Ca -0.03 -0.47 -0.41 0.00 -0.26 0.00 0.00 57.72 56.55 1h3g n HIS 227 Cb 0.08 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 30.92 1h3g n HIS 227 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1h3g s HIS 228 N -1.94 2.84 0.64 4.41 2.46 -0.57 -4.85 115.29 118.28 1h3g s HIS 228 Ca 0.38 1.23 0.30 0.00 0.47 0.00 0.00 55.06 57.45 1h3g s HIS 228 Cb 0.26 -3.86 1.65 0.00 -0.13 0.00 0.00 32.58 30.50 1h3g s HIS 228 CO 0.16 -2.52 1.96 0.11 -2.47 0.00 0.00 174.74 171.98 1h3g h TRP 229 N 3.52 0.00 0.00 3.88 5.08 -1.91 -3.33 115.95 123.19 1h3g h TRP 229 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 1h3g h TRP 229 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1h3g h TRP 229 CO 0.55 0.00 0.00 0.91 -1.28 0.00 0.00 178.44 178.62 1h3g n TRP 230 N -3.17 0.00 0.00 0.12 8.01 -1.26 -3.96 117.44 117.18 1h3g n TRP 230 Ca 0.00 -0.20 0.00 0.00 -1.31 0.00 0.00 57.50 56.00 1h3g n TRP 230 Cb 0.42 -0.25 0.00 0.00 -2.01 0.00 0.00 31.31 29.47 1h3g n TRP 230 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1h3g n LYS 232 N 1.53 0.00 -2.72 -0.99 5.02 -1.25 -1.00 118.16 118.75 1h3g n LYS 232 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1h3g n LYS 232 Cb 0.12 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.18 1h3g n LYS 232 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1h3g n ASP 233 N 0.00 -2.41 -4.67 4.39 2.03 -1.25 -5.13 116.55 109.50 1h3g n ASP 233 Ca 0.00 -2.67 -0.47 0.00 0.52 0.00 0.00 54.79 52.17 1h3g n ASP 233 Cb 0.00 1.43 -0.04 0.00 -0.72 0.00 0.00 41.12 41.79 1h3g n ASP 233 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1h3g n LEU 234 N 1.81 3.15 -0.24 -2.67 4.77 -0.17 -4.88 117.00 118.77 1h3g n LEU 234 Ca 0.08 1.05 -0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1h3g n LEU 234 Cb 0.65 -1.40 0.11 0.00 -2.33 0.00 0.00 43.42 40.45 1h3g n LEU 234 CO -0.03 -0.24 1.08 -0.65 -1.33 0.00 0.00 177.39 176.22 1h3g h PRO 235 N 6.91 0.63 -4.00 3.23 0.11 -1.98 -3.45 132.00 133.46 1h3g h PRO 235 Ca -0.46 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1h3g h PRO 235 Cb 1.26 -0.14 -0.14 0.00 0.11 0.00 0.00 31.00 32.09 1h3g h PRO 235 CO 0.90 0.42 -0.44 0.95 -0.21 0.00 0.00 178.00 179.63 1h3g s THR 236 N -6.08 0.11 -1.25 -1.15 -4.23 -1.26 -4.27 115.64 97.51 1h3g s THR 236 Ca -0.13 -1.46 0.15 0.00 -1.18 0.00 0.00 61.69 59.08 1h3g s THR 236 Cb 0.17 -1.68 0.21 0.00 1.34 0.00 0.00 72.50 72.54 1h3g s THR 236 CO 0.76 -0.52 1.46 -2.65 -0.54 0.00 0.00 174.62 173.13 1h3g n PRO 237 N -0.11 0.13 -1.63 3.99 -0.02 -1.26 -2.49 135.00 133.62 1h3g n PRO 237 Ca -0.10 0.18 -0.06 0.00 -2.02 0.00 0.00 63.50 61.49 1h3g n PRO 237 Cb 0.63 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.69 1h3g n PRO 237 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1h3g n ASP 238 N -1.38 2.79 0.08 2.55 5.75 -1.26 -4.70 116.55 120.39 1h3g n ASP 238 Ca 0.06 -3.27 -0.20 0.00 -0.01 0.00 0.00 54.79 51.37 1h3g n ASP 238 Cb 0.15 -0.42 -0.11 0.00 -1.03 0.00 0.00 41.12 39.70 1h3g n ASP 238 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1h3g h TRP 239 N 1.71 0.92 -2.99 2.11 2.91 -1.84 -3.42 115.95 115.35 1h3g h TRP 239 Ca 0.08 -0.57 -0.63 0.00 1.13 0.00 0.00 58.89 58.91 1h3g h TRP 239 Cb 1.37 -0.08 -0.15 0.00 -0.51 0.00 0.00 29.16 29.79 1h3g h TRP 239 CO 0.67 1.41 -0.75 0.96 -1.03 0.00 0.00 178.44 179.70 1h3g s ILE 240 N -3.04 2.96 0.41 2.65 -4.36 -1.26 -0.90 121.20 117.66 1h3g s ILE 240 Ca -0.08 -1.79 -0.16 0.00 -0.26 0.00 0.00 60.65 58.36 1h3g s ILE 240 Cb 0.06 -2.46 -0.09 0.00 1.25 0.00 0.00 42.46 41.22 1h3g s ILE 240 CO 0.92 -0.13 0.84 0.20 0.24 0.00 0.00 174.94 177.01 1h3g s ASN 241 N -2.85 6.72 -1.39 4.36 0.01 0.17 -4.34 114.94 117.62 1h3g s ASN 241 Ca 0.24 1.40 -0.09 0.00 -0.71 0.00 0.00 52.86 53.70 1h3g s ASN 241 Cb -0.08 -2.43 0.01 0.00 0.41 0.00 0.00 41.25 39.16 1h3g s ASN 241 CO 0.14 -0.37 0.36 -1.22 -1.51 0.00 0.00 177.10 174.50 1h3g n TYR 242 N -0.90 -1.49 0.00 2.20 4.01 -1.26 -4.64 117.16 115.08 1h3g n TYR 242 Ca 0.05 0.54 0.00 0.00 -0.16 0.00 0.00 57.90 58.32 1h3g n TYR 242 Cb 0.54 -3.20 0.00 0.00 -0.31 0.00 0.00 39.34 36.37 1h3g n TYR 242 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h3g n GLY 243 N -2.19 -1.82 0.00 2.72 0.00 -1.26 -4.38 105.19 98.26 1h3g n GLY 243 Ca -0.26 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1h3g n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3g n GLY 244 N -0.66 1.21 3.60 -0.02 0.00 -1.26 -4.80 105.19 103.27 1h3g n GLY 244 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 1h3g n GLY 244 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h3g n LYS 245 N -0.48 1.13 -1.86 1.61 0.00 -1.26 -4.81 118.16 112.49 1h3g n LYS 245 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 58.31 58.27 1h3g n LYS 245 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 35.03 32.80 1h3g n LYS 245 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1h3g s PHE 246 N 4.82 2.38 -0.33 5.64 5.36 -1.26 -4.91 117.98 129.68 1h3g s PHE 246 Ca 1.03 0.23 0.02 0.00 -0.96 0.00 0.00 56.93 57.25 1h3g s PHE 246 Cb -1.02 -4.03 0.10 0.00 -0.34 0.00 0.00 43.02 37.73 1h3g s PHE 246 CO 0.60 -4.17 0.06 0.08 -1.46 0.00 0.00 175.22 170.34 1h3g s VAL 247 N 2.56 1.79 0.51 3.12 1.01 -1.26 -5.11 120.40 123.02 1h3g s VAL 247 Ca 0.76 -1.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.57 1h3g s VAL 247 Cb -0.42 -2.32 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 1h3g s VAL 247 CO 0.33 -0.60 1.01 -2.16 0.00 0.00 0.00 175.10 173.68 1h3g s PRO 248 N 1.16 3.81 0.25 2.72 0.04 -1.26 -1.16 135.00 140.55 1h3g s PRO 248 Ca 0.10 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 1h3g s PRO 248 Cb -0.18 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1h3g s PRO 248 CO -0.14 -0.40 0.93 -0.08 0.04 0.00 0.00 177.00 177.36 1h3g s THR 249 N -2.33 4.11 -0.24 1.26 -1.32 0.15 -4.51 115.64 112.75 1h3g s THR 249 Ca 0.63 2.03 0.14 0.00 -1.21 0.00 0.00 61.69 63.28 1h3g s THR 249 Cb -0.13 -4.27 0.83 0.00 -1.51 0.00 0.00 72.50 67.42 1h3g s THR 249 CO 0.26 0.44 1.76 0.00 -2.21 0.00 0.00 174.62 174.87 1h3g n GLN 250 N 1.34 4.93 -4.23 7.08 1.13 -1.26 -4.89 117.38 121.48 1h3g n GLN 250 Ca -0.02 -3.18 -0.35 0.00 -1.94 0.00 0.00 57.00 51.52 1h3g n GLN 250 Cb 0.48 -2.28 -0.04 0.00 0.11 0.00 0.00 30.24 28.51 1h3g n GLN 250 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1h3g n HIS 251 N 0.62 -1.59 -2.12 1.08 8.25 -1.26 -4.85 115.22 115.35 1h3g n HIS 251 Ca 0.28 0.75 -0.42 0.00 -0.26 0.00 0.00 57.72 58.07 1h3g n HIS 251 Cb 1.21 -2.92 0.00 0.00 1.12 0.00 0.00 29.99 29.40 1h3g n HIS 251 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1h3g n HIS 252 N -4.36 3.18 -0.32 4.41 8.25 -1.26 -4.77 115.22 120.35 1h3g n HIS 252 Ca -0.03 -2.86 0.12 0.00 -0.26 0.00 0.00 57.72 54.69 1h3g n HIS 252 Cb 0.54 -2.17 0.30 0.00 1.12 0.00 0.00 29.99 29.78 1h3g n HIS 252 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1h3g h ARG 253 N 5.86 0.54 0.00 -0.41 2.43 -1.92 -0.36 114.38 120.51 1h3g h ARG 253 Ca 0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1h3g h ARG 253 Cb 0.64 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1h3g h ARG 253 CO 1.72 0.36 0.00 1.33 -1.51 0.00 0.00 179.97 181.86 1h3g n VAL 254 N -4.92 0.58 0.28 0.20 0.24 -1.26 -3.33 118.33 110.11 1h3g n VAL 254 Ca 0.22 0.09 0.12 0.00 -2.04 0.00 0.00 64.34 62.73 1h3g n VAL 254 Cb 0.59 -0.80 0.78 0.00 -1.47 0.00 0.00 33.84 32.95 1h3g n VAL 254 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h3g h ALA 255 N 2.64 1.65 0.00 2.33 0.00 -1.39 -0.09 119.26 124.41 1h3g h ALA 255 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1h3g h ALA 255 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1h3g h ALA 255 CO 0.00 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.62 1h3g n VAL 256 N -4.07 0.03 -2.87 0.00 0.24 -1.21 -4.10 118.33 106.36 1h3g n VAL 256 Ca -0.03 0.01 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 1h3g n VAL 256 Cb 0.11 -0.52 0.04 0.00 -1.47 0.00 0.00 33.84 32.00 1h3g n VAL 256 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h3g n GLN 257 N -1.32 1.06 -3.74 7.34 10.64 -0.07 -5.08 117.38 126.21 1h3g n GLN 257 Ca 0.13 -2.72 -0.13 0.00 -1.83 0.00 0.00 57.00 52.45 1h3g n GLN 257 Cb 0.25 -1.14 -0.14 0.00 -0.86 0.00 0.00 30.24 28.35 1h3g n GLN 257 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1h3g s ASP 258 N -2.09 -0.18 0.48 2.61 3.68 -1.05 -4.97 116.67 115.15 1h3g s ASP 258 Ca 0.29 0.41 0.22 0.00 2.13 0.00 0.00 52.55 55.60 1h3g s ASP 258 Cb 0.37 0.29 1.21 0.00 -1.45 0.00 0.00 42.92 43.34 1h3g s ASP 258 CO -0.05 -0.16 2.00 -0.65 0.13 0.00 0.00 175.17 176.45 1h3g h PRO 259 N 7.21 0.00 -0.23 4.34 0.11 -1.94 -2.62 132.00 138.87 1h3g h PRO 259 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1h3g h PRO 259 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1h3g h PRO 259 CO 0.40 0.18 0.00 0.66 -0.21 0.00 0.00 178.00 179.03 1h3g n TYR 260 N -3.82 0.28 -1.62 0.65 4.01 -1.26 -5.01 117.16 110.39 1h3g n TYR 260 Ca -0.02 -0.14 -0.38 0.00 -0.16 0.00 0.00 57.90 57.20 1h3g n TYR 260 Cb 0.28 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.36 1h3g n TYR 260 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h3g n ALA 261 N 1.41 0.26 -2.75 -0.72 0.00 -0.99 -5.00 120.51 112.73 1h3g n ALA 261 Ca 0.17 0.04 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 1h3g n ALA 261 Cb 0.60 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 1h3g n ALA 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3g s ALA 262 N -1.47 3.71 0.51 0.00 0.00 -1.26 -4.96 121.76 118.28 1h3g s ALA 262 Ca 0.74 -0.56 0.24 0.00 0.00 0.00 0.00 51.96 52.38 1h3g s ALA 262 Cb -0.43 -2.20 1.33 0.00 0.00 0.00 0.00 23.12 21.81 1h3g s ALA 262 CO 0.49 0.30 1.96 0.37 0.00 0.00 0.00 175.76 178.88 1h3g h GLN 263 N 6.02 0.10 -0.69 0.00 5.75 -1.94 -0.07 115.11 124.27 1h3g h GLN 263 Ca -0.46 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.05 1h3g h GLN 263 Cb 1.18 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.68 1h3g h GLN 263 CO 0.70 0.06 0.45 0.00 -2.65 0.00 0.00 178.83 177.39 1h3g h ALA 264 N 1.69 1.55 0.05 3.38 0.00 -1.99 -0.23 119.26 123.70 1h3g h ALA 264 Ca 0.30 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.91 1h3g h ALA 264 Cb 1.07 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1h3g h ALA 264 CO -0.03 0.41 -1.08 -0.44 0.00 0.00 0.00 179.25 178.10 1h3g h ASP 265 N 0.89 0.69 -0.31 0.00 3.32 -1.41 -1.97 116.42 117.64 1h3g h ASP 265 Ca 0.26 -0.60 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 1h3g h ASP 265 Cb -0.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1h3g h ASP 265 CO -0.06 1.41 0.09 -1.28 -1.72 0.00 0.00 179.24 177.67 1h3g h SER 266 N 0.26 0.45 -0.63 6.45 0.87 -1.17 0.86 113.55 120.64 1h3g h SER 266 Ca -0.13 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1h3g h SER 266 Cb 1.74 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.55 1h3g h SER 266 CO 0.20 0.55 0.33 -0.33 -0.53 0.00 0.00 176.83 177.05 1h3g h GLU 267 N 0.33 0.88 -0.49 2.24 5.08 -1.11 -1.93 114.58 119.59 1h3g h GLU 267 Ca 0.10 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1h3g h GLU 267 Cb 0.26 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1h3g h GLU 267 CO -0.00 0.68 0.10 -0.97 -1.00 0.00 0.00 179.01 177.82 1h3g h ASN 268 N 0.86 0.69 -0.56 1.42 -0.73 -1.13 0.42 115.58 116.55 1h3g h ASN 268 Ca 0.22 -0.12 -0.08 0.00 1.87 0.00 0.00 56.30 58.19 1h3g h ASN 268 Cb 0.06 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 1h3g h ASN 268 CO -0.03 0.70 0.03 0.15 -0.37 0.00 0.00 177.43 177.91 1h3g h PHE 269 N 0.72 1.05 0.00 0.67 3.57 -0.25 -1.16 116.94 121.54 1h3g h PHE 269 Ca 0.16 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1h3g h PHE 269 Cb 0.29 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1h3g h PHE 269 CO 0.02 0.94 -1.05 0.25 -2.23 0.00 0.00 178.31 176.24 1h3g n THR 270 N -4.28 0.10 -0.02 4.41 -2.24 -0.78 -4.47 114.28 107.00 1h3g n THR 270 Ca 0.02 -0.19 -0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1h3g n THR 270 Cb 0.31 0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 1h3g n THR 270 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1h3g n LYS 271 N -1.84 1.76 -1.49 -0.78 5.02 0.14 -4.58 118.16 116.40 1h3g n LYS 271 Ca 0.02 -0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 1h3g n LYS 271 Cb 0.41 -1.18 0.09 0.00 -0.02 0.00 0.00 35.03 34.33 1h3g n LYS 271 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h3g s GLY 272 N -3.45 2.36 0.22 0.72 0.00 -0.44 -4.74 107.32 102.00 1h3g s GLY 272 Ca -0.03 0.87 -0.02 0.00 0.00 0.00 0.00 44.72 45.54 1h3g s GLY 272 CO 0.30 1.27 0.43 -0.98 0.00 0.00 0.00 173.10 174.12 1h3g s TRP 273 N -1.98 3.48 -0.04 1.90 0.52 -0.31 -4.34 118.94 118.16 1h3g s TRP 273 Ca 0.74 0.42 -0.23 0.00 0.02 0.00 0.00 56.10 57.05 1h3g s TRP 273 Cb -0.29 -1.91 -0.17 0.00 -1.15 0.00 0.00 33.47 29.95 1h3g s TRP 273 CO 0.44 0.33 0.98 0.74 0.02 0.00 0.00 176.95 179.46 1h3g h PHE 274 N 1.93 -0.17 -3.94 -1.98 0.04 -1.91 0.42 116.94 111.34 1h3g h PHE 274 Ca -0.48 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.16 1h3g h PHE 274 Cb 1.19 0.06 -0.17 0.00 2.20 0.00 0.00 35.95 39.22 1h3g h PHE 274 CO 0.56 0.30 -0.59 0.14 -0.60 0.00 0.00 178.31 178.12 1h3g s VAL 275 N -3.63 0.15 0.62 -0.55 -7.23 -1.26 -4.76 120.40 103.74 1h3g s VAL 275 Ca -0.14 -1.25 0.27 0.00 -1.81 0.00 0.00 61.98 59.06 1h3g s VAL 275 Cb 0.01 -0.96 0.33 0.00 0.56 0.00 0.00 36.38 36.32 1h3g s VAL 275 CO 0.53 -0.69 1.80 -0.33 -0.31 0.00 0.00 175.10 176.10 1h3g h GLU 276 N 3.66 0.00 -2.17 4.82 5.08 -1.98 -3.41 114.58 120.58 1h3g h GLU 276 Ca -0.33 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.70 1h3g h GLU 276 Cb 1.18 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 1h3g h GLU 276 CO 0.53 0.00 0.48 0.41 -1.00 0.00 0.00 179.01 179.43 1h3g n GLY 277 N -1.43 3.47 3.03 -3.84 0.00 -1.26 -4.83 105.19 100.33 1h3g n GLY 277 Ca 0.06 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1h3g n GLY 277 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1h3g s PRO 279 N 0.69 0.18 -0.13 1.61 0.02 -1.07 -1.12 135.00 135.19 1h3g s PRO 279 Ca 0.66 0.37 -0.24 0.00 0.02 0.00 0.00 61.00 61.81 1h3g s PRO 279 Cb 0.30 -0.03 -0.03 0.00 0.02 0.00 0.00 34.50 34.77 1h3g s PRO 279 CO -0.05 -0.10 0.74 0.34 -0.33 0.00 0.00 177.00 177.60 1h3g s ASP 280 N 0.71 6.93 0.28 2.53 -1.08 -1.26 -1.33 116.67 123.44 1h3g s ASP 280 Ca -0.05 1.13 -0.29 0.00 -0.52 0.00 0.00 52.55 52.81 1h3g s ASP 280 Cb -0.06 -2.42 -0.10 0.00 -1.46 0.00 0.00 42.92 38.88 1h3g s ASP 280 CO -0.04 -0.25 1.18 -0.76 0.52 0.00 0.00 175.17 175.82 1h3g s LEU 281 N 1.52 4.50 -0.94 -1.34 1.43 0.32 -0.66 118.68 123.50 1h3g s LEU 281 Ca 0.36 2.40 -0.20 0.00 -1.03 0.00 0.00 54.13 55.67 1h3g s LEU 281 Cb -0.17 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.53 1h3g s LEU 281 CO 0.15 -0.30 1.18 0.21 0.23 0.00 0.00 176.35 177.82 1h3g s ASN 282 N -0.59 6.59 0.30 2.29 2.47 -0.07 -4.67 114.94 121.26 1h3g s ASN 282 Ca 0.47 -1.90 0.26 0.00 0.42 0.00 0.00 52.86 52.11 1h3g s ASN 282 Cb -0.35 -2.43 0.99 0.00 -1.45 0.00 0.00 41.25 38.02 1h3g s ASN 282 CO 0.44 -1.16 1.76 1.56 -3.72 0.00 0.00 177.10 175.98 1h3g h GLN 283 N 9.04 0.00 0.00 0.43 4.20 -1.92 -1.29 115.11 125.56 1h3g h GLN 283 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1h3g h GLN 283 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1h3g h GLN 283 CO 1.17 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 179.58 1h3g n THR 284 N -2.41 0.32 -2.68 -0.54 -2.24 -1.26 -4.25 114.28 101.22 1h3g n THR 284 Ca 0.03 0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 1h3g n THR 284 Cb 0.29 -0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 67.82 1h3g n THR 284 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1h3g s ASN 285 N -2.85 6.84 0.53 3.42 3.84 -0.49 -4.93 114.94 121.29 1h3g s ASN 285 Ca 0.15 0.88 0.23 0.00 0.21 0.00 0.00 52.86 54.34 1h3g s ASN 285 Cb 0.16 -2.52 1.44 0.00 -0.55 0.00 0.00 41.25 39.77 1h3g s ASN 285 CO 0.41 -0.90 2.12 -0.65 -2.79 0.00 0.00 177.10 175.29 1h3g h PRO 286 N 8.28 0.00 -0.48 0.43 0.11 -1.86 0.30 132.00 138.79 1h3g h PRO 286 Ca -0.21 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.78 1h3g h PRO 286 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1h3g h PRO 286 CO 1.03 0.08 -0.15 -0.07 -0.21 0.00 0.00 178.00 178.68 1h3g h LEU 287 N 0.00 0.93 -0.11 2.35 3.38 -1.93 -0.77 115.31 119.16 1h3g h LEU 287 Ca -0.00 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1h3g h LEU 287 Cb 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1h3g h LEU 287 CO 0.01 1.07 -0.06 0.58 0.09 0.00 0.00 178.44 180.13 1h3g h VAL 288 N 0.82 1.32 -0.20 1.22 2.07 -1.26 -1.80 116.25 118.42 1h3g h VAL 288 Ca 0.12 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.61 1h3g h VAL 288 Cb 0.69 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1h3g h VAL 288 CO 0.05 0.31 -0.16 0.00 0.02 0.00 0.00 177.57 177.79 1h3g h ALA 289 N 0.64 -0.02 -0.80 1.67 0.00 -1.09 -1.17 119.26 118.50 1h3g h ALA 289 Ca 0.02 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1h3g h ALA 289 Cb 0.51 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1h3g h ALA 289 CO 0.02 -0.59 0.53 -0.91 0.00 0.00 0.00 179.25 178.30 1h3g h ASN 290 N -0.16 0.91 -0.04 0.00 2.35 -1.15 -1.92 115.58 115.57 1h3g h ASN 290 Ca 0.12 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1h3g h ASN 290 Cb 0.34 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1h3g h ASN 290 CO -0.29 0.66 -0.08 0.22 -1.65 0.00 0.00 177.43 176.29 1h3g h TYR 291 N 1.08 -0.19 -0.39 1.19 5.03 -0.68 -1.04 116.97 121.96 1h3g h TYR 291 Ca 0.30 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.59 1h3g h TYR 291 Cb -0.11 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 1h3g h TYR 291 CO -0.02 -0.12 0.14 -0.07 -1.32 0.00 0.00 178.16 176.77 1h3g h LEU 292 N -0.12 0.56 -0.05 2.82 3.38 -0.93 -1.29 115.31 119.68 1h3g h LEU 292 Ca 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1h3g h LEU 292 Cb 0.18 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1h3g h LEU 292 CO -0.11 0.60 0.03 0.40 0.09 0.00 0.00 178.44 179.45 1h3g h ILE 293 N 0.48 1.00 -0.45 1.22 2.04 -1.24 -1.45 117.51 119.11 1h3g h ILE 293 Ca 0.13 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 1h3g h ILE 293 Cb 0.23 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1h3g h ILE 293 CO -0.01 0.01 0.09 1.56 0.00 0.00 0.00 178.15 179.80 1h3g h GLN 294 N 0.06 0.68 -0.35 2.37 4.20 -1.11 -1.57 115.11 119.39 1h3g h GLN 294 Ca 0.02 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 1h3g h GLN 294 Cb 0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1h3g h GLN 294 CO -0.01 0.63 -0.05 -0.97 -0.67 0.00 0.00 178.83 177.76 1h3g h ASN 295 N 0.66 0.64 -0.50 1.46 -0.73 -0.83 0.44 115.58 116.72 1h3g h ASN 295 Ca 0.15 -0.34 -0.09 0.00 1.87 0.00 0.00 56.30 57.88 1h3g h ASN 295 Cb 0.28 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 1h3g h ASN 295 CO 0.00 0.84 -0.04 0.78 -0.37 0.00 0.00 177.43 178.64 1h3g h ASN 296 N 0.44 0.90 -0.99 1.15 4.21 -1.04 -1.72 115.58 118.53 1h3g h ASN 296 Ca 0.09 -0.33 0.01 0.00 1.21 0.00 0.00 56.30 57.28 1h3g h ASN 296 Cb 0.53 -0.24 -0.05 0.00 -1.12 0.00 0.00 38.32 37.44 1h3g h ASN 296 CO 0.03 1.01 0.64 0.40 -1.29 0.00 0.00 177.43 178.22 1h3g h ILE 297 N 0.77 1.26 -0.43 2.81 2.04 -1.21 -2.16 117.51 120.59 1h3g h ILE 297 Ca 0.14 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1h3g h ILE 297 Cb 0.57 -0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 1h3g h ILE 297 CO 0.03 0.26 0.18 -0.25 0.00 0.00 0.00 178.15 178.36 1h3g h TRP 298 N 1.35 0.32 -0.44 1.37 7.01 -0.18 -1.74 115.95 123.63 1h3g h TRP 298 Ca 0.36 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.36 1h3g h TRP 298 Cb -0.13 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 1h3g h TRP 298 CO 0.00 0.14 0.21 -1.49 -2.79 0.00 0.00 178.44 174.51 1h3g h TRP 299 N 0.36 0.64 -0.69 2.65 -0.00 -0.92 0.18 115.95 118.17 1h3g h TRP 299 Ca 0.19 -0.03 0.02 0.00 -0.00 0.00 0.00 58.89 59.07 1h3g h TRP 299 Cb 0.15 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 29.07 1h3g h TRP 299 CO -0.13 0.53 0.45 0.82 -0.00 0.00 0.00 178.44 180.10 1h3g h ILE 300 N 0.57 1.13 0.04 1.49 2.04 -1.07 0.35 117.51 122.07 1h3g h ILE 300 Ca 0.15 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 65.56 1h3g h ILE 300 Cb 0.13 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1h3g h ILE 300 CO -0.02 0.16 -0.58 -0.08 0.00 0.00 0.00 178.15 177.63 1h3g h GLU 301 N 0.89 0.33 -0.15 2.37 4.57 -1.10 -1.75 114.58 119.74 1h3g h GLU 301 Ca 0.27 -0.41 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1h3g h GLU 301 Cb -0.04 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1h3g h GLU 301 CO -0.09 1.11 0.06 -0.92 -1.18 0.00 0.00 179.01 177.99 1h3g h TYR 302 N -0.26 0.22 -0.20 0.92 3.20 -0.56 -3.26 116.97 117.03 1h3g h TYR 302 Ca -0.08 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1h3g h TYR 302 Cb 1.34 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1h3g h TYR 302 CO 0.17 0.30 0.00 0.00 -1.64 0.00 0.00 178.16 176.99 1h3g n ALA 303 N -2.22 2.50 -3.61 1.82 0.00 0.12 -4.91 120.51 114.21 1h3g n ALA 303 Ca -0.05 -0.64 -0.26 0.00 0.00 0.00 0.00 53.44 52.50 1h3g n ALA 303 Cb 0.12 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.60 1h3g n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3g n GLY 304 N 1.24 -0.53 3.76 0.00 0.00 -0.73 -4.68 105.19 104.25 1h3g n GLY 304 Ca 0.17 0.22 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 1h3g n GLY 304 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h3g s LEU 305 N -7.19 3.54 -0.02 0.99 1.43 -0.78 -4.74 118.68 111.90 1h3g s LEU 305 Ca 0.57 2.18 0.11 0.00 -1.03 0.00 0.00 54.13 55.96 1h3g s LEU 305 Cb -0.27 -4.57 0.31 0.00 0.03 0.00 0.00 46.19 41.69 1h3g s LEU 305 CO 0.70 -1.60 1.26 -1.54 0.23 0.00 0.00 176.35 175.40 1h3g n SER 306 N -1.98 2.98 0.00 2.29 3.41 -0.26 -4.94 113.62 115.12 1h3g n SER 306 Ca 0.12 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1h3g n SER 306 Cb 0.51 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1h3g n SER 306 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h3g n GLY 307 N 0.34 1.54 3.20 5.00 0.00 -1.23 -2.51 105.19 111.53 1h3g n GLY 307 Ca 0.12 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 1h3g n GLY 307 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h3g s LEU 308 N 0.00 2.29 -0.19 0.99 1.43 -1.09 -1.64 118.68 120.46 1h3g s LEU 308 Ca 0.00 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.45 1h3g s LEU 308 Cb 0.00 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.62 1h3g s LEU 308 CO 0.00 -0.05 -0.12 -0.60 0.23 0.00 0.00 176.35 175.81 1h3g s ARG 309 N -1.81 3.21 -0.36 1.70 3.00 -0.01 -0.87 118.95 123.81 1h3g s ARG 309 Ca 0.00 -0.72 -0.11 0.00 -1.00 0.00 0.00 55.73 53.90 1h3g s ARG 309 Cb -0.10 -2.78 0.02 0.00 0.00 0.00 0.00 34.95 32.09 1h3g s ARG 309 CO 0.03 -0.16 0.20 0.42 0.00 0.00 0.00 175.30 175.79 1h3g s ILE 310 N 1.28 4.63 0.64 4.11 1.01 0.16 -0.58 121.20 132.45 1h3g s ILE 310 Ca 0.03 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 1h3g s ILE 310 Cb -0.14 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1h3g s ILE 310 CO -0.06 -0.15 1.13 -0.62 0.00 0.00 0.00 174.94 175.24 1h3g s ASP 311 N 1.58 5.10 -0.88 3.58 -1.08 -0.63 -0.02 116.67 124.33 1h3g s ASP 311 Ca 0.03 2.10 -0.24 0.00 -0.52 0.00 0.00 52.55 53.92 1h3g s ASP 311 Cb -0.19 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 38.74 1h3g s ASP 311 CO 0.07 -1.64 0.45 0.35 0.52 0.00 0.00 175.17 174.92 1h3g n THR 312 N -2.21 -1.78 0.06 1.71 -2.24 -1.23 -4.65 114.28 103.94 1h3g n THR 312 Ca 0.11 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1h3g n THR 312 Cb 0.51 -1.52 -0.08 0.00 -2.10 0.00 0.00 70.33 67.15 1h3g n THR 312 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1h3g h TYR 313 N -0.99 -1.19 0.00 4.78 3.20 -1.06 -2.52 116.97 119.18 1h3g h TYR 313 Ca -0.51 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1h3g h TYR 313 Cb 1.00 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.78 1h3g h TYR 313 CO 0.27 -0.44 0.00 0.41 -1.64 0.00 0.00 178.16 176.75 1h3g n GLY 314 N -1.36 -0.74 0.00 1.82 0.00 -1.26 -2.49 105.19 101.16 1h3g n GLY 314 Ca -0.06 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1h3g n GLY 314 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h3g n TYR 315 N -1.29 0.00 -3.21 1.61 4.01 -0.95 -4.68 117.16 112.64 1h3g n TYR 315 Ca 0.06 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.50 1h3g n TYR 315 Cb 0.11 -0.39 -0.04 0.00 -0.31 0.00 0.00 39.34 38.71 1h3g n TYR 315 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1h3g s SER 316 N -2.79 6.52 0.24 7.72 0.01 -1.04 -4.37 113.70 119.99 1h3g s SER 316 Ca 0.19 0.91 -0.31 0.00 1.31 0.00 0.00 55.95 58.05 1h3g s SER 316 Cb 0.18 -2.22 -0.13 0.00 0.21 0.00 0.00 66.02 64.06 1h3g s SER 316 CO 0.45 -0.22 1.52 -0.67 0.41 0.00 0.00 173.24 174.73 1h3g n ASP 317 N -0.82 3.23 -0.10 2.44 -0.08 -1.26 -4.85 116.55 115.10 1h3g n ASP 317 Ca 0.00 1.12 -0.07 0.00 -1.51 0.00 0.00 54.79 54.34 1h3g n ASP 317 Cb 0.54 -1.48 0.01 0.00 2.34 0.00 0.00 41.12 42.52 1h3g n ASP 317 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1h3g h GLY 318 N 4.93 0.46 1.35 0.27 0.00 -1.95 -0.24 103.07 107.89 1h3g h GLY 318 Ca -0.45 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 1h3g h GLY 318 CO 0.81 0.07 0.05 0.00 0.00 0.00 0.00 176.54 177.47 1h3g h ALA 319 N 1.20 1.15 -0.57 3.60 0.00 -1.97 -1.57 119.26 121.10 1h3g h ALA 319 Ca 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1h3g h ALA 319 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1h3g h ALA 319 CO -0.13 0.56 0.24 0.35 0.00 0.00 0.00 179.25 180.27 1h3g h PHE 320 N 0.76 0.86 -0.47 0.00 3.57 -1.69 -2.09 116.94 117.88 1h3g h PHE 320 Ca 0.16 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1h3g h PHE 320 Cb 0.39 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1h3g h PHE 320 CO 0.02 0.69 0.06 -0.07 -2.23 0.00 0.00 178.31 176.78 1h3g h LEU 321 N 0.78 0.69 -0.06 0.59 3.38 -0.60 0.20 115.31 120.29 1h3g h LEU 321 Ca 0.19 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1h3g h LEU 321 Cb 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1h3g h LEU 321 CO -0.02 0.72 -0.01 0.74 0.09 0.00 0.00 178.44 179.97 1h3g h THR 322 N 0.71 0.95 -0.49 0.22 2.02 -1.02 -0.24 112.91 115.05 1h3g h THR 322 Ca 0.15 -0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.22 1h3g h THR 322 Cb 0.34 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1h3g h THR 322 CO 0.01 0.00 -0.11 -0.08 0.37 0.00 0.00 175.52 175.71 1h3g h GLU 323 N 0.01 0.94 0.10 6.66 4.57 -0.96 -1.28 114.58 124.61 1h3g h GLU 323 Ca 0.03 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1h3g h GLU 323 Cb 0.04 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1h3g h GLU 323 CO -0.06 1.01 -0.05 -0.92 -1.18 0.00 0.00 179.01 177.82 1h3g h TYR 324 N 0.79 -0.12 -0.74 0.92 5.03 -0.43 0.15 116.97 122.57 1h3g h TYR 324 Ca 0.13 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.40 1h3g h TYR 324 Cb 0.66 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.95 1h3g h TYR 324 CO 0.05 0.03 0.32 1.79 -1.32 0.00 0.00 178.16 179.03 1h3g h THR 325 N -0.24 1.25 -0.15 1.81 1.35 -1.02 0.17 112.91 116.06 1h3g h THR 325 Ca -0.01 -0.73 0.03 0.00 -0.55 0.00 0.00 66.41 65.14 1h3g h THR 325 Cb 0.20 0.36 -0.03 0.00 -1.73 0.00 0.00 68.15 66.95 1h3g h THR 325 CO 0.02 0.30 -0.05 -0.09 -0.25 0.00 0.00 175.52 175.46 1h3g h ARG 326 N 1.05 -0.01 -0.49 4.72 2.43 -0.89 -2.75 114.38 118.44 1h3g h ARG 326 Ca 0.25 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1h3g h ARG 326 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1h3g h ARG 326 CO -0.03 -0.01 0.28 0.00 -1.51 0.00 0.00 179.97 178.70 1h3g h ARG 327 N -0.01 0.67 -0.63 0.20 2.47 -0.14 0.81 114.38 117.75 1h3g h ARG 327 Ca 0.08 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1h3g h ARG 327 Cb 0.13 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1h3g h ARG 327 CO -0.17 0.51 0.00 1.28 0.56 0.00 0.00 179.97 182.16 1h3g n LEU 328 N -4.68 0.45 0.00 3.04 4.32 -0.01 -2.12 117.00 118.00 1h3g n LEU 328 Ca 0.02 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.79 1h3g n LEU 328 Cb 0.07 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1h3g n LEU 328 CO 0.36 0.09 0.00 0.00 -1.22 0.00 0.00 177.39 176.62 1h3g n ALA 330 N 0.46 0.00 -0.01 -1.18 0.00 0.28 -1.20 120.51 118.86 1h3g n ALA 330 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1h3g n ALA 330 Cb 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 1h3g n ALA 330 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1h3g h GLU 331 N 0.00 0.75 -2.68 0.00 4.39 -1.68 -3.40 114.58 111.95 1h3g h GLU 331 Ca 0.00 -0.64 -0.60 0.00 0.34 0.00 0.00 59.36 58.45 1h3g h GLU 331 Cb 0.00 0.14 -0.40 0.00 -0.10 0.00 0.00 28.75 28.40 1h3g h GLU 331 CO 0.00 1.25 -0.80 0.71 -1.16 0.00 0.00 179.01 179.01 1h3g s TYR 332 N -3.67 2.21 0.32 4.33 2.02 -0.34 -4.67 117.35 117.56 1h3g s TYR 332 Ca -0.11 -2.79 0.36 0.00 -0.37 0.00 0.00 57.07 54.17 1h3g s TYR 332 Cb 0.08 -1.72 1.92 0.00 -0.40 0.00 0.00 41.96 41.84 1h3g s TYR 332 CO 0.90 -0.70 2.11 -1.00 -1.57 0.00 0.00 175.55 175.29 1h3g h PRO 333 N 5.52 0.00 -0.35 -1.71 0.13 -1.78 -1.41 132.00 132.39 1h3g h PRO 333 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1h3g h PRO 333 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1h3g h PRO 333 CO 0.53 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.84 1h3g n ARG 334 N -2.82 2.42 -1.83 0.86 1.74 -1.26 -4.98 116.66 110.80 1h3g n ARG 334 Ca -0.02 -2.01 -0.34 0.00 -0.77 0.00 0.00 57.85 54.71 1h3g n ARG 334 Cb 0.09 -1.33 0.04 0.00 -1.02 0.00 0.00 32.46 30.25 1h3g n ARG 334 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1h3g s LEU 335 N -1.04 3.46 0.00 0.55 2.96 -0.53 -0.25 118.68 123.82 1h3g s LEU 335 Ca 0.27 2.07 0.01 0.00 -0.22 0.00 0.00 54.13 56.26 1h3g s LEU 335 Cb 0.15 -4.56 0.01 0.00 0.50 0.00 0.00 46.19 42.29 1h3g s LEU 335 CO 0.20 -1.61 0.11 -3.20 -1.32 0.00 0.00 176.35 170.53 1h3g n ASN 336 N -2.21 2.71 -3.62 3.68 2.85 -1.26 -4.75 115.26 112.65 1h3g n ASN 336 Ca 0.11 -2.48 -0.04 0.00 -0.11 0.00 0.00 54.58 52.06 1h3g n ASN 336 Cb 0.52 0.14 -0.06 0.00 1.24 0.00 0.00 39.78 41.62 1h3g n ASN 336 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1h3g s VAL 338 N -2.15 -0.25 -0.05 3.44 0.11 -0.05 -2.67 120.40 118.77 1h3g s VAL 338 Ca 0.08 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 1h3g s VAL 338 Cb -0.01 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 1h3g s VAL 338 CO 0.05 0.00 0.29 -0.83 -3.33 0.00 0.00 175.10 171.29 1h3g s GLY 339 N 1.90 2.34 -0.66 6.54 0.00 0.11 0.36 107.32 117.91 1h3g s GLY 339 Ca -0.08 -0.40 -0.18 0.00 0.00 0.00 0.00 44.72 44.05 1h3g s GLY 339 CO -0.18 -0.09 0.74 1.85 0.00 0.00 0.00 173.10 175.42 1h3g s GLU 340 N -1.08 3.18 -0.39 2.90 2.12 0.97 -4.33 118.70 122.07 1h3g s GLU 340 Ca 0.20 -1.57 -0.07 0.00 0.36 0.00 0.00 54.97 53.89 1h3g s GLU 340 Cb -0.15 -4.37 0.07 0.00 0.26 0.00 0.00 34.13 29.95 1h3g s GLU 340 CO 0.10 -1.51 0.19 -2.00 -0.54 0.00 0.00 175.26 171.49 1h3g s GLU 341 N 2.22 2.47 -1.06 4.30 2.56 -1.26 -0.73 118.70 127.20 1h3g s GLU 341 Ca 0.14 -1.46 -0.22 0.00 0.00 0.00 0.00 54.97 53.43 1h3g s GLU 341 Cb -0.20 -3.62 0.02 0.00 2.00 0.00 0.00 34.13 32.32 1h3g s GLU 341 CO 0.02 -0.89 1.67 -0.46 -0.56 0.00 0.00 175.26 175.04 1h3g s TRP 342 N 1.35 2.35 -0.08 5.30 -0.11 -1.26 -4.81 118.94 121.68 1h3g s TRP 342 Ca 0.02 -0.52 -0.12 0.00 1.22 0.00 0.00 56.10 56.70 1h3g s TRP 342 Cb -0.22 -4.49 0.03 0.00 -1.50 0.00 0.00 33.47 27.29 1h3g s TRP 342 CO 0.01 -1.80 0.31 0.45 -4.62 0.00 0.00 176.95 171.30 1h3g s SER 343 N 5.70 -0.27 -0.02 5.86 0.15 -1.26 -5.01 113.70 118.85 1h3g s SER 343 Ca 0.55 0.42 0.19 0.00 0.70 0.00 0.00 55.95 57.81 1h3g s SER 343 Cb -0.01 0.52 0.58 0.00 -1.71 0.00 0.00 66.02 65.40 1h3g s SER 343 CO -0.02 -0.24 1.48 0.35 1.20 0.00 0.00 173.24 176.01 1h3g n THR 344 N 2.28 0.99 -3.66 6.45 -2.24 -1.26 -3.67 114.28 113.16 1h3g n THR 344 Ca -0.16 -0.88 -0.37 0.00 -2.27 0.00 0.00 64.05 60.36 1h3g n THR 344 Cb 0.57 0.36 -0.11 0.00 -2.10 0.00 0.00 70.33 69.05 1h3g n THR 344 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1h3g s ARG 345 N -1.27 3.89 0.15 -0.78 0.52 -1.26 -4.32 118.95 115.89 1h3g s ARG 345 Ca 0.43 -0.35 -0.16 0.00 -0.52 0.00 0.00 55.73 55.12 1h3g s ARG 345 Cb 0.23 -3.54 0.05 0.00 0.52 0.00 0.00 34.95 32.22 1h3g s ARG 345 CO 0.28 -0.13 1.75 0.28 0.02 0.00 0.00 175.30 177.49 1h3g h VAL 346 N 5.35 0.90 -0.69 3.52 2.07 -1.97 -2.12 116.25 123.30 1h3g h VAL 346 Ca -0.36 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1h3g h VAL 346 Cb 1.18 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1h3g h VAL 346 CO 0.58 0.05 0.46 -0.65 0.02 0.00 0.00 177.57 178.02 1h3g h PRO 347 N 0.26 0.90 -0.40 1.57 0.11 -1.95 0.24 132.00 132.73 1h3g h PRO 347 Ca 0.16 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.12 1h3g h PRO 347 Cb 0.13 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1h3g h PRO 347 CO -0.16 0.59 -0.09 0.28 -0.21 0.00 0.00 178.00 178.41 1h3g h VAL 348 N 0.92 1.28 -0.22 3.15 2.07 -1.82 -2.85 116.25 118.77 1h3g h VAL 348 Ca 0.26 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 1h3g h VAL 348 Cb -0.09 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1h3g h VAL 348 CO -0.06 0.40 -0.34 0.58 0.02 0.00 0.00 177.57 178.16 1h3g h VAL 349 N 0.57 1.32 0.00 2.57 2.07 -0.85 -3.27 116.25 118.66 1h3g h VAL 349 Ca 0.10 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1h3g h VAL 349 Cb 0.62 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1h3g h VAL 349 CO 0.04 0.48 -0.07 0.00 0.02 0.00 0.00 177.57 178.05 1h3g h ALA 350 N 0.63 1.77 -0.80 1.67 0.00 -0.53 -2.86 119.26 119.13 1h3g h ALA 350 Ca 0.02 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1h3g h ALA 350 Cb 0.93 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1h3g h ALA 350 CO 0.08 0.08 0.57 -0.09 0.00 0.00 0.00 179.25 179.89 1h3g h ARG 351 N 0.00 0.06 0.00 0.00 1.12 -1.56 -2.01 114.38 112.00 1h3g h ARG 351 Ca -0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1h3g h ARG 351 Cb 0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 1h3g h ARG 351 CO 0.01 0.04 -0.71 0.91 -3.11 0.00 0.00 179.97 177.11 1h3g n TRP 352 N -4.33 0.40 -2.52 2.20 7.02 -1.08 -4.88 117.44 114.25 1h3g n TRP 352 Ca 0.16 0.12 -0.39 0.00 -1.02 0.00 0.00 57.50 56.37 1h3g n TRP 352 Cb 0.83 -0.55 -0.04 0.00 -2.42 0.00 0.00 31.31 29.13 1h3g n TRP 352 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 1h3g s GLN 353 N -3.15 4.55 0.40 -0.99 0.74 -0.76 -4.33 119.66 116.12 1h3g s GLN 353 Ca 0.06 1.70 -0.27 0.00 0.05 0.00 0.00 55.36 56.90 1h3g s GLN 353 Cb 0.14 -3.05 -0.10 0.00 1.10 0.00 0.00 33.01 31.10 1h3g s GLN 353 CO 0.74 0.17 1.48 2.89 -0.55 0.00 0.00 175.29 180.02 1h3g n ARG 354 N 0.93 2.60 -0.23 1.67 1.85 0.79 -1.79 116.66 122.47 1h3g n ARG 354 Ca 0.00 0.91 0.00 0.00 -1.00 0.00 0.00 57.85 57.77 1h3g n ARG 354 Cb 0.46 -2.68 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 1h3g n ARG 354 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1h3g n GLY 355 N 0.47 1.14 3.73 2.89 0.00 -1.25 -4.70 105.19 107.46 1h3g n GLY 355 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1h3g n GLY 355 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h3g s LYS 356 N -0.50 4.42 -0.53 1.61 2.47 -0.74 -4.84 119.74 121.62 1h3g s LYS 356 Ca 0.00 1.96 -0.20 0.00 -1.56 0.00 0.00 55.97 56.17 1h3g s LYS 356 Cb 0.00 -3.23 0.06 0.00 -1.46 0.00 0.00 37.83 33.20 1h3g s LYS 356 CO 0.00 -0.22 0.71 0.00 0.16 0.00 0.00 175.35 176.00 1h3g s ALA 357 N 0.30 3.33 0.10 3.13 0.00 -1.26 -4.85 121.76 122.51 1h3g s ALA 357 Ca 0.57 -1.69 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 1h3g s ALA 357 Cb -0.34 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 1h3g s ALA 357 CO 0.36 -2.15 0.35 -0.80 0.00 0.00 0.00 175.76 173.52 1h3g s ASN 358 N 2.86 6.51 0.63 0.00 0.02 -1.26 -4.99 114.94 118.71 1h3g s ASN 358 Ca 0.18 0.61 0.40 0.00 -1.02 0.00 0.00 52.86 53.03 1h3g s ASN 358 Cb -0.18 -2.10 2.05 0.00 0.02 0.00 0.00 41.25 41.04 1h3g s ASN 358 CO 0.13 0.11 2.24 2.19 0.02 0.00 0.00 177.10 181.79 1h3g h PHE 359 N 3.19 0.00 -0.43 2.20 -0.00 -1.96 -1.58 116.94 118.36 1h3g h PHE 359 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.50 1h3g h PHE 359 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.12 1h3g h PHE 359 CO 0.63 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 178.55 1h3g n ASP 360 N -3.12 3.23 0.00 -0.68 5.75 -1.26 -4.97 116.55 115.51 1h3g n ASP 360 Ca -0.02 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1h3g n ASP 360 Cb 0.15 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1h3g n ASP 360 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h3g n GLY 361 N 0.70 0.89 3.73 6.12 0.00 -0.59 -4.99 105.19 111.03 1h3g n GLY 361 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1h3g n GLY 361 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1h3g n TYR 362 N -2.18 2.78 -4.36 1.61 9.36 -1.26 -4.91 117.16 118.21 1h3g n TYR 362 Ca 0.00 0.08 -0.22 0.00 3.32 0.00 0.00 57.90 61.09 1h3g n TYR 362 Cb 0.00 -2.66 -0.11 0.00 -0.63 0.00 0.00 39.34 35.94 1h3g n TYR 362 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1h3g s THR 363 N 0.91 1.90 -0.00 2.97 -4.23 -1.26 -4.30 115.64 111.63 1h3g s THR 363 Ca 0.73 -2.04 -0.24 0.00 -1.18 0.00 0.00 61.69 58.95 1h3g s THR 363 Cb -0.50 -1.95 0.05 0.00 1.34 0.00 0.00 72.50 71.44 1h3g s THR 363 CO 0.36 -0.37 0.54 -0.55 -0.54 0.00 0.00 174.62 174.06 1h3g s SER 364 N -2.89 -0.48 -0.04 3.99 0.15 -1.26 -4.59 113.70 108.58 1h3g s SER 364 Ca 0.19 0.37 0.13 0.00 0.70 0.00 0.00 55.95 57.34 1h3g s SER 364 Cb -0.05 0.48 0.40 0.00 -1.71 0.00 0.00 66.02 65.13 1h3g s SER 364 CO 0.08 -0.63 1.33 1.41 1.20 0.00 0.00 173.24 176.63 1h3g n HIS 365 N 0.77 0.65 -2.06 3.44 8.25 -1.26 -3.88 115.22 121.12 1h3g n HIS 365 Ca -0.19 -0.57 -0.43 0.00 -0.26 0.00 0.00 57.72 56.26 1h3g n HIS 365 Cb 0.58 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 1h3g n HIS 365 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1h3g s LEU 366 N -1.38 3.71 0.43 2.41 2.96 -1.26 -4.72 118.68 120.83 1h3g s LEU 366 Ca 0.30 1.46 0.23 0.00 -0.22 0.00 0.00 54.13 55.91 1h3g s LEU 366 Cb 0.18 -3.53 0.81 0.00 0.50 0.00 0.00 46.19 44.15 1h3g s LEU 366 CO 0.16 -1.46 1.78 1.55 -1.32 0.00 0.00 176.35 177.06 1h3g h PRO 367 N 11.69 0.00 -3.29 0.98 0.14 -1.93 0.22 132.00 139.81 1h3g h PRO 367 Ca -0.34 0.00 -0.08 0.00 0.14 0.00 0.00 66.00 65.72 1h3g h PRO 367 Cb 1.16 0.00 -0.16 0.00 0.14 0.00 0.00 31.00 32.14 1h3g h PRO 367 CO 1.02 0.23 -0.20 0.45 0.14 0.00 0.00 178.00 179.64 1h3g s SER 368 N -6.20 -0.16 0.00 1.44 0.15 -1.26 -4.76 113.70 102.91 1h3g s SER 368 Ca 0.01 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1h3g s SER 368 Cb 0.10 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1h3g s SER 368 CO 0.65 -0.67 0.00 0.18 1.20 0.00 0.00 173.24 174.60 1h3g n LEU 369 N 0.39 0.00 -3.17 3.45 4.77 -1.26 0.05 117.00 121.23 1h3g n LEU 369 Ca -0.18 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.58 1h3g n LEU 369 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1h3g n LEU 369 CO 0.20 0.00 -0.27 -0.67 -1.33 0.00 0.00 177.39 175.33 1h3g n ASP 371 N 0.00 0.18 -0.27 -1.43 -0.08 0.39 -1.31 116.55 114.03 1h3g n ASP 371 Ca 0.00 -2.78 -0.05 0.00 -1.51 0.00 0.00 54.79 50.45 1h3g n ASP 371 Cb 0.00 -0.54 0.06 0.00 2.34 0.00 0.00 41.12 42.98 1h3g n ASP 371 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1h3g h PHE 372 N 3.80 1.02 -0.75 -0.67 0.04 -1.86 -2.30 116.94 116.21 1h3g h PHE 372 Ca 0.07 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.89 1h3g h PHE 372 Cb 0.90 -0.33 -0.06 0.00 2.20 0.00 0.00 35.95 38.66 1h3g h PHE 372 CO 0.38 0.71 0.43 -1.35 -0.60 0.00 0.00 178.31 177.88 1h3g h PRO 373 N 1.04 0.75 -0.15 1.51 0.11 -1.75 0.27 132.00 133.78 1h3g h PRO 373 Ca 0.27 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 66.11 1h3g h PRO 373 Cb 0.02 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 30.97 1h3g h PRO 373 CO -0.04 0.50 -0.77 1.25 -0.21 0.00 0.00 178.00 178.72 1h3g h LEU 374 N 0.77 0.90 0.01 2.35 5.85 -1.85 -0.35 115.31 123.00 1h3g h LEU 374 Ca 0.34 -0.59 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1h3g h LEU 374 Cb 0.23 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1h3g h LEU 374 CO -0.20 1.38 -0.01 0.58 -0.34 0.00 0.00 178.44 179.86 1h3g h VAL 375 N 0.52 1.16 -0.61 1.05 2.07 -1.13 -2.67 116.25 116.64 1h3g h VAL 375 Ca -0.05 -0.52 0.11 0.00 0.82 0.00 0.00 66.70 67.07 1h3g h VAL 375 Cb 1.39 1.51 -0.09 0.00 -1.52 0.00 0.00 31.29 32.59 1h3g h VAL 375 CO 0.16 0.13 0.14 -0.78 0.02 0.00 0.00 177.57 177.24 1h3g h ASP 376 N -0.24 0.02 0.00 0.57 1.82 -0.45 0.34 116.42 118.47 1h3g h ASP 376 Ca -0.00 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1h3g h ASP 376 Cb 0.23 0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1h3g h ASP 376 CO 0.00 0.01 0.00 0.00 -1.61 0.00 0.00 179.24 177.65 1h3g n ALA 377 N -2.59 1.01 0.00 -0.78 0.00 -0.14 -0.74 120.51 117.27 1h3g n ALA 377 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1h3g n ALA 377 Cb 0.32 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1h3g n ALA 377 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h3g n ARG 379 N 0.17 0.00 0.09 0.00 1.74 0.11 -0.89 116.66 117.87 1h3g n ARG 379 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1h3g n ARG 379 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1h3g n ARG 379 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1h3g h ASN 380 N 0.00 -0.34 -0.25 0.55 2.35 -1.17 0.10 115.58 116.83 1h3g h ASN 380 Ca 0.00 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1h3g h ASN 380 Cb 0.00 0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 1h3g h ASN 380 CO 0.00 -0.18 -0.18 0.00 -1.65 0.00 0.00 177.43 175.42 1h3g h ALA 381 N 0.65 -0.01 -0.54 -0.83 0.00 -1.22 0.74 119.26 118.05 1h3g h ALA 381 Ca 0.02 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1h3g h ALA 381 Cb 0.26 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1h3g h ALA 381 CO -0.07 -0.59 0.02 -0.07 0.00 0.00 0.00 179.25 178.54 1h3g h LEU 382 N -0.17 0.91 0.05 0.00 3.38 -1.79 -3.32 115.31 114.36 1h3g h LEU 382 Ca 0.14 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1h3g h LEU 382 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1h3g h LEU 382 CO -0.35 0.98 -0.02 0.77 0.09 0.00 0.00 178.44 179.91 1h3g h SER 383 N 0.81 -0.05 0.00 -0.43 4.64 -0.31 -3.40 113.55 114.81 1h3g h SER 383 Ca 0.15 -0.60 -0.28 0.00 -0.47 0.00 0.00 61.79 60.60 1h3g h SER 383 Cb 0.50 0.01 0.07 0.00 -0.31 0.00 0.00 62.40 62.68 1h3g h SER 383 CO 0.02 0.68 1.03 0.29 -0.87 0.00 0.00 176.83 177.98 1h3g n LYS 384 N -4.76 0.00 -0.10 4.77 5.02 0.25 -4.62 118.16 118.72 1h3g n LYS 384 Ca -0.08 -0.63 0.21 0.00 -2.02 0.00 0.00 58.31 55.80 1h3g n LYS 384 Cb 0.32 -2.03 0.65 0.00 -0.02 0.00 0.00 35.03 33.95 1h3g n LYS 384 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1h3g h THR 385 N 4.51 0.69 -0.75 -0.18 2.02 -1.82 -1.98 112.91 115.40 1h3g h THR 385 Ca 0.12 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 1h3g h THR 385 Cb 0.39 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1h3g h THR 385 CO 1.35 0.02 0.24 1.23 0.37 0.00 0.00 175.52 178.73 1h3g h GLY 386 N 0.12 1.23 -2.75 2.16 0.00 -1.97 -3.44 103.07 98.42 1h3g h GLY 386 Ca 0.34 -0.72 -0.53 0.00 0.00 0.00 0.00 47.33 46.42 1h3g h GLY 386 CO -0.04 0.67 0.56 -0.54 0.00 0.00 0.00 176.54 177.19 1h3g s GLU 387 N -5.42 3.35 0.13 4.80 0.41 -0.75 -4.95 118.70 116.27 1h3g s GLU 387 Ca -0.12 2.07 0.23 0.00 -0.41 0.00 0.00 54.97 56.74 1h3g s GLU 387 Cb 0.15 -2.31 -0.01 0.00 -1.78 0.00 0.00 34.13 30.18 1h3g s GLU 387 CO 0.84 -0.97 0.98 -1.91 -0.49 0.00 0.00 175.26 173.71 1h3g n GLU 388 N -0.84 0.52 -2.71 1.61 2.13 -1.26 -4.43 120.64 115.65 1h3g n GLU 388 Ca 0.09 0.04 -0.06 0.00 0.66 0.00 0.00 57.16 57.89 1h3g n GLU 388 Cb 0.46 -1.72 0.05 0.00 0.27 0.00 0.00 31.44 30.50 1h3g n GLU 388 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1h3g n ASN 389 N -2.41 1.03 -0.12 4.31 5.15 -1.26 -1.72 115.26 120.25 1h3g n ASN 389 Ca 0.00 -2.50 0.14 0.00 -0.60 0.00 0.00 54.58 51.62 1h3g n ASN 389 Cb 0.52 -0.32 0.51 0.00 -0.53 0.00 0.00 39.78 39.96 1h3g n ASN 389 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1h3g h GLY 390 N 2.73 0.60 2.00 8.20 0.00 -1.86 -0.51 103.07 114.23 1h3g h GLY 390 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1h3g h GLY 390 CO 0.34 0.07 0.00 1.04 0.00 0.00 0.00 176.54 178.00 1h3g n LEU 391 N -4.47 0.32 -0.07 3.11 4.77 -1.26 -1.66 117.00 117.74 1h3g n LEU 391 Ca 0.12 0.65 0.01 0.00 -0.03 0.00 0.00 56.01 56.76 1h3g n LEU 391 Cb 0.47 -0.69 0.31 0.00 -2.33 0.00 0.00 43.42 41.18 1h3g n LEU 391 CO 0.34 -0.75 1.10 -1.13 -1.33 0.00 0.00 177.39 175.61 1h3g h ASN 392 N 0.00 0.62 -0.91 -1.43 -1.24 -1.42 -1.59 115.58 109.61 1h3g h ASN 392 Ca 0.00 -0.05 0.06 0.00 0.71 0.00 0.00 56.30 57.02 1h3g h ASN 392 Cb 0.00 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 38.84 1h3g h ASN 392 CO 0.00 0.53 0.59 -0.33 -1.29 0.00 0.00 177.43 176.93 1h3g h GLU 393 N 0.70 1.00 -0.24 6.67 5.08 -1.53 0.22 114.58 126.48 1h3g h GLU 393 Ca 0.17 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 1h3g h GLU 393 Cb 0.07 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1h3g h GLU 393 CO -0.02 0.66 -0.33 0.28 -1.00 0.00 0.00 179.01 178.60 1h3g h VAL 394 N 1.03 1.31 0.19 3.13 2.07 -1.48 -1.70 116.25 120.80 1h3g h VAL 394 Ca 0.39 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1h3g h VAL 394 Cb 0.19 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1h3g h VAL 394 CO -0.14 0.48 -0.09 0.22 0.02 0.00 0.00 177.57 178.06 1h3g h TYR 395 N 0.37 -0.23 -0.67 1.57 3.20 -0.80 -0.28 116.97 120.12 1h3g h TYR 395 Ca 0.03 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1h3g h TYR 395 Cb 0.91 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1h3g h TYR 395 CO 0.08 -0.12 0.21 0.93 -1.64 0.00 0.00 178.16 177.61 1h3g h GLU 396 N -0.28 1.05 -0.45 1.82 5.08 -0.61 -1.01 114.58 120.18 1h3g h GLU 396 Ca -0.03 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1h3g h GLU 396 Cb 0.21 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1h3g h GLU 396 CO 0.04 0.91 0.18 1.15 -1.00 0.00 0.00 179.01 180.29 1h3g h THR 397 N 0.98 1.20 -0.68 1.13 2.02 -1.21 -2.07 112.91 114.28 1h3g h THR 397 Ca 0.22 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.81 1h3g h THR 397 Cb 0.30 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1h3g h THR 397 CO -0.01 0.23 0.45 -0.07 0.37 0.00 0.00 175.52 176.49 1h3g h LEU 398 N 0.58 0.70 -0.60 2.58 3.38 -0.65 -1.05 115.31 120.25 1h3g h LEU 398 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1h3g h LEU 398 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1h3g h LEU 398 CO -0.01 0.48 0.00 -1.54 0.09 0.00 0.00 178.44 177.46 1h3g n SER 399 N -4.46 0.43 -0.55 -0.43 3.41 -0.42 -1.45 113.62 110.15 1h3g n SER 399 Ca 0.08 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.40 1h3g n SER 399 Cb 0.13 -0.71 0.28 0.00 -0.26 0.00 0.00 64.21 63.64 1h3g n SER 399 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1h3g n LEU 400 N -2.00 1.64 0.07 1.04 4.77 -0.40 -4.27 117.00 117.85 1h3g n LEU 400 Ca 0.02 -0.75 0.20 0.00 -0.03 0.00 0.00 56.01 55.44 1h3g n LEU 400 Cb 0.16 -0.15 0.74 0.00 -2.33 0.00 0.00 43.42 41.83 1h3g n LEU 400 CO 0.15 0.38 1.18 0.44 -1.33 0.00 0.00 177.39 178.20 1h3g h ASP 401 N 1.98 0.00 0.36 -1.43 5.19 -1.37 0.14 116.42 121.28 1h3g h ASP 401 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1h3g h ASP 401 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1h3g h ASP 401 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1h3g n TYR 402 N -4.05 0.72 0.20 4.55 4.11 -1.26 -1.15 117.16 120.29 1h3g n TYR 402 Ca 0.07 0.33 0.08 0.00 -0.00 0.00 0.00 57.90 58.38 1h3g n TYR 402 Cb 0.55 -1.03 0.36 0.00 -0.00 0.00 0.00 39.34 39.23 1h3g n TYR 402 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 1h3g h LEU 403 N 0.00 0.00 -9.72 -3.48 3.38 -1.30 -3.43 115.31 100.76 1h3g h LEU 403 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1h3g h LEU 403 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1h3g h LEU 403 CO 0.00 0.29 -0.17 -0.31 0.09 0.00 0.00 178.44 178.34 1h3g s TYR 404 N -3.53 3.71 0.27 1.13 2.02 -0.30 -4.88 117.35 115.77 1h3g s TYR 404 Ca 0.01 1.02 0.03 0.00 -0.37 0.00 0.00 57.07 57.77 1h3g s TYR 404 Cb 0.10 -2.31 0.36 0.00 -0.40 0.00 0.00 41.96 39.70 1h3g s TYR 404 CO 0.66 0.59 1.66 -1.00 -1.57 0.00 0.00 175.55 175.90 1h3g h PRO 405 N 4.41 0.38 -2.02 -1.71 0.13 -1.83 -3.36 132.00 127.99 1h3g h PRO 405 Ca -0.51 -0.18 -0.56 0.00 -0.87 0.00 0.00 66.00 63.88 1h3g h PRO 405 Cb 1.21 -0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 1h3g h PRO 405 CO 0.63 0.72 -1.05 0.39 -0.23 0.00 0.00 178.00 178.46 1h3g n GLU 406 N -4.03 0.95 0.25 0.86 1.02 -1.26 -4.98 120.64 113.45 1h3g n GLU 406 Ca -0.01 -3.41 0.11 0.00 -0.02 0.00 0.00 57.16 53.83 1h3g n GLU 406 Cb 0.49 -1.35 0.68 0.00 -0.02 0.00 0.00 31.44 31.23 1h3g n GLU 406 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1h3g h PRO 407 N 3.99 0.00 -0.00 3.49 0.13 -1.80 -1.27 132.00 136.53 1h3g h PRO 407 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1h3g h PRO 407 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1h3g h PRO 407 CO 0.51 0.13 0.00 1.04 -0.23 0.00 0.00 178.00 179.45 1h3g n GLN 408 N -3.82 1.03 -0.07 0.86 6.02 -1.26 -1.69 117.38 118.46 1h3g n GLN 408 Ca -0.02 -0.05 0.11 0.00 -0.01 0.00 0.00 57.00 57.03 1h3g n GLN 408 Cb 0.23 -1.48 0.13 0.00 1.02 0.00 0.00 30.24 30.15 1h3g n GLN 408 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1h3g n ASN 409 N -0.92 3.02 -4.79 1.08 5.15 -0.48 -4.11 115.26 114.20 1h3g n ASN 409 Ca 0.23 -1.93 -0.33 0.00 -0.60 0.00 0.00 54.58 51.94 1h3g n ASN 409 Cb 0.12 -0.09 0.01 0.00 -0.53 0.00 0.00 39.78 39.29 1h3g n ASN 409 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1h3g s LEU 410 N -1.67 3.55 -0.32 1.20 1.43 -0.68 -4.63 118.68 117.56 1h3g s LEU 410 Ca 0.29 1.89 -0.15 0.00 -1.03 0.00 0.00 54.13 55.13 1h3g s LEU 410 Cb 0.19 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 1h3g s LEU 410 CO 0.28 -1.19 0.38 -0.69 0.23 0.00 0.00 176.35 175.36 1h3g s VAL 411 N -2.32 5.16 -0.09 -1.59 1.01 -0.43 -1.04 120.40 121.10 1h3g s VAL 411 Ca 0.65 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.74 1h3g s VAL 411 Cb -0.17 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1h3g s VAL 411 CO 0.35 -0.02 0.33 -0.22 0.00 0.00 0.00 175.10 175.54 1h3g s LEU 412 N 2.07 4.36 0.07 3.92 2.96 0.75 -0.46 118.68 132.35 1h3g s LEU 412 Ca 0.13 0.71 0.05 0.00 -0.22 0.00 0.00 54.13 54.80 1h3g s LEU 412 Cb -0.16 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 1h3g s LEU 412 CO 0.11 0.22 -0.14 0.72 -1.32 0.00 0.00 176.35 175.95 1h3g s PHE 413 N -0.33 1.20 -0.05 5.38 -0.12 -1.26 0.80 117.98 123.59 1h3g s PHE 413 Ca 0.20 -0.46 0.16 0.00 -0.05 0.00 0.00 56.93 56.77 1h3g s PHE 413 Cb -0.14 -0.67 0.23 0.00 -0.63 0.00 0.00 43.02 41.80 1h3g s PHE 413 CO 0.08 0.05 1.52 0.78 -0.05 0.00 0.00 175.22 177.60 1h3g h GLY 414 N 4.29 0.00 0.00 1.99 0.00 -1.68 -3.46 103.07 104.21 1h3g h GLY 414 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1h3g h GLY 414 CO 0.40 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.55 1h3g n GLY 415 N 0.95 -1.63 3.82 4.60 0.00 -1.26 -4.97 105.19 106.71 1h3g n GLY 415 Ca 0.01 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 1h3g n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3g s ASN 416 N -0.71 -0.10 0.00 1.61 2.20 -1.26 -4.25 114.94 112.43 1h3g s ASN 416 Ca 0.00 -0.75 0.07 0.00 -0.94 0.00 0.00 52.86 51.25 1h3g s ASN 416 Cb 0.00 0.66 0.44 0.00 -2.00 0.00 0.00 41.25 40.35 1h3g s ASN 416 CO 0.00 -1.27 0.84 0.00 -2.94 0.00 0.00 177.10 173.73 1h3g n HIS 417 N -0.54 0.00 -1.34 1.54 1.44 -1.26 -4.72 115.22 110.33 1h3g n HIS 417 Ca -0.06 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.65 1h3g n HIS 417 Cb 0.60 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.92 1h3g n HIS 417 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1h3g n ASP 418 N -0.83 2.73 -4.78 4.39 10.43 -1.26 -4.81 116.55 122.42 1h3g n ASP 418 Ca 0.05 -3.59 -0.36 0.00 2.57 0.00 0.00 54.79 53.47 1h3g n ASP 418 Cb 0.03 -0.60 -0.03 0.00 1.84 0.00 0.00 41.12 42.35 1h3g n ASP 418 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1h3g s ALA 420 N -3.14 2.95 0.72 2.24 0.00 -1.26 -5.03 121.76 118.24 1h3g s ALA 420 Ca 0.43 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1h3g s ALA 420 Cb 0.39 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1h3g s ALA 420 CO 0.02 -0.40 0.00 0.54 0.00 0.00 0.00 175.76 175.91 1h3g n ARG 421 N -0.57 2.30 0.00 0.00 5.12 -1.26 -4.72 116.66 117.53 1h3g n ARG 421 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1h3g n ARG 421 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 1h3g n ARG 421 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1h3g n PHE 423 N 0.00 0.00 0.10 -1.55 7.35 -1.26 0.12 117.46 122.22 1h3g n PHE 423 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 1h3g n PHE 423 Cb 0.00 0.00 0.07 0.00 0.35 0.00 0.00 39.48 39.90 1h3g n PHE 423 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1h3g h SER 424 N 0.00 0.18 0.36 -2.13 0.02 -1.90 0.18 113.55 110.26 1h3g h SER 424 Ca 0.00 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 1h3g h SER 424 Cb 0.00 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1h3g h SER 424 CO 0.00 0.84 -0.19 0.00 -1.14 0.00 0.00 176.83 176.34 1h3g h ALA 425 N 1.15 1.38 -0.00 3.77 0.00 0.67 -0.07 119.26 126.15 1h3g h ALA 425 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1h3g h ALA 425 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1h3g h ALA 425 CO 0.11 0.24 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 1h3g n ALA 426 N -2.36 2.70 -1.11 0.00 0.00 -0.96 -4.32 120.51 114.45 1h3g n ALA 426 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1h3g n ALA 426 Cb 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1h3g n ALA 426 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3g n GLY 427 N 1.25 0.77 3.87 0.00 0.00 -0.04 -3.64 105.19 107.41 1h3g n GLY 427 Ca 0.15 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1h3g n GLY 427 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h3g n GLU 428 N -1.63 -5.16 -3.77 1.61 1.02 0.59 -4.92 120.64 108.39 1h3g n GLU 428 Ca 0.00 0.58 -0.37 0.00 -0.02 0.00 0.00 57.16 57.35 1h3g n GLU 428 Cb 0.21 -5.45 -0.12 0.00 -0.02 0.00 0.00 31.44 26.07 1h3g n GLU 428 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1h3g s ASP 429 N -3.23 5.27 0.31 1.62 -1.08 -1.24 -4.98 116.67 113.33 1h3g s ASP 429 Ca 0.65 -1.38 0.03 0.00 -0.52 0.00 0.00 52.55 51.33 1h3g s ASP 429 Cb -0.33 -1.85 0.60 0.00 -1.46 0.00 0.00 42.92 39.89 1h3g s ASP 429 CO 0.80 -0.38 1.87 0.15 0.52 0.00 0.00 175.17 178.13 1h3g h PHE 430 N 8.17 1.03 -0.48 -5.34 3.57 -1.91 -0.84 116.94 121.15 1h3g h PHE 430 Ca -0.21 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.24 1h3g h PHE 430 Cb 1.07 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1h3g h PHE 430 CO 0.59 0.46 -0.03 -0.44 -2.23 0.00 0.00 178.31 176.66 1h3g h ASP 431 N 0.94 0.80 -0.13 0.41 3.32 -1.94 0.51 116.42 120.34 1h3g h ASP 431 Ca 0.44 -0.21 -0.22 0.00 0.02 0.00 0.00 57.03 57.07 1h3g h ASP 431 Cb 0.42 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1h3g h ASP 431 CO -0.20 0.88 -0.74 0.03 -1.72 0.00 0.00 179.24 177.49 1h3g h ARG 432 N 0.76 0.78 -0.39 3.56 3.08 -1.64 -2.67 114.38 117.86 1h3g h ARG 432 Ca 0.14 -0.61 0.02 0.00 0.07 0.00 0.00 59.98 59.60 1h3g h ARG 432 Cb 0.51 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1h3g h ARG 432 CO 0.03 1.22 0.26 2.35 -1.07 0.00 0.00 179.97 182.76 1h3g h TRP 433 N 0.54 0.45 0.00 3.04 7.01 -0.89 -1.43 115.95 124.67 1h3g h TRP 433 Ca -0.04 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1h3g h TRP 433 Cb 1.36 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 1h3g h TRP 433 CO 0.08 0.27 0.00 -2.13 -2.79 0.00 0.00 178.44 173.88 1h3g n ARG 434 N -4.48 0.20 0.00 2.65 0.63 0.15 -1.33 116.66 114.48 1h3g n ARG 434 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1h3g n ARG 434 Cb 0.10 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 31.78 1h3g n ARG 434 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1h3g n ASN 436 N 0.63 0.00 -0.09 6.15 4.05 -0.54 -1.81 115.26 123.65 1h3g n ASN 436 Ca 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.93 1h3g n ASN 436 Cb 0.07 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.05 1h3g n ASN 436 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1h3g h LEU 437 N 0.00 0.40 -0.71 1.20 5.85 -1.48 -0.69 115.31 119.88 1h3g h LEU 437 Ca 0.00 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1h3g h LEU 437 Cb 0.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1h3g h LEU 437 CO 0.00 0.50 0.32 0.58 -0.34 0.00 0.00 178.44 179.50 1h3g h VAL 438 N 0.29 1.24 -0.08 1.05 2.07 -1.63 -2.54 116.25 116.64 1h3g h VAL 438 Ca 0.09 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1h3g h VAL 438 Cb 0.24 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1h3g h VAL 438 CO -0.00 0.29 0.01 0.15 0.02 0.00 0.00 177.57 178.04 1h3g h PHE 439 N 1.01 0.02 0.00 1.57 3.57 -1.78 -0.60 116.94 120.72 1h3g h PHE 439 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1h3g h PHE 439 Cb 0.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1h3g h PHE 439 CO 0.01 0.01 0.00 -0.11 -2.23 0.00 0.00 178.31 175.99 1h3g n LEU 440 N -5.09 0.00 0.00 0.59 7.94 -0.28 -4.91 117.00 115.25 1h3g n LEU 440 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1h3g n LEU 440 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1h3g n LEU 440 CO 0.31 0.00 0.00 0.35 -1.11 0.00 0.00 177.39 176.94 1h3g n THR 442 N 0.71 0.00 -3.75 1.96 -2.24 -0.24 -4.53 114.28 106.19 1h3g n THR 442 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1h3g n THR 442 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 1h3g n THR 442 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1h3g n PRO 444 N 0.00 2.26 -3.88 -0.78 -0.04 -1.26 -4.91 135.00 126.38 1h3g n PRO 444 Ca 0.00 -4.50 -0.08 0.00 -0.04 0.00 0.00 63.50 58.88 1h3g n PRO 444 Cb 0.00 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.09 1h3g n PRO 444 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1h3g s ARG 445 N -1.51 1.69 -0.34 0.54 1.81 -1.26 -4.17 118.95 115.70 1h3g s ARG 445 Ca 0.27 -1.04 -0.19 0.00 -1.72 0.00 0.00 55.73 53.05 1h3g s ARG 445 Cb -0.04 0.57 -0.00 0.00 -0.45 0.00 0.00 34.95 35.02 1h3g s ARG 445 CO -0.14 -0.75 0.58 0.42 -0.68 0.00 0.00 175.30 174.72 1h3g s ILE 446 N -3.94 4.96 0.20 1.52 1.01 -0.20 -4.82 121.20 119.93 1h3g s ILE 446 Ca 0.14 0.55 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 1h3g s ILE 446 Cb -0.04 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.35 1h3g s ILE 446 CO 0.06 -0.22 0.98 -2.16 0.00 0.00 0.00 174.94 173.61 1h3g s PRO 447 N 2.54 4.76 -0.03 2.79 0.04 -1.26 -0.18 135.00 143.67 1h3g s PRO 447 Ca 0.22 1.54 0.05 0.00 0.04 0.00 0.00 61.00 62.85 1h3g s PRO 447 Cb -0.15 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 1h3g s PRO 447 CO 0.13 0.36 -0.17 -1.14 0.04 0.00 0.00 177.00 176.22 1h3g s GLN 448 N -0.82 1.62 -0.00 4.56 -0.44 0.24 -0.40 119.66 124.42 1h3g s GLN 448 Ca 0.44 -0.62 0.07 0.00 -2.50 0.00 0.00 55.36 52.76 1h3g s GLN 448 Cb -0.26 -1.47 -0.02 0.00 -1.64 0.00 0.00 33.01 29.61 1h3g s GLN 448 CO 0.33 0.30 -0.23 0.12 0.50 0.00 0.00 175.29 176.31 1h3g s PHE 449 N -0.16 2.07 -0.31 1.67 2.19 0.25 -1.58 117.98 122.11 1h3g s PHE 449 Ca 0.01 -0.39 -0.12 0.00 0.33 0.00 0.00 56.93 56.76 1h3g s PHE 449 Cb -0.09 -1.31 -0.03 0.00 -1.31 0.00 0.00 43.02 40.28 1h3g s PHE 449 CO 0.01 0.01 0.20 -0.47 1.83 0.00 0.00 175.22 176.80 1h3g s TYR 450 N -0.61 3.21 0.05 10.12 5.04 -1.26 0.09 117.35 133.99 1h3g s TYR 450 Ca 0.09 -0.15 -0.37 0.00 -2.44 0.00 0.00 57.07 54.19 1h3g s TYR 450 Cb -0.09 -2.42 -0.19 0.00 0.35 0.00 0.00 41.96 39.62 1h3g s TYR 450 CO -0.00 -0.30 1.09 0.45 -1.34 0.00 0.00 175.55 175.45 1h3g n SER 451 N 5.06 0.38 0.00 4.32 2.88 0.29 -1.01 113.62 125.55 1h3g n SER 451 Ca -0.13 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1h3g n SER 451 Cb 0.50 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1h3g n SER 451 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h3g n GLY 452 N 1.83 2.05 0.18 0.46 0.00 -1.26 -4.89 105.19 103.56 1h3g n GLY 452 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1h3g n GLY 452 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h3g h ASP 453 N 0.73 0.00 0.29 1.61 3.32 -1.47 -2.64 116.42 118.25 1h3g h ASP 453 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h3g h ASP 453 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h3g h ASP 453 CO 0.00 0.00 -0.01 -1.84 -1.72 0.00 0.00 179.24 175.67 1h3g n GLU 454 N -2.51 0.74 -0.81 3.56 0.00 -1.26 -2.46 120.64 117.90 1h3g n GLU 454 Ca 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 57.16 57.16 1h3g n GLU 454 Cb 0.25 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.29 1h3g n GLU 454 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1h3g n ILE 455 N -1.07 1.02 -1.82 3.84 -5.35 -1.00 -1.39 119.36 113.58 1h3g n ILE 455 Ca 0.19 -1.76 0.00 0.00 -0.27 0.00 0.00 62.75 60.90 1h3g n ILE 455 Cb 0.20 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1h3g n ILE 455 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1h3g n LEU 456 N -0.42 -4.77 -3.81 7.28 4.77 -1.03 -4.79 117.00 114.24 1h3g n LEU 456 Ca 0.11 2.97 -0.06 0.00 -0.03 0.00 0.00 56.01 58.99 1h3g n LEU 456 Cb 0.84 -3.04 -0.02 0.00 -2.33 0.00 0.00 43.42 38.88 1h3g n LEU 456 CO -0.03 -0.35 0.55 0.42 -1.33 0.00 0.00 177.39 176.66 1h3g s THR 458 N -2.23 0.00 0.38 -5.08 -4.23 -1.26 -4.87 115.64 98.35 1h3g s THR 458 Ca 0.00 -0.84 -0.14 0.00 -1.18 0.00 0.00 61.69 59.52 1h3g s THR 458 Cb 0.00 -1.95 0.05 0.00 1.34 0.00 0.00 72.50 71.94 1h3g s THR 458 CO 0.00 0.00 0.76 -0.94 -0.54 0.00 0.00 174.62 173.90 1h3g s SER 459 N -2.92 0.10 0.83 3.99 1.04 -1.26 -4.86 113.70 110.62 1h3g s SER 459 Ca 0.11 -1.18 -0.11 0.00 0.48 0.00 0.00 55.95 55.25 1h3g s SER 459 Cb -0.04 0.83 0.09 0.00 0.10 0.00 0.00 66.02 67.00 1h3g s SER 459 CO 0.05 -1.65 1.09 0.42 0.98 0.00 0.00 173.24 174.13 1h3g s THR 460 N -2.40 2.96 0.00 2.02 -4.23 -1.26 -4.81 115.64 107.92 1h3g s THR 460 Ca 0.17 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1h3g s THR 460 Cb -0.05 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1h3g s THR 460 CO 0.12 -0.41 0.00 0.52 -0.54 0.00 0.00 174.62 174.32 1h3g n VAL 461 N -3.62 0.00 -3.64 2.29 0.31 -1.26 -4.51 118.33 107.90 1h3g n VAL 461 Ca 0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.04 1h3g n VAL 461 Cb 0.55 -0.62 -0.07 0.00 -0.91 0.00 0.00 33.84 32.79 1h3g n VAL 461 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1h3g s LYS 462 N -1.93 4.18 1.12 5.55 2.20 -1.26 -4.88 119.74 124.71 1h3g s LYS 462 Ca 0.00 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1h3g s LYS 462 Cb 0.00 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1h3g s LYS 462 CO 0.00 0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.70 1h3g n GLY 463 N 3.34 -1.02 0.00 5.54 0.00 -1.26 -4.87 105.19 106.92 1h3g n GLY 463 Ca -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1h3g n GLY 463 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1h3g n ARG 464 N 0.00 0.00 -3.04 1.61 1.85 -1.26 -4.98 116.66 110.84 1h3g n ARG 464 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 1h3g n ARG 464 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 1h3g n ARG 464 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1h3g n ASP 465 N 0.00 -7.17 -0.02 2.89 -0.08 -1.26 -4.94 116.55 105.97 1h3g n ASP 465 Ca 0.00 -0.26 -0.10 0.00 -1.51 0.00 0.00 54.79 52.92 1h3g n ASP 465 Cb 0.00 -5.06 -0.04 0.00 2.34 0.00 0.00 41.12 38.35 1h3g n ASP 465 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1h3g h ASP 466 N -0.02 0.01 -1.00 1.67 5.19 -1.95 -2.84 116.42 117.48 1h3g h ASP 466 Ca -0.18 0.02 0.30 0.00 -0.62 0.00 0.00 57.03 56.55 1h3g h ASP 466 Cb 1.09 0.02 -0.14 0.00 0.18 0.00 0.00 39.33 40.48 1h3g h ASP 466 CO 0.33 0.03 0.56 0.00 -3.12 0.00 0.00 179.24 177.04 1h3g h ALA 467 N 1.10 1.89 0.00 3.45 0.00 -1.92 0.36 119.26 124.13 1h3g h ALA 467 Ca 0.06 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1h3g h ALA 467 Cb 0.05 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h3g h ALA 467 CO -0.08 -0.50 -0.08 1.03 0.00 0.00 0.00 179.25 179.62 1h3g h SER 468 N 0.38 0.00 0.13 0.00 0.87 -1.85 -1.87 113.55 111.20 1h3g h SER 468 Ca 0.71 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.27 1h3g h SER 468 Cb 1.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1h3g h SER 468 CO -0.58 0.08 -0.13 -1.22 -0.53 0.00 0.00 176.83 174.45 1h3g n TYR 469 N -3.58 0.00 -1.88 2.24 4.01 0.13 -4.35 117.16 113.73 1h3g n TYR 469 Ca -0.02 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.77 1h3g n TYR 469 Cb 0.20 -0.07 0.11 0.00 -0.31 0.00 0.00 39.34 39.27 1h3g n TYR 469 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1h3g n ARG 470 N -0.31 0.80 -1.00 -0.72 1.74 -0.71 -4.72 116.66 111.75 1h3g n ARG 470 Ca 0.15 -2.46 -0.33 0.00 -0.77 0.00 0.00 57.85 54.44 1h3g n ARG 470 Cb 0.34 -0.91 0.13 0.00 -1.02 0.00 0.00 32.46 31.01 1h3g n ARG 470 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1h3g n ARG 471 N -0.48 0.01 -1.90 5.56 5.12 -1.24 -4.88 116.66 118.86 1h3g n ARG 471 Ca 0.12 0.08 -0.39 0.00 -1.93 0.00 0.00 57.85 55.73 1h3g n ARG 471 Cb 0.84 -2.36 0.02 0.00 -1.16 0.00 0.00 32.46 29.79 1h3g n ARG 471 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1h3g s ASP 472 N -2.20 5.76 0.02 0.55 1.01 -1.26 -4.92 116.67 115.64 1h3g s ASP 472 Ca 0.71 2.74 -0.30 0.00 0.71 0.00 0.00 52.55 56.40 1h3g s ASP 472 Cb -0.28 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 40.96 1h3g s ASP 472 CO 0.54 -1.23 1.30 0.12 0.21 0.00 0.00 175.17 176.11 1h3g s PHE 473 N -1.29 3.14 -0.16 4.23 5.36 -0.43 -4.94 117.98 123.88 1h3g s PHE 473 Ca 0.64 1.05 -0.29 0.00 -0.96 0.00 0.00 56.93 57.37 1h3g s PHE 473 Cb -0.40 -3.55 -0.04 0.00 -0.34 0.00 0.00 43.02 38.69 1h3g s PHE 473 CO 0.49 -1.90 1.76 -1.25 -1.46 0.00 0.00 175.22 172.86 1h3g s PRO 474 N 1.81 3.79 0.00 10.12 0.04 -1.26 -1.75 135.00 147.75 1h3g s PRO 474 Ca 0.61 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1h3g s PRO 474 Cb -0.30 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1h3g s PRO 474 CO 0.27 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.40 1h3g n GLY 475 N 4.75 1.69 0.12 0.56 0.00 -1.18 -0.27 105.19 110.85 1h3g n GLY 475 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1h3g n GLY 475 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3g n GLY 476 N -0.22 -1.56 3.31 -0.02 0.00 -0.71 -4.80 105.19 101.19 1h3g n GLY 476 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1h3g n GLY 476 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h3g s TRP 477 N -3.18 2.21 0.01 1.61 0.51 -1.26 0.52 118.94 119.35 1h3g s TRP 477 Ca 0.08 -0.41 -0.35 0.00 -2.12 0.00 0.00 56.10 53.30 1h3g s TRP 477 Cb 0.11 -1.36 -0.14 0.00 -0.81 0.00 0.00 33.47 31.28 1h3g s TRP 477 CO 0.53 0.06 1.64 0.00 -0.51 0.00 0.00 176.95 178.67 1h3g n ALA 478 N 2.03 0.50 -2.72 0.98 0.00 -1.26 -2.72 120.51 117.31 1h3g n ALA 478 Ca -0.17 0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 1h3g n ALA 478 Cb 0.52 -2.32 0.02 0.00 0.00 0.00 0.00 19.45 17.67 1h3g n ALA 478 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3g n GLY 479 N 3.62 0.52 3.80 0.00 0.00 -1.26 -5.04 105.19 106.84 1h3g n GLY 479 Ca 0.20 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1h3g n GLY 479 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h3g s ASP 480 N -3.12 7.15 0.00 1.61 1.01 -1.10 -5.01 116.67 117.20 1h3g s ASP 480 Ca 0.13 1.36 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1h3g s ASP 480 Cb -0.06 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1h3g s ASP 480 CO 0.19 0.26 0.86 0.29 0.21 0.00 0.00 175.17 176.98 1h3g n LYS 481 N 1.68 0.00 -2.53 8.23 4.76 -1.26 -4.54 118.16 124.50 1h3g n LYS 481 Ca -0.09 0.38 -0.42 0.00 -2.87 0.00 0.00 58.31 55.32 1h3g n LYS 481 Cb 0.50 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.29 1h3g n LYS 481 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h3g s ALA 482 N -2.78 3.34 -0.35 7.82 0.00 -1.26 -4.50 121.76 124.03 1h3g s ALA 482 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1h3g s ALA 482 Cb 0.00 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 19.85 1h3g s ALA 482 CO 0.00 -0.28 0.13 1.21 0.00 0.00 0.00 175.76 176.82 1h3g s ASN 483 N 0.49 3.96 0.54 0.00 3.84 0.33 -3.11 114.94 120.98 1h3g s ASN 483 Ca 0.53 -1.95 0.26 0.00 0.21 0.00 0.00 52.86 51.91 1h3g s ASN 483 Cb -0.28 -0.95 1.52 0.00 -0.55 0.00 0.00 41.25 40.99 1h3g s ASN 483 CO 0.31 -0.37 2.13 0.00 -2.79 0.00 0.00 177.10 176.38 1h3g h ALA 484 N 7.67 1.43 0.00 1.71 0.00 -0.88 0.23 119.26 129.43 1h3g h ALA 484 Ca -0.09 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1h3g h ALA 484 Cb 0.99 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1h3g h ALA 484 CO 0.47 0.10 -0.27 0.74 0.00 0.00 0.00 179.25 180.30 1h3g h PHE 485 N 0.00 0.00 -0.00 0.00 -1.00 -1.92 -3.28 116.94 110.74 1h3g h PHE 485 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1h3g h PHE 485 Cb 0.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1h3g h PHE 485 CO 0.00 0.27 -0.21 -1.13 -1.61 0.00 0.00 178.31 175.63 1h3g n SER 486 N -3.37 0.21 0.00 2.17 3.41 -0.68 -4.99 113.62 110.37 1h3g n SER 486 Ca 0.00 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1h3g n SER 486 Cb 0.48 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 1h3g n SER 486 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h3g n GLY 487 N 1.10 2.82 3.64 5.00 0.00 0.73 -4.99 105.19 113.49 1h3g n GLY 487 Ca 0.01 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.45 1h3g n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3g n ALA 488 N -0.15 -0.10 -0.72 4.61 0.00 -1.13 -0.80 120.51 122.23 1h3g n ALA 488 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1h3g n ALA 488 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1h3g n ALA 488 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3g n GLY 489 N 4.78 0.83 3.72 0.00 0.00 -1.26 0.12 105.19 113.38 1h3g n GLY 489 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 1h3g n GLY 489 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h3g s LEU 490 N 0.00 4.42 1.04 0.99 1.02 0.02 -4.69 118.68 121.48 1h3g s LEU 490 Ca 0.00 1.68 -0.12 0.00 0.02 0.00 0.00 54.13 55.71 1h3g s LEU 490 Cb 0.00 -3.54 0.21 0.00 0.02 0.00 0.00 46.19 42.88 1h3g s LEU 490 CO 0.00 -0.17 1.07 0.42 0.02 0.00 0.00 176.35 177.69 1h3g s THR 491 N 0.57 2.16 0.27 5.49 -4.23 -1.26 -4.77 115.64 113.86 1h3g s THR 491 Ca 0.49 0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 1h3g s THR 491 Cb -0.22 -2.36 0.17 0.00 1.34 0.00 0.00 72.50 71.44 1h3g s THR 491 CO 0.28 -0.07 1.84 0.28 -0.54 0.00 0.00 174.62 176.41 1h3g h SER 492 N -2.11 0.89 -0.48 3.99 0.02 -1.99 -2.04 113.55 111.82 1h3g h SER 492 Ca -0.56 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.24 1h3g h SER 492 Cb 1.32 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1h3g h SER 492 CO 0.53 0.80 0.20 -0.61 -1.14 0.00 0.00 176.83 176.62 1h3g h GLN 493 N 0.94 0.72 -0.66 3.45 4.15 -1.99 -1.75 115.11 119.97 1h3g h GLN 493 Ca 0.22 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1h3g h GLN 493 Cb 0.21 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1h3g h GLN 493 CO -0.02 0.64 0.35 1.96 -1.93 0.00 0.00 178.83 179.83 1h3g h GLN 494 N 0.64 0.92 -0.51 1.69 4.20 -1.78 -0.45 115.11 119.82 1h3g h GLN 494 Ca 0.16 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1h3g h GLN 494 Cb 0.18 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1h3g h GLN 494 CO -0.01 0.70 -0.03 0.00 -0.67 0.00 0.00 178.83 178.82 1h3g h ARG 495 N 0.90 0.87 -0.35 1.46 3.08 -1.17 -1.20 114.38 117.97 1h3g h ARG 495 Ca 0.23 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1h3g h ARG 495 Cb 0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1h3g h ARG 495 CO -0.04 0.89 0.07 0.00 -1.07 0.00 0.00 179.97 179.82 1h3g h ALA 496 N 1.16 0.46 -0.20 0.04 0.00 -0.85 0.25 119.26 120.12 1h3g h ALA 496 Ca 0.15 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1h3g h ALA 496 Cb 0.52 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1h3g h ALA 496 CO 0.03 0.15 -0.06 0.00 0.00 0.00 0.00 179.25 179.37 1h3g h ALA 497 N 0.91 0.12 -0.68 0.00 0.00 -0.88 0.94 119.26 119.67 1h3g h ALA 497 Ca 0.11 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1h3g h ALA 497 Cb 0.34 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1h3g h ALA 497 CO 0.00 -0.48 0.20 0.37 0.00 0.00 0.00 179.25 179.34 1h3g h GLN 498 N -0.01 1.05 -0.35 0.00 4.15 0.02 0.01 115.11 119.97 1h3g h GLN 498 Ca 0.10 -0.22 -0.09 0.00 0.77 0.00 0.00 58.65 59.21 1h3g h GLN 498 Cb 0.17 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1h3g h GLN 498 CO -0.22 0.90 -0.15 -0.44 -1.93 0.00 0.00 178.83 177.00 1h3g h ASP 499 N 1.01 0.62 -0.11 -0.69 3.45 0.04 -1.41 116.42 119.32 1h3g h ASP 499 Ca 0.22 -0.18 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 1h3g h ASP 499 Cb 0.30 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1h3g h ASP 499 CO -0.01 0.79 -0.13 0.25 -1.57 0.00 0.00 179.24 178.57 1h3g h LEU 500 N 0.57 0.31 -0.17 1.55 5.85 -0.21 -0.84 115.31 122.38 1h3g h LEU 500 Ca 0.10 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.37 1h3g h LEU 500 Cb 0.58 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1h3g h LEU 500 CO 0.04 0.75 -0.16 0.58 -0.34 0.00 0.00 178.44 179.30 1h3g h VAL 501 N -0.12 0.56 -0.02 1.05 2.07 -0.92 0.42 116.25 119.29 1h3g h VAL 501 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1h3g h VAL 501 Cb 0.67 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1h3g h VAL 501 CO 0.03 0.00 -0.10 -0.09 0.02 0.00 0.00 177.57 177.43 1h3g h ARG 502 N -0.18 -0.15 -0.83 1.57 2.43 -1.21 0.12 114.38 116.11 1h3g h ARG 502 Ca 0.11 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1h3g h ARG 502 Cb 0.34 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1h3g h ARG 502 CO -0.28 -0.10 0.43 -0.22 -1.51 0.00 0.00 179.97 178.29 1h3g h LYS 503 N -0.16 1.18 -0.04 0.20 3.64 -0.70 -1.64 116.57 119.05 1h3g h LYS 503 Ca 0.05 -0.15 -0.23 0.00 -1.27 0.00 0.00 60.65 59.04 1h3g h LYS 503 Cb 0.22 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1h3g h LYS 503 CO -0.12 0.89 -0.92 1.25 -2.27 0.00 0.00 179.45 178.27 1h3g h LEU 504 N 1.17 0.73 -0.11 5.20 5.85 0.26 -2.05 115.31 126.37 1h3g h LEU 504 Ca 0.29 -0.55 -0.24 0.00 0.84 0.00 0.00 57.88 58.21 1h3g h LEU 504 Cb 0.07 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 40.89 1h3g h LEU 504 CO -0.04 1.35 -0.94 0.00 -0.34 0.00 0.00 178.44 178.47 1h3g h ALA 505 N 0.62 0.26 -0.06 1.25 0.00 -0.77 -1.56 119.26 119.00 1h3g h ALA 505 Ca -0.09 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.05 1h3g h ALA 505 Cb 1.56 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1h3g h ALA 505 CO 0.17 0.72 -0.45 -0.91 0.00 0.00 0.00 179.25 178.78 1h3g h ASN 506 N 0.39 0.13 -0.15 0.00 2.35 -1.34 -2.57 115.58 114.39 1h3g h ASN 506 Ca -0.09 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.54 1h3g h ASN 506 Cb 1.57 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.90 1h3g h ASN 506 CO 0.18 0.57 -0.14 -0.25 -1.65 0.00 0.00 177.43 176.14 1h3g h TRP 507 N 0.11 0.43 -0.99 1.19 7.01 -1.32 -3.21 115.95 119.17 1h3g h TRP 507 Ca 0.01 -0.13 0.14 0.00 2.11 0.00 0.00 58.89 61.02 1h3g h TRP 507 Cb 0.84 -0.09 -0.09 0.00 -2.10 0.00 0.00 29.16 27.72 1h3g h TRP 507 CO 0.01 0.74 0.62 -0.09 -2.79 0.00 0.00 178.44 176.93 1h3g h ARG 508 N 0.00 0.88 -0.10 2.65 2.43 -1.01 0.85 114.38 120.08 1h3g h ARG 508 Ca 0.03 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1h3g h ARG 508 Cb 0.67 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1h3g h ARG 508 CO 0.04 0.58 0.11 0.87 -1.51 0.00 0.00 179.97 180.06 1h3g h LYS 509 N 0.91 0.00 -0.63 0.20 1.57 -1.46 0.14 116.57 117.29 1h3g h LYS 509 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1h3g h LYS 509 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1h3g h LYS 509 CO -0.28 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.69 1h3g n ASN 510 N -3.83 4.60 -3.74 0.86 3.02 0.28 -4.70 115.26 111.74 1h3g n ASN 510 Ca -0.00 -2.42 -0.31 0.00 -0.03 0.00 0.00 54.58 51.82 1h3g n ASN 510 Cb 0.22 -0.56 -0.08 0.00 -0.61 0.00 0.00 39.78 38.75 1h3g n ASN 510 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h3g n GLN 511 N 1.08 2.58 -0.04 3.52 1.13 0.03 -4.89 117.38 120.80 1h3g n GLN 511 Ca 0.25 -4.58 0.24 0.00 -1.94 0.00 0.00 57.00 50.97 1h3g n GLN 511 Cb 0.85 -2.32 0.72 0.00 0.11 0.00 0.00 30.24 29.60 1h3g n GLN 511 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1h3g h PRO 512 N 4.97 0.00 -0.20 -1.09 0.13 -1.84 0.27 132.00 134.24 1h3g h PRO 512 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1h3g h PRO 512 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1h3g h PRO 512 CO 0.86 0.00 0.13 -0.24 -0.23 0.00 0.00 178.00 178.52 1h3g h VAL 513 N 0.00 1.06 0.02 1.56 3.04 -1.95 0.24 116.25 120.22 1h3g h VAL 513 Ca 0.30 -0.12 -0.21 0.00 -1.01 0.00 0.00 66.70 65.66 1h3g h VAL 513 Cb 1.37 0.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.40 1h3g h VAL 513 CO -0.00 0.06 -0.97 0.40 -1.01 0.00 0.00 177.57 176.05 1h3g h ILE 514 N 0.28 1.58 -0.11 3.17 2.04 -0.83 0.65 117.51 124.29 1h3g h ILE 514 Ca 0.07 -2.98 -0.05 0.00 1.00 0.00 0.00 64.86 62.91 1h3g h ILE 514 Cb -0.02 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1h3g h ILE 514 CO -0.02 0.86 -0.12 0.45 0.00 0.00 0.00 178.15 179.33 1h3g h HIS 515 N 0.05 0.33 0.00 1.37 3.86 -1.08 -3.39 115.15 116.28 1h3g h HIS 515 Ca -0.04 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1h3g h HIS 515 Cb 1.66 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 30.06 1h3g h HIS 515 CO 0.02 0.69 0.00 0.09 0.86 0.00 0.00 177.93 179.59 1h3g n ASN 516 N -4.62 0.30 -4.68 2.45 5.03 -0.05 -4.72 115.26 108.97 1h3g n ASN 516 Ca -0.07 -0.63 -0.29 0.00 0.87 0.00 0.00 54.58 54.47 1h3g n ASN 516 Cb 0.34 0.55 0.17 0.00 -1.02 0.00 0.00 39.78 39.82 1h3g n ASN 516 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1h3g s GLY 517 N -0.55 1.57 0.77 7.41 0.00 0.22 -5.02 107.32 111.72 1h3g s GLY 517 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.30 1h3g s GLY 517 CO 0.00 0.28 1.13 0.50 0.00 0.00 0.00 173.10 175.01 1h3g s ARG 518 N -4.96 2.17 0.28 2.90 0.52 -0.14 -4.81 118.95 114.90 1h3g s ARG 518 Ca 0.65 0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.99 1h3g s ARG 518 Cb -0.18 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 1h3g s ARG 518 CO 0.57 -1.42 0.13 -0.11 0.02 0.00 0.00 175.30 174.50 1h3g n LEU 519 N -3.18 0.00 -3.58 2.53 7.94 -1.26 -1.77 117.00 117.68 1h3g n LEU 519 Ca 0.08 -2.27 -0.05 0.00 -1.11 0.00 0.00 56.01 52.66 1h3g n LEU 519 Cb 0.60 0.87 -0.02 0.00 0.53 0.00 0.00 43.42 45.41 1h3g n LEU 519 CO 0.56 -0.36 0.97 -1.38 -1.11 0.00 0.00 177.39 176.07 1h3g s HIS 521 N -2.75 -0.16 0.05 1.96 -3.43 -1.26 -4.98 115.29 104.72 1h3g s HIS 521 Ca 0.19 0.09 0.08 0.00 -0.80 0.00 0.00 55.06 54.62 1h3g s HIS 521 Cb 0.01 0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 31.65 1h3g s HIS 521 CO 0.13 -0.25 -0.21 -0.06 -2.00 0.00 0.00 174.74 172.35 1h3g s PHE 522 N -2.52 2.47 0.11 0.38 0.08 -0.49 -4.98 117.98 113.03 1h3g s PHE 522 Ca 0.09 -0.31 -0.33 0.00 0.12 0.00 0.00 56.93 56.49 1h3g s PHE 522 Cb -0.01 -1.42 -0.13 0.00 -0.57 0.00 0.00 43.02 40.89 1h3g s PHE 522 CO -0.05 0.22 1.69 0.41 -0.10 0.00 0.00 175.22 177.39 1h3g n GLY 523 N 1.56 1.32 3.76 4.36 0.00 -1.26 -4.47 105.19 110.45 1h3g n GLY 523 Ca -0.16 0.70 -0.38 0.00 0.00 0.00 0.00 46.02 46.17 1h3g n GLY 523 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h3g s PRO 524 N 1.83 3.53 -0.03 1.61 0.04 -1.26 -4.89 135.00 135.82 1h3g s PRO 524 Ca 0.82 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.94 1h3g s PRO 524 Cb -0.63 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 31.51 1h3g s PRO 524 CO 0.40 -0.83 -0.03 -1.21 0.04 0.00 0.00 177.00 175.37 1h3g s GLU 525 N -2.69 0.55 -1.46 4.56 2.02 -0.95 -4.80 118.70 115.93 1h3g s GLU 525 Ca 0.66 -0.04 -0.11 0.00 0.02 0.00 0.00 54.97 55.49 1h3g s GLU 525 Cb -0.36 -0.62 0.07 0.00 0.10 0.00 0.00 34.13 33.32 1h3g s GLU 525 CO 0.44 -0.08 0.75 0.39 0.02 0.00 0.00 175.26 176.79 1h3g n GLU 526 N 3.93 -4.61 -2.30 1.61 -0.58 -1.26 -1.02 120.64 116.42 1h3g n GLU 526 Ca -0.25 0.59 -0.20 0.00 -0.42 0.00 0.00 57.16 56.88 1h3g n GLU 526 Cb 0.51 -5.41 -0.02 0.00 -0.57 0.00 0.00 31.44 25.95 1h3g n GLU 526 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1h3g n ASN 527 N -2.59 -5.67 -4.63 1.62 3.02 -0.70 -4.82 115.26 101.49 1h3g n ASN 527 Ca 0.00 0.07 -0.30 0.00 -0.03 0.00 0.00 54.58 54.32 1h3g n ASN 527 Cb 0.54 -4.77 -0.09 0.00 -0.61 0.00 0.00 39.78 34.86 1h3g n ASN 527 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1h3g s THR 528 N -2.96 3.71 -0.11 3.41 -4.23 -0.18 -0.54 115.64 114.74 1h3g s THR 528 Ca 0.00 -1.07 -0.07 0.00 -1.18 0.00 0.00 61.69 59.37 1h3g s THR 528 Cb 0.00 -2.74 0.04 0.00 1.34 0.00 0.00 72.50 71.14 1h3g s THR 528 CO 0.00 0.15 0.27 0.86 -0.54 0.00 0.00 174.62 175.37 1h3g s TRP 529 N -1.23 -0.35 -0.02 3.99 -0.00 -1.26 -2.25 118.94 117.82 1h3g s TRP 529 Ca 0.23 0.82 0.05 0.00 -0.00 0.00 0.00 56.10 57.20 1h3g s TRP 529 Cb -0.11 0.09 -0.01 0.00 -0.00 0.00 0.00 33.47 33.44 1h3g s TRP 529 CO 0.15 -0.21 -0.17 0.08 -0.00 0.00 0.00 176.95 176.80 1h3g s VAL 530 N 0.83 1.38 0.14 5.86 1.01 -1.26 -4.08 120.40 124.28 1h3g s VAL 530 Ca -0.06 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1h3g s VAL 530 Cb -0.07 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1h3g s VAL 530 CO -0.05 0.39 0.39 -0.72 0.00 0.00 0.00 175.10 175.10 1h3g s TYR 531 N -0.29 -0.05 0.03 5.22 1.13 -0.48 -1.40 117.35 121.50 1h3g s TYR 531 Ca 0.04 -0.29 0.05 0.00 -1.41 0.00 0.00 57.07 55.46 1h3g s TYR 531 Cb -0.08 0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 40.97 1h3g s TYR 531 CO 0.00 -0.73 -0.16 -0.06 -2.51 0.00 0.00 175.55 172.09 1h3g s PHE 532 N -3.85 1.38 -0.18 -3.49 0.40 -1.26 -1.17 117.98 109.81 1h3g s PHE 532 Ca 0.07 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1h3g s PHE 532 Cb 0.02 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 1h3g s PHE 532 CO -0.08 0.03 -0.02 1.03 0.70 0.00 0.00 175.22 176.88 1h3g s ARG 533 N -0.95 3.63 0.04 0.44 1.81 -0.37 -4.16 118.95 119.38 1h3g s ARG 533 Ca 0.04 -0.53 -0.15 0.00 -1.72 0.00 0.00 55.73 53.37 1h3g s ARG 533 Cb -0.08 -2.98 0.02 0.00 -0.45 0.00 0.00 34.95 31.47 1h3g s ARG 533 CO 0.01 0.12 0.33 1.52 -0.68 0.00 0.00 175.30 176.61 1h3g s TYR 534 N 0.68 -0.16 0.38 -0.53 1.13 -0.73 -0.22 117.35 117.90 1h3g s TYR 534 Ca -0.01 0.08 -0.08 0.00 -1.41 0.00 0.00 57.07 55.64 1h3g s TYR 534 Cb -0.14 0.13 0.03 0.00 -1.10 0.00 0.00 41.96 40.88 1h3g s TYR 534 CO 0.02 -0.51 0.65 0.54 -2.51 0.00 0.00 175.55 173.74 1h3g s ASN 535 N -1.95 0.56 0.66 -0.18 2.20 -0.29 -0.97 114.94 114.96 1h3g s ASN 535 Ca -0.06 -1.39 0.42 0.00 -0.94 0.00 0.00 52.86 50.90 1h3g s ASN 535 Cb -0.01 0.78 2.34 0.00 -2.00 0.00 0.00 41.25 42.36 1h3g s ASN 535 CO -0.02 -1.54 2.35 0.07 -2.94 0.00 0.00 177.10 175.02 1h3g h LYS 536 N 2.03 0.00 0.00 3.55 -0.00 -1.95 -2.48 116.57 117.72 1h3g h LYS 536 Ca -0.31 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.28 1h3g h LYS 536 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.46 1h3g h LYS 536 CO 0.41 0.00 -1.26 -0.25 -0.00 0.00 0.00 179.45 178.35 1h3g n ASP 537 N -3.19 0.76 -3.59 7.07 9.92 -1.26 -4.17 116.55 122.10 1h3g n ASP 537 Ca -0.03 0.31 -0.06 0.00 -0.53 0.00 0.00 54.79 54.48 1h3g n ASP 537 Cb 0.08 0.50 -0.03 0.00 -0.64 0.00 0.00 41.12 41.02 1h3g n ASP 537 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1h3g s LYS 538 N -3.21 0.39 0.05 -1.24 2.20 -0.93 -2.95 119.74 114.05 1h3g s LYS 538 Ca -0.02 -0.05 0.08 0.00 -0.36 0.00 0.00 55.97 55.62 1h3g s LYS 538 Cb 0.10 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1h3g s LYS 538 CO 0.81 -0.15 -0.22 1.03 -0.36 0.00 0.00 175.35 176.45 1h3g s ARG 539 N -1.93 1.47 0.25 4.03 0.52 0.21 -1.14 118.95 122.36 1h3g s ARG 539 Ca 0.06 -1.02 0.03 0.00 -0.52 0.00 0.00 55.73 54.28 1h3g s ARG 539 Cb -0.01 -1.63 -0.01 0.00 0.52 0.00 0.00 34.95 33.82 1h3g s ARG 539 CO -0.04 0.41 0.09 -0.89 0.02 0.00 0.00 175.30 174.89 1h3g n ILE 540 N 1.73 0.00 -3.48 1.52 5.41 0.69 -0.93 119.36 124.30 1h3g n ILE 540 Ca -0.17 -1.46 0.02 0.00 1.00 0.00 0.00 62.75 62.13 1h3g n ILE 540 Cb 0.53 0.53 -0.05 0.00 -0.71 0.00 0.00 39.64 39.94 1h3g n ILE 540 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1h3g s VAL 542 N -2.50 -0.09 0.27 1.39 1.01 -0.32 -1.24 120.40 118.93 1h3g s VAL 542 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1h3g s VAL 542 Cb 0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1h3g s VAL 542 CO 0.09 0.00 0.07 0.00 0.00 0.00 0.00 175.10 175.26 1h3g s ALA 543 N 1.59 1.91 -0.29 5.51 0.00 -0.72 -1.38 121.76 128.38 1h3g s ALA 543 Ca -0.05 -1.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.00 1h3g s ALA 543 Cb -0.03 0.83 0.19 0.00 0.00 0.00 0.00 23.12 24.12 1h3g s ALA 543 CO -0.14 -0.38 0.74 1.21 0.00 0.00 0.00 175.76 177.20 1h3g s ASN 545 N -3.36 -1.20 -0.66 0.00 2.47 -0.20 -0.73 114.94 111.26 1h3g s ASN 545 Ca 0.35 0.28 -0.04 0.00 0.42 0.00 0.00 52.86 53.88 1h3g s ASN 545 Cb 0.08 1.82 0.08 0.00 -1.45 0.00 0.00 41.25 41.78 1h3g s ASN 545 CO 0.13 -0.22 2.66 -3.20 -3.72 0.00 0.00 177.10 172.75 1h3g n ASN 546 N 5.35 6.84 -4.06 -4.21 5.15 0.30 -2.43 115.26 122.22 1h3g n ASN 546 Ca 0.04 -3.21 -0.09 0.00 -0.60 0.00 0.00 54.58 50.72 1h3g n ASN 546 Cb 0.54 -1.26 -0.11 0.00 -0.53 0.00 0.00 39.78 38.43 1h3g n ASN 546 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1h3g s ASN 547 N 0.31 0.54 -0.25 1.20 0.01 -1.26 -4.86 114.94 110.62 1h3g s ASN 547 Ca 0.58 -0.75 0.07 0.00 -0.71 0.00 0.00 52.86 52.04 1h3g s ASN 547 Cb 0.34 0.13 0.55 0.00 0.41 0.00 0.00 41.25 42.67 1h3g s ASN 547 CO -0.20 -0.41 1.55 -0.90 -1.51 0.00 0.00 177.10 175.63 1h3g n ASP 548 N 0.84 4.02 -4.11 -1.22 3.85 -1.26 0.81 116.55 119.49 1h3g n ASP 548 Ca -0.19 -2.94 -0.16 0.00 -0.71 0.00 0.00 54.79 50.80 1h3g n ASP 548 Cb 0.58 -0.69 -0.12 0.00 -1.35 0.00 0.00 41.12 39.53 1h3g n ASP 548 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1h3g s LYS 549 N -2.36 0.67 0.00 0.11 -2.85 -1.26 -4.88 119.74 109.17 1h3g s LYS 549 Ca 0.41 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 1h3g s LYS 549 Cb 0.33 -0.56 0.00 0.00 -2.06 0.00 0.00 37.83 35.54 1h3g s LYS 549 CO 0.10 0.12 0.00 -2.30 0.10 0.00 0.00 175.35 173.37 1h3g n PRO 550 N 1.51 -1.60 -3.65 1.78 -0.02 -1.26 -4.12 135.00 127.65 1h3g n PRO 550 Ca -0.21 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.23 1h3g n PRO 550 Cb 0.55 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.97 1h3g n PRO 550 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1h3g s THR 552 N -0.99 -0.53 -0.32 3.45 2.01 -1.26 -4.92 115.64 113.09 1h3g s THR 552 Ca 0.00 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 1h3g s THR 552 Cb 0.00 -0.98 0.03 0.00 0.01 0.00 0.00 72.50 71.56 1h3g s THR 552 CO 0.00 0.00 0.08 -0.76 -0.69 0.00 0.00 174.62 173.25 1h3g s LEU 553 N 2.30 4.06 0.05 4.42 1.02 0.17 -4.89 118.68 125.82 1h3g s LEU 553 Ca -0.08 -1.00 -0.34 0.00 0.02 0.00 0.00 54.13 52.74 1h3g s LEU 553 Cb -0.09 -1.85 -0.12 0.00 0.02 0.00 0.00 46.19 44.15 1h3g s LEU 553 CO -0.19 -0.27 1.75 -2.65 0.02 0.00 0.00 176.35 175.01 1h3g n PRO 554 N 4.80 2.26 0.00 1.29 -0.02 -1.26 0.16 135.00 142.23 1h3g n PRO 554 Ca -0.13 0.82 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 1h3g n PRO 554 Cb 0.46 -2.65 0.76 0.00 -0.02 0.00 0.00 33.50 32.05 1h3g n PRO 554 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1h3g n THR 555 N 4.35 0.01 -0.22 3.45 -2.24 -0.98 -3.25 114.28 115.40 1h3g n THR 555 Ca 0.19 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.90 1h3g n THR 555 Cb 0.30 -0.60 0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1h3g n THR 555 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h3g h ALA 556 N 3.59 0.82 -0.89 6.98 0.00 -1.89 -2.63 119.26 125.23 1h3g h ALA 556 Ca 0.00 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.87 1h3g h ALA 556 Cb 0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 1h3g h ALA 556 CO 0.00 0.53 0.59 -0.09 0.00 0.00 0.00 179.25 180.28 1h3g h ARG 557 N 0.91 0.43 -0.56 0.00 2.43 -1.95 -2.44 114.38 113.19 1h3g h ARG 557 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1h3g h ARG 557 Cb 0.36 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1h3g h ARG 557 CO 0.00 0.28 0.00 1.19 -1.51 0.00 0.00 179.97 179.94 1h3g n PHE 558 N -4.52 1.83 0.26 2.20 3.72 -0.99 -4.59 117.46 115.36 1h3g n PHE 558 Ca 0.19 -0.71 0.10 0.00 -0.05 0.00 0.00 57.45 56.98 1h3g n PHE 558 Cb 0.66 -0.43 0.68 0.00 -0.94 0.00 0.00 39.48 39.46 1h3g n PHE 558 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1h3g h GLN 559 N 3.80 0.00 0.00 -1.08 1.08 -1.44 0.14 115.11 117.61 1h3g h GLN 559 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1h3g h GLN 559 Cb 1.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.23 1h3g h GLN 559 CO 0.40 0.11 0.00 -1.91 -0.95 0.00 0.00 178.83 176.49 1h3g n GLU 560 N -3.96 0.00 0.00 1.46 2.13 -1.26 -0.42 120.64 118.58 1h3g n GLU 560 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1h3g n GLU 560 Cb 0.20 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1h3g n GLU 560 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1h3g n LEU 562 N -0.56 0.00 -3.82 4.31 4.32 0.48 -5.12 117.00 116.61 1h3g n LEU 562 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.68 1h3g n LEU 562 Cb 0.00 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 1h3g n LEU 562 CO 0.00 0.00 -0.14 0.29 -1.22 0.00 0.00 177.39 176.32 1h3g n LYS 563 N 0.00 -1.82 -2.95 3.23 4.76 0.44 -2.01 118.16 119.80 1h3g n LYS 563 Ca 0.00 0.40 -0.22 0.00 -2.87 0.00 0.00 58.31 55.62 1h3g n LYS 563 Cb 0.00 -4.08 0.03 0.00 -1.84 0.00 0.00 35.03 29.14 1h3g n LYS 563 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h3g n GLY 564 N -1.83 -0.51 3.70 0.72 0.00 -1.26 -4.94 105.19 101.08 1h3g n GLY 564 Ca -0.17 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1h3g n GLY 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3g s ALA 565 N -3.17 3.62 0.12 4.61 0.00 -0.85 -4.88 121.76 121.22 1h3g s ALA 565 Ca 0.27 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1h3g s ALA 565 Cb -0.12 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 1h3g s ALA 565 CO 0.34 -0.81 1.60 -1.00 0.00 0.00 0.00 175.76 175.89 1h3g h PRO 566 N 7.39 0.65 0.00 0.00 0.13 -1.92 -3.36 132.00 134.90 1h3g h PRO 566 Ca -0.41 -0.18 0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1h3g h PRO 566 Cb 1.20 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1h3g h PRO 566 CO 0.89 0.71 0.45 -1.13 -0.23 0.00 0.00 178.00 178.69 1h3g n SER 567 N -4.52 -0.85 -3.49 1.44 3.41 -1.26 -1.08 113.62 107.26 1h3g n SER 567 Ca -0.01 -1.32 -0.09 0.00 -0.26 0.00 0.00 58.87 57.19 1h3g n SER 567 Cb 0.24 1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 65.53 1h3g n SER 567 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1h3g s GLY 568 N -3.12 -0.49 -0.15 5.00 0.00 -0.76 -4.86 107.32 102.93 1h3g s GLY 568 Ca 0.16 0.87 -0.16 0.00 0.00 0.00 0.00 44.72 45.59 1h3g s GLY 568 CO 0.01 0.29 0.37 0.54 0.00 0.00 0.00 173.10 174.31 1h3g s VAL 569 N -3.27 5.25 -0.25 1.40 0.11 -1.26 -0.25 120.40 122.14 1h3g s VAL 569 Ca 0.04 0.71 -0.29 0.00 -2.93 0.00 0.00 61.98 59.52 1h3g s VAL 569 Cb -0.01 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 31.11 1h3g s VAL 569 CO -0.10 0.34 1.51 -0.62 -3.33 0.00 0.00 175.10 172.91 1h3g s ASP 570 N 0.62 6.48 0.50 3.54 2.15 0.07 -3.10 116.67 126.94 1h3g s ASP 570 Ca 0.20 1.48 0.14 0.00 0.43 0.00 0.00 52.55 54.81 1h3g s ASP 570 Cb -0.14 -2.53 1.19 0.00 -0.30 0.00 0.00 42.92 41.14 1h3g s ASP 570 CO 0.07 -1.20 2.13 0.15 -0.17 0.00 0.00 175.17 176.15 1h3g h PHE 571 N 10.23 0.09 0.11 -5.34 3.57 -1.24 0.52 116.94 124.88 1h3g h PHE 571 Ca -0.31 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 1h3g h PHE 571 Cb 1.13 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1h3g h PHE 571 CO 0.90 0.06 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.92 1h3g h LEU 572 N 0.10 -0.12 0.00 0.59 3.38 -1.90 -3.36 115.31 113.99 1h3g h LEU 572 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1h3g h LEU 572 Cb -0.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1h3g h LEU 572 CO -0.00 -0.08 -0.44 0.77 0.09 0.00 0.00 178.44 178.77 1h3g h SER 573 N -0.17 0.00 0.00 -0.43 4.64 -1.93 -3.47 113.55 112.18 1h3g h SER 573 Ca -0.01 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1h3g h SER 573 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1h3g h SER 573 CO 0.02 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1h3g n GLY 574 N 1.18 1.68 3.81 -0.77 0.00 0.18 -5.03 105.19 106.24 1h3g n GLY 574 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1h3g n GLY 574 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3g s LYS 575 N -0.32 3.83 0.23 1.61 1.02 -1.24 -4.66 119.74 120.21 1h3g s LYS 575 Ca 0.00 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 56.95 1h3g s LYS 575 Cb 0.00 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 35.12 1h3g s LYS 575 CO 0.00 -0.39 0.93 0.99 -0.92 0.00 0.00 175.35 175.96 1h3g s THR 576 N -2.14 4.11 -0.11 2.17 2.01 -1.26 -0.75 115.64 119.67 1h3g s THR 576 Ca 0.65 2.07 0.03 0.00 0.31 0.00 0.00 61.69 64.75 1h3g s THR 576 Cb -0.14 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.05 1h3g s THR 576 CO 0.22 0.49 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.72 1h3g s VAL 577 N -1.12 2.02 0.10 3.82 1.01 0.66 -4.91 120.40 121.98 1h3g s VAL 577 Ca 0.41 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 1h3g s VAL 577 Cb -0.26 -1.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 1h3g s VAL 577 CO 0.32 0.55 1.32 -0.83 0.00 0.00 0.00 175.10 176.46 1h3g s GLY 578 N 0.55 2.12 -0.10 4.51 0.00 -1.26 -1.83 107.32 111.30 1h3g s GLY 578 Ca -0.14 1.03 0.14 0.00 0.00 0.00 0.00 44.72 45.75 1h3g s GLY 578 CO 0.04 2.24 1.12 1.04 0.00 0.00 0.00 173.10 177.55 1h3g n LEU 579 N 3.94 1.77 0.32 0.66 4.77 -0.24 -4.38 117.00 123.84 1h3g n LEU 579 Ca 0.11 -2.64 -0.13 0.00 -0.03 0.00 0.00 56.01 53.32 1h3g n LEU 579 Cb 0.44 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1h3g n LEU 579 CO 0.58 0.67 0.36 1.23 -1.33 0.00 0.00 177.39 178.90 1h3g h GLY 580 N 0.17 -0.88 0.00 -0.72 0.00 -1.49 -3.43 103.07 96.72 1h3g h GLY 580 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1h3g h GLY 580 CO 0.00 -0.32 0.00 -0.96 0.00 0.00 0.00 176.54 175.26 1h3g n ARG 581 N -5.08 0.11 -3.64 4.80 1.85 -1.26 -4.87 116.66 108.57 1h3g n ARG 581 Ca -0.10 -0.04 -0.11 0.00 -1.00 0.00 0.00 57.85 56.60 1h3g n ARG 581 Cb 0.33 -0.42 -0.07 0.00 -1.05 0.00 0.00 32.46 31.26 1h3g n ARG 581 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1h3g s GLU 582 N -0.03 0.63 -0.24 2.89 -1.05 -1.26 -2.32 118.70 117.32 1h3g s GLU 582 Ca 0.00 0.77 -0.11 0.00 -0.15 0.00 0.00 54.97 55.49 1h3g s GLU 582 Cb 0.00 0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 1h3g s GLU 582 CO 0.00 -0.08 0.17 -1.17 0.95 0.00 0.00 175.26 175.13 1h3g s LEU 583 N 0.39 4.12 -0.28 1.83 2.96 0.41 -4.43 118.68 123.68 1h3g s LEU 583 Ca 0.01 0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.97 1h3g s LEU 583 Cb -0.05 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1h3g s LEU 583 CO -0.05 0.06 0.10 -0.13 -1.32 0.00 0.00 176.35 175.02 1h3g s ARG 584 N 1.06 3.40 -0.14 1.98 0.52 -1.26 0.45 118.95 124.96 1h3g s ARG 584 Ca 0.08 -0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 54.63 1h3g s ARG 584 Cb -0.14 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 31.90 1h3g s ARG 584 CO 0.05 -0.33 -0.11 -0.51 0.02 0.00 0.00 175.30 174.41 1h3g s LEU 585 N 1.58 2.80 0.81 2.53 1.43 -1.26 -5.03 118.68 121.54 1h3g s LEU 585 Ca 0.05 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1h3g s LEU 585 Cb -0.16 -1.64 0.08 0.00 0.03 0.00 0.00 46.19 44.50 1h3g s LEU 585 CO 0.04 0.16 1.12 0.00 0.23 0.00 0.00 176.35 177.90 1h3g s ALA 586 N 0.38 2.02 0.62 4.21 0.00 -1.26 -4.50 121.76 123.22 1h3g s ALA 586 Ca -0.10 0.43 -0.18 0.00 0.00 0.00 0.00 51.96 52.11 1h3g s ALA 586 Cb -0.16 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1h3g s ALA 586 CO 0.05 -2.05 1.05 -2.30 0.00 0.00 0.00 175.76 172.51 1h3g n PRO 587 N -3.61 0.92 -4.29 0.00 -0.02 -1.26 -3.24 135.00 123.50 1h3g n PRO 587 Ca 0.10 0.36 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 1h3g n PRO 587 Cb 0.52 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 1h3g n PRO 587 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1h3g n LYS 588 N -1.31 -1.38 -4.61 -0.52 5.02 0.24 -4.92 118.16 110.69 1h3g n LYS 588 Ca 0.15 0.16 -0.27 0.00 -2.02 0.00 0.00 58.31 56.32 1h3g n LYS 588 Cb 0.48 -3.98 -0.10 0.00 -0.02 0.00 0.00 35.03 31.41 1h3g n LYS 588 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1h3g s SER 589 N -4.16 3.52 -0.13 4.39 1.04 -1.02 -4.71 113.70 112.63 1h3g s SER 589 Ca 0.17 -1.46 -0.09 0.00 0.48 0.00 0.00 55.95 55.05 1h3g s SER 589 Cb -0.10 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.00 1h3g s SER 589 CO 0.98 -0.61 0.33 0.54 0.98 0.00 0.00 173.24 175.47 1h3g s VAL 590 N -2.91 -0.02 0.12 5.02 0.11 -1.26 -1.03 120.40 120.42 1h3g s VAL 590 Ca 0.28 0.06 0.11 0.00 -2.93 0.00 0.00 61.98 59.50 1h3g s VAL 590 Cb 0.07 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 1h3g s VAL 590 CO 0.14 0.03 -0.27 0.68 -3.33 0.00 0.00 175.10 172.35 1h3g s VAL 591 N 0.80 2.23 -0.37 2.04 -7.23 0.09 -4.97 120.40 112.99 1h3g s VAL 591 Ca -0.05 -1.71 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1h3g s VAL 591 Cb -0.06 -1.96 0.11 0.00 0.56 0.00 0.00 36.38 35.03 1h3g s VAL 591 CO -0.06 0.12 0.14 -0.69 -0.31 0.00 0.00 175.10 174.31 1h3g s VAL 592 N -1.03 1.34 -0.22 1.32 1.01 -1.26 -1.76 120.40 119.79 1h3g s VAL 592 Ca 0.13 -2.02 -0.14 0.00 0.00 0.00 0.00 61.98 59.95 1h3g s VAL 592 Cb -0.10 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1h3g s VAL 592 CO 0.05 -0.75 0.32 -0.63 0.00 0.00 0.00 175.10 174.10 1h3g s ILE 593 N 1.00 5.25 -0.20 2.22 1.09 -1.26 -0.71 121.20 128.58 1h3g s ILE 593 Ca 0.13 0.52 -0.20 0.00 -1.10 0.00 0.00 60.65 60.00 1h3g s ILE 593 Cb -0.20 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.52 1h3g s ILE 593 CO -0.13 0.27 0.59 -1.61 -0.10 0.00 0.00 174.94 173.96 1h3g s GLU 594 N 1.36 4.20 0.15 2.79 2.02 -1.18 -4.20 118.70 123.84 1h3g s GLU 594 Ca 0.15 0.54 0.08 0.00 0.02 0.00 0.00 54.97 55.76 1h3g s GLU 594 Cb -0.15 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 1h3g s GLU 594 CO 0.07 -0.20 -0.19 -0.51 0.02 0.00 0.00 175.26 174.45 1h3g s LEU 595 N 1.80 2.41 1.06 1.80 1.43 -0.11 -4.35 118.68 122.72 1h3g s LEU 595 Ca 0.27 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1h3g s LEU 595 Cb -0.16 -0.83 0.23 0.00 0.03 0.00 0.00 46.19 45.46 1h3g s LEU 595 CO 0.10 -0.02 1.07 -2.16 0.23 0.00 0.00 176.35 175.57 1h3g s PRO 596 N -2.63 -0.13 0.40 1.29 0.04 -1.26 -0.62 135.00 132.09 1h3g s PRO 596 Ca 0.14 1.11 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 1h3g s PRO 596 Cb -0.06 -1.63 -0.09 0.00 0.04 0.00 0.00 34.50 32.76 1h3g s PRO 596 CO 0.06 -3.27 1.15 0.20 0.04 0.00 0.00 177.00 175.18 1h3g s GLY 597 N -2.61 2.85 1.02 0.56 0.00 -1.15 -3.57 107.32 104.43 1h3g s GLY 597 Ca 0.68 0.92 -0.14 0.00 0.00 0.00 0.00 44.72 46.18 1h3g s GLY 597 CO 0.62 1.43 0.56 1.04 0.00 0.00 0.00 173.10 176.74 1h3g n LEU 598 N 0.08 -0.22 -4.63 0.66 4.77 -1.26 -4.73 117.00 111.67 1h3g n LEU 598 Ca 0.04 0.16 -0.46 0.00 -0.03 0.00 0.00 56.01 55.71 1h3g n LEU 598 Cb 0.47 -1.21 -0.04 0.00 -2.33 0.00 0.00 43.42 40.31 1h3g n LEU 598 CO 0.50 -3.15 1.62 -2.65 -1.33 0.00 0.00 177.39 172.38 1h3g n PRO 599 N -2.85 2.15 0.00 3.23 -0.02 -1.26 -4.72 135.00 131.53 1h3g n PRO 599 Ca 0.06 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1h3g n PRO 599 Cb 0.55 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1h3g n PRO 599 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57