#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th9 n HIS 4 N 0.00 -2.16 -1.68 1.57 -0.00 -1.26 -5.16 115.22 106.52 1th9 n HIS 4 Ca 0.00 -1.61 -0.34 0.00 -0.00 0.00 0.00 57.72 55.77 1th9 n HIS 4 Cb 0.00 0.80 0.06 0.00 -0.00 0.00 0.00 29.99 30.86 1th9 n HIS 4 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.34 178.01 1th9 s TRP 5 N -2.98 2.35 0.00 4.41 1.48 -1.26 -4.87 118.94 118.07 1th9 s TRP 5 Ca 0.14 1.57 0.00 0.00 -1.06 0.00 0.00 56.10 56.75 1th9 s TRP 5 Cb -0.04 -3.34 0.00 0.00 -1.16 0.00 0.00 33.47 28.93 1th9 s TRP 5 CO 0.10 -2.13 0.00 0.41 -4.06 0.00 0.00 176.95 171.27 1th9 n GLY 6 N 0.03 2.17 0.14 3.67 0.00 -0.44 -5.04 105.19 105.72 1th9 n GLY 6 Ca 0.12 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.71 1th9 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1th9 n TYR 7 N 0.00 0.00 -2.17 1.61 4.02 -1.26 -3.80 117.16 115.56 1th9 n TYR 7 Ca 0.00 -0.94 -0.28 0.00 -0.01 0.00 0.00 57.90 56.67 1th9 n TYR 7 Cb 0.00 -0.15 0.16 0.00 -0.02 0.00 0.00 39.34 39.34 1th9 n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1th9 s GLY 8 N -2.74 1.78 0.44 2.72 0.00 -1.26 -4.70 107.32 103.55 1th9 s GLY 8 Ca 0.30 -1.43 0.21 0.00 0.00 0.00 0.00 44.72 43.80 1th9 s GLY 8 CO 0.02 -0.71 1.91 1.70 0.00 0.00 0.00 173.10 176.02 1th9 h LYS 9 N -1.27 0.00 -0.01 2.90 3.64 -1.98 0.82 116.57 120.68 1th9 h LYS 9 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1th9 h LYS 9 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1th9 h LYS 9 CO 0.37 0.25 -0.51 0.72 -2.27 0.00 0.00 179.45 178.01 1th9 n HIS 10 N -3.75 0.00 -1.61 1.91 8.25 -1.26 -4.53 115.22 114.23 1th9 n HIS 10 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1th9 n HIS 10 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1th9 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1th9 n ASN 11 N -0.57 0.03 -3.44 0.41 6.94 -1.20 -4.97 115.26 112.47 1th9 n ASN 11 Ca 0.06 -1.64 -0.26 0.00 -0.02 0.00 0.00 54.58 52.72 1th9 n ASN 11 Cb 0.33 -0.13 0.21 0.00 -2.36 0.00 0.00 39.78 37.83 1th9 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1th9 n GLY 12 N -0.02 -2.62 0.42 4.83 0.00 0.28 -1.33 105.19 106.76 1th9 n GLY 12 Ca 0.00 -1.51 0.27 0.00 0.00 0.00 0.00 46.02 44.78 1th9 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th9 h PRO 13 N 0.00 0.28 0.00 1.61 0.11 -1.85 0.13 132.00 132.29 1th9 h PRO 13 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1th9 h PRO 13 Cb 1.09 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1th9 h PRO 13 CO 0.24 0.19 0.00 1.05 -0.21 0.00 0.00 178.00 179.27 1th9 h GLU 14 N 0.29 0.00 0.00 1.05 9.09 -1.94 -2.83 114.58 120.25 1th9 h GLU 14 Ca 0.67 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.08 1th9 h GLU 14 Cb 1.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.94 1th9 h GLU 14 CO -0.35 0.00 -1.68 0.72 0.05 0.00 0.00 179.01 177.76 1th9 n HIS 15 N -2.73 0.00 -0.22 2.06 8.25 0.43 -4.60 115.22 118.41 1th9 n HIS 15 Ca -0.00 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.64 1th9 n HIS 15 Cb 0.18 -0.34 0.52 0.00 1.12 0.00 0.00 29.99 31.47 1th9 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1th9 h TRP 16 N 0.00 0.50 -0.03 4.41 6.55 -1.39 -2.39 115.95 123.60 1th9 h TRP 16 Ca 0.00 0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.86 1th9 h TRP 16 Cb 0.83 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 28.97 1th9 h TRP 16 CO 0.00 0.15 0.04 1.12 -1.05 0.00 0.00 178.44 178.70 1th9 h HIS 17 N 0.39 0.00 -0.43 0.49 2.07 -1.79 0.87 115.15 116.75 1th9 h HIS 17 Ca 0.44 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.87 1th9 h HIS 17 Cb 1.11 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.08 1th9 h HIS 17 CO -0.00 0.00 -0.10 0.87 -3.07 0.00 0.00 177.93 175.62 1th9 h LYS 18 N 0.00 0.77 0.00 5.12 1.57 -1.78 -2.83 116.57 119.42 1th9 h LYS 18 Ca 0.02 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.41 1th9 h LYS 18 Cb 0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1th9 h LYS 18 CO -0.00 0.85 -1.95 -0.25 -0.57 0.00 0.00 179.45 177.53 1th9 n ASP 19 N -4.17 0.20 -3.62 0.86 8.00 -0.84 -4.71 116.55 112.27 1th9 n ASP 19 Ca 0.01 0.08 -0.28 0.00 0.71 0.00 0.00 54.79 55.32 1th9 n ASP 19 Cb 0.36 1.30 -0.11 0.00 -0.02 0.00 0.00 41.12 42.64 1th9 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1th9 s PHE 20 N -3.11 2.02 0.51 1.24 0.08 0.24 -4.99 117.98 113.98 1th9 s PHE 20 Ca -0.07 -2.61 0.32 0.00 0.12 0.00 0.00 56.93 54.69 1th9 s PHE 20 Cb 0.10 -1.68 1.45 0.00 -0.57 0.00 0.00 43.02 42.32 1th9 s PHE 20 CO 0.86 -0.73 1.80 -1.35 -0.10 0.00 0.00 175.22 175.70 1th9 h PRO 21 N 5.91 0.08 0.00 0.24 0.11 -1.74 -0.29 132.00 136.31 1th9 h PRO 21 Ca 0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1th9 h PRO 21 Cb 0.87 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1th9 h PRO 21 CO 0.49 0.05 0.00 1.51 -0.21 0.00 0.00 178.00 179.85 1th9 n ILE 22 N -4.29 1.47 0.27 4.15 3.06 -1.26 -2.10 119.36 120.67 1th9 n ILE 22 Ca 0.25 0.54 0.18 0.00 -2.50 0.00 0.00 62.75 61.22 1th9 n ILE 22 Cb 1.15 -1.50 0.94 0.00 0.54 0.00 0.00 39.64 40.76 1th9 n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1th9 h ALA 23 N 2.07 1.49 -0.54 1.51 0.00 -1.37 0.32 119.26 122.74 1th9 h ALA 23 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1th9 h ALA 23 Cb 0.05 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1th9 h ALA 23 CO 0.00 -0.20 0.13 1.63 0.00 0.00 0.00 179.25 180.81 1th9 n LYS 24 N -3.46 3.28 -0.69 0.00 5.02 -0.89 -4.96 118.16 116.46 1th9 n LYS 24 Ca -0.01 -3.04 -0.22 0.00 -2.02 0.00 0.00 58.31 53.02 1th9 n LYS 24 Cb 0.25 -2.06 0.19 0.00 -0.02 0.00 0.00 35.03 33.39 1th9 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1th9 n GLY 25 N -0.37 -2.86 0.13 0.72 0.00 0.11 -4.99 105.19 97.93 1th9 n GLY 25 Ca 0.34 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 45.02 1th9 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1th9 h GLU 26 N 0.00 0.00 -1.59 1.61 4.39 -1.95 -3.38 114.58 113.65 1th9 h GLU 26 Ca -0.30 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.94 1th9 h GLU 26 Cb 0.94 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.18 1th9 h GLU 26 CO 0.20 0.00 -1.07 2.89 -1.16 0.00 0.00 179.01 179.86 1th9 n ARG 27 N -2.60 1.63 -2.76 2.33 1.85 -1.26 -4.70 116.66 111.14 1th9 n ARG 27 Ca 0.03 -3.66 -0.31 0.00 -1.00 0.00 0.00 57.85 52.91 1th9 n ARG 27 Cb 0.50 -1.66 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 1th9 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1th9 s GLN 28 N -2.96 3.83 0.19 2.89 -1.52 -1.26 -2.64 119.66 118.19 1th9 s GLN 28 Ca 0.37 0.60 0.07 0.00 -1.95 0.00 0.00 55.36 54.45 1th9 s GLN 28 Cb 0.39 -2.33 -0.05 0.00 -0.22 0.00 0.00 33.01 30.80 1th9 s GLN 28 CO -0.06 -0.08 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.65 1th9 s SER 29 N -3.08 2.41 0.94 5.90 0.01 -1.26 -4.65 113.70 113.96 1th9 s SER 29 Ca 0.53 -1.01 -0.14 0.00 1.31 0.00 0.00 55.95 56.64 1th9 s SER 29 Cb -0.10 -0.11 0.20 0.00 0.21 0.00 0.00 66.02 66.21 1th9 s SER 29 CO 0.30 -0.20 1.29 -2.16 0.41 0.00 0.00 173.24 172.88 1th9 s PRO 30 N -3.61 0.73 0.15 12.44 0.04 -1.26 -4.63 135.00 138.86 1th9 s PRO 30 Ca 0.21 -0.53 -0.01 0.00 0.04 0.00 0.00 61.00 60.71 1th9 s PRO 30 Cb -0.00 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1th9 s PRO 30 CO 0.05 -2.32 0.06 0.14 0.04 0.00 0.00 177.00 174.98 1th9 s VAL 31 N -3.80 0.17 -0.09 -0.36 -7.23 -1.26 0.12 120.40 107.95 1th9 s VAL 31 Ca 0.73 -1.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.76 1th9 s VAL 31 Cb -0.04 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1th9 s VAL 31 CO 0.52 -0.38 0.58 -0.62 -0.31 0.00 0.00 175.10 174.90 1th9 s ASP 32 N -3.09 6.83 -0.43 4.85 2.15 -1.26 -3.23 116.67 122.49 1th9 s ASP 32 Ca 0.27 1.00 -0.20 0.00 0.43 0.00 0.00 52.55 54.04 1th9 s ASP 32 Cb 0.07 -2.35 0.02 0.00 -0.30 0.00 0.00 42.92 40.37 1th9 s ASP 32 CO 0.04 -0.05 0.60 -0.63 -0.17 0.00 0.00 175.17 174.96 1th9 s ILE 33 N 0.69 4.88 -0.52 4.11 1.01 0.55 -4.94 121.20 126.98 1th9 s ILE 33 Ca 0.31 0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.74 1th9 s ILE 33 Cb -0.16 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.18 1th9 s ILE 33 CO 0.14 -0.56 0.87 -0.62 0.00 0.00 0.00 174.94 174.77 1th9 s ASP 34 N 1.96 6.34 0.62 3.58 -1.08 -1.26 -0.76 116.67 126.07 1th9 s ASP 34 Ca 0.20 -0.36 0.38 0.00 -0.52 0.00 0.00 52.55 52.26 1th9 s ASP 34 Cb -0.15 -2.41 2.03 0.00 -1.46 0.00 0.00 42.92 40.93 1th9 s ASP 34 CO 0.18 -1.12 2.25 0.71 0.52 0.00 0.00 175.17 177.71 1th9 h THR 35 N 6.00 0.16 0.00 1.71 1.35 -1.95 -1.79 112.91 118.39 1th9 h THR 35 Ca -0.26 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1th9 h THR 35 Cb 1.08 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1th9 h THR 35 CO 1.05 0.02 -0.79 1.41 -0.25 0.00 0.00 175.52 176.95 1th9 n HIS 36 N -3.28 0.17 0.27 4.73 8.25 -1.26 -3.98 115.22 120.12 1th9 n HIS 36 Ca -0.02 0.05 0.09 0.00 -0.26 0.00 0.00 57.72 57.58 1th9 n HIS 36 Cb 0.14 -0.33 -0.13 0.00 1.12 0.00 0.00 29.99 30.78 1th9 n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1th9 n THR 37 N -1.75 0.00 -2.07 1.59 -1.04 -0.90 -4.95 114.28 105.16 1th9 n THR 37 Ca 0.04 -0.31 -0.39 0.00 -2.04 0.00 0.00 64.05 61.35 1th9 n THR 37 Cb 0.39 0.39 -0.01 0.00 -1.82 0.00 0.00 70.33 69.28 1th9 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1th9 s ALA 38 N -3.08 3.26 -0.19 2.41 0.00 -0.73 -4.84 121.76 118.59 1th9 s ALA 38 Ca -0.02 1.22 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 1th9 s ALA 38 Cb 0.12 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1th9 s ALA 38 CO 0.75 -0.80 0.04 0.21 0.00 0.00 0.00 175.76 175.96 1th9 s LYS 39 N -2.23 3.82 0.02 0.00 2.20 -0.48 -4.86 119.74 118.20 1th9 s LYS 39 Ca 0.57 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 55.45 1th9 s LYS 39 Cb -0.38 -3.16 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 1th9 s LYS 39 CO 0.48 0.15 1.48 -0.47 -0.36 0.00 0.00 175.35 176.64 1th9 s TYR 40 N 0.67 2.71 -0.36 4.03 5.04 -1.26 -0.73 117.35 127.44 1th9 s TYR 40 Ca 0.02 0.66 -0.02 0.00 -2.44 0.00 0.00 57.07 55.29 1th9 s TYR 40 Cb -0.14 -3.75 0.09 0.00 0.35 0.00 0.00 41.96 38.51 1th9 s TYR 40 CO 0.02 -2.88 0.12 0.34 -1.34 0.00 0.00 175.55 171.81 1th9 s ASP 41 N 2.06 5.10 0.64 4.32 -1.08 -0.64 -4.88 116.67 122.19 1th9 s ASP 41 Ca 0.67 -1.75 0.38 0.00 -0.52 0.00 0.00 52.55 51.33 1th9 s ASP 41 Cb -0.34 -1.78 2.10 0.00 -1.46 0.00 0.00 42.92 41.45 1th9 s ASP 41 CO 0.28 -0.43 2.25 -0.65 0.52 0.00 0.00 175.17 177.14 1th9 h PRO 42 N 8.01 0.00 -0.00 4.34 0.11 -1.94 -1.57 132.00 140.95 1th9 h PRO 42 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1th9 h PRO 42 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1th9 h PRO 42 CO 0.63 0.00 -0.03 -1.13 -0.21 0.00 0.00 178.00 177.26 1th9 n SER 43 N -3.29 0.41 -4.69 -2.05 3.41 -1.26 -4.82 113.62 101.33 1th9 n SER 43 Ca -0.02 -0.89 -0.42 0.00 -0.26 0.00 0.00 58.87 57.27 1th9 n SER 43 Cb 0.15 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1th9 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1th9 s LEU 44 N -2.18 4.27 0.46 1.04 1.43 -0.59 -5.02 118.68 118.08 1th9 s LEU 44 Ca 0.39 1.71 -0.14 0.00 -1.03 0.00 0.00 54.13 55.06 1th9 s LEU 44 Cb 0.21 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.80 1th9 s LEU 44 CO 0.40 -0.54 0.89 -0.75 0.23 0.00 0.00 176.35 176.58 1th9 s LYS 45 N 2.15 3.87 0.68 1.70 2.20 -1.24 -4.99 119.74 124.11 1th9 s LYS 45 Ca 0.53 0.73 -0.16 0.00 -0.36 0.00 0.00 55.97 56.71 1th9 s LYS 45 Cb -0.22 -2.25 0.01 0.00 -1.51 0.00 0.00 37.83 33.86 1th9 s LYS 45 CO 0.20 -0.16 1.17 -2.14 -0.36 0.00 0.00 175.35 174.06 1th9 s PRO 46 N -3.97 2.49 0.42 4.03 0.02 -1.26 -2.74 135.00 133.98 1th9 s PRO 46 Ca 0.55 1.65 -0.23 0.00 0.02 0.00 0.00 61.00 62.99 1th9 s PRO 46 Cb -0.10 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 1th9 s PRO 46 CO 0.31 -1.54 1.06 -0.51 -0.33 0.00 0.00 177.00 176.00 1th9 s LEU 47 N -4.87 4.08 -0.27 -5.54 1.43 -1.26 -2.18 118.68 110.07 1th9 s LEU 47 Ca 0.72 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.91 1th9 s LEU 47 Cb -0.26 -4.24 0.07 0.00 0.03 0.00 0.00 46.19 41.78 1th9 s LEU 47 CO 0.42 -0.59 -0.08 -0.55 0.23 0.00 0.00 176.35 175.78 1th9 s SER 48 N -1.59 4.40 -0.25 2.29 0.15 -0.21 -4.90 113.70 113.59 1th9 s SER 48 Ca 0.60 -1.46 -0.06 0.00 0.70 0.00 0.00 55.95 55.72 1th9 s SER 48 Cb -0.22 -1.50 -0.01 0.00 -1.71 0.00 0.00 66.02 62.58 1th9 s SER 48 CO 0.28 -0.22 0.03 -0.69 1.20 0.00 0.00 173.24 173.84 1th9 s VAL 49 N 1.12 3.86 -0.53 4.45 1.01 -1.26 -1.15 120.40 127.90 1th9 s VAL 49 Ca -0.06 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1th9 s VAL 49 Cb -0.20 -2.86 0.13 0.00 0.00 0.00 0.00 36.38 33.46 1th9 s VAL 49 CO -0.06 0.28 0.27 -0.44 0.00 0.00 0.00 175.10 175.15 1th9 s SER 50 N 1.53 4.39 0.00 3.32 0.01 -0.42 -4.90 113.70 117.63 1th9 s SER 50 Ca 0.05 -3.00 0.11 0.00 1.31 0.00 0.00 55.95 54.42 1th9 s SER 50 Cb -0.16 -1.66 0.27 0.00 0.21 0.00 0.00 66.02 64.68 1th9 s SER 50 CO 0.01 -0.24 1.18 -1.22 0.41 0.00 0.00 173.24 173.37 1th9 n TYR 51 N 3.14 0.37 0.14 2.43 4.01 -1.26 -1.34 117.16 124.65 1th9 n TYR 51 Ca 0.05 -0.39 0.16 0.00 -0.16 0.00 0.00 57.90 57.56 1th9 n TYR 51 Cb 0.33 -0.02 0.72 0.00 -0.31 0.00 0.00 39.34 40.06 1th9 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1th9 h ASP 52 N 2.13 0.00 -0.42 7.72 2.03 -1.91 -2.19 116.42 123.78 1th9 h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1th9 h ASP 52 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1th9 h ASP 52 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1th9 n GLN 53 N -4.23 3.37 -1.73 4.15 1.13 -1.22 -5.03 117.38 113.82 1th9 n GLN 53 Ca 0.04 -2.72 -0.42 0.00 -1.94 0.00 0.00 57.00 51.96 1th9 n GLN 53 Cb 0.37 -1.78 -0.00 0.00 0.11 0.00 0.00 30.24 28.94 1th9 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1th9 n ALA 54 N 0.29 1.69 -3.82 -1.58 0.00 -0.82 -4.62 120.51 111.65 1th9 n ALA 54 Ca 0.21 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.70 1th9 n ALA 54 Cb 0.83 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 17.81 1th9 n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1th9 s THR 55 N -1.07 1.33 0.47 0.00 2.01 -1.26 -4.91 115.64 112.20 1th9 s THR 55 Ca 0.55 -1.71 -0.20 0.00 0.31 0.00 0.00 61.69 60.63 1th9 s THR 55 Cb -0.54 -2.00 -0.09 0.00 0.01 0.00 0.00 72.50 69.89 1th9 s THR 55 CO 0.62 -0.65 1.01 -0.94 -0.69 0.00 0.00 174.62 173.97 1th9 s SER 56 N 1.38 6.55 -0.01 3.53 1.04 -1.26 -1.06 113.70 123.87 1th9 s SER 56 Ca 0.10 1.84 -0.01 0.00 0.48 0.00 0.00 55.95 58.37 1th9 s SER 56 Cb -0.18 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.38 1th9 s SER 56 CO -0.20 -0.64 -0.02 0.18 0.98 0.00 0.00 173.24 173.54 1th9 n LEU 57 N -0.87 0.22 -3.70 2.42 4.77 0.12 -4.28 117.00 115.67 1th9 n LEU 57 Ca 0.08 0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1th9 n LEU 57 Cb 0.53 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1th9 n LEU 57 CO 0.39 -0.04 0.21 -0.60 -1.33 0.00 0.00 177.39 176.01 1th9 s ARG 58 N -2.03 1.24 -0.03 3.23 3.52 -1.20 -1.91 118.95 121.77 1th9 s ARG 58 Ca -0.02 -0.82 0.06 0.00 -0.13 0.00 0.00 55.73 54.82 1th9 s ARG 58 Cb 0.01 0.49 -0.01 0.00 -1.56 0.00 0.00 34.95 33.88 1th9 s ARG 58 CO 0.03 -0.50 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.32 1th9 s ILE 59 N -3.85 1.58 0.02 4.11 2.07 -0.51 -0.07 121.20 124.57 1th9 s ILE 59 Ca 0.07 -0.84 -0.08 0.00 -1.41 0.00 0.00 60.65 58.40 1th9 s ILE 59 Cb 0.00 -1.33 -0.00 0.00 0.13 0.00 0.00 42.46 41.26 1th9 s ILE 59 CO -0.07 0.45 0.15 -1.48 -1.91 0.00 0.00 174.94 172.09 1th9 s LEU 60 N -0.29 1.53 -0.36 8.50 2.34 -0.03 -1.08 118.68 129.29 1th9 s LEU 60 Ca 0.03 -0.34 -0.12 0.00 0.06 0.00 0.00 54.13 53.76 1th9 s LEU 60 Cb -0.09 0.78 0.01 0.00 -0.56 0.00 0.00 46.19 46.32 1th9 s LEU 60 CO 0.01 -0.48 0.22 0.21 -1.06 0.00 0.00 176.35 175.24 1th9 s ASN 61 N -1.83 5.81 -0.08 1.48 3.84 -0.27 -0.43 114.94 123.45 1th9 s ASN 61 Ca -0.09 -0.77 0.19 0.00 0.21 0.00 0.00 52.86 52.40 1th9 s ASN 61 Cb -0.03 -2.06 0.69 0.00 -0.55 0.00 0.00 41.25 39.29 1th9 s ASN 61 CO -0.02 -0.33 1.59 -0.46 -2.79 0.00 0.00 177.10 175.10 1th9 n ASN 62 N 5.04 4.50 0.00 -4.21 6.94 -0.95 -0.40 115.26 126.18 1th9 n ASN 62 Ca -0.12 -2.33 0.00 0.00 -0.02 0.00 0.00 54.58 52.11 1th9 n ASN 62 Cb 0.48 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 1th9 n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1th9 n GLY 63 N 1.22 1.78 0.02 4.83 0.00 -1.26 -4.77 105.19 107.00 1th9 n GLY 63 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 1th9 n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1th9 n HIS 64 N -2.00 0.00 -3.77 1.61 -0.00 -1.26 -4.76 115.22 105.04 1th9 n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1th9 n HIS 64 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 1th9 n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1th9 n ALA 65 N -2.14 -0.67 -2.51 1.59 0.00 -1.26 -4.88 120.51 110.64 1th9 n ALA 65 Ca -0.06 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 1th9 n ALA 65 Cb 0.62 0.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.99 1th9 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1th9 s PHE 66 N -3.56 2.67 -0.05 0.00 -0.12 -1.26 -2.25 117.98 113.41 1th9 s PHE 66 Ca 0.06 -0.23 0.07 0.00 -0.05 0.00 0.00 56.93 56.77 1th9 s PHE 66 Cb -0.00 -1.63 -0.01 0.00 -0.63 0.00 0.00 43.02 40.74 1th9 s PHE 66 CO 0.00 0.13 -0.25 -1.01 -0.05 0.00 0.00 175.22 174.04 1th9 s HIS 67 N -0.63 2.42 -0.33 3.49 3.76 0.43 -4.21 115.29 120.21 1th9 s HIS 67 Ca 0.09 -0.65 -0.13 0.00 -0.15 0.00 0.00 55.06 54.22 1th9 s HIS 67 Cb -0.11 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 1th9 s HIS 67 CO 0.01 -0.17 0.28 0.08 -0.85 0.00 0.00 174.74 174.09 1th9 s VAL 68 N -0.28 5.24 -0.02 -0.90 1.01 -0.36 -0.85 120.40 124.25 1th9 s VAL 68 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1th9 s VAL 68 Cb -0.13 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1th9 s VAL 68 CO 0.03 0.00 0.19 -1.61 0.00 0.00 0.00 175.10 173.71 1th9 s GLU 69 N 1.84 3.45 0.31 2.72 2.02 0.91 -1.88 118.70 128.07 1th9 s GLU 69 Ca 0.09 -0.28 0.11 0.00 0.02 0.00 0.00 54.97 54.90 1th9 s GLU 69 Cb -0.17 -3.10 -0.05 0.00 0.10 0.00 0.00 34.13 30.90 1th9 s GLU 69 CO 0.11 0.68 -0.11 -0.06 0.02 0.00 0.00 175.26 175.90 1th9 s PHE 70 N -1.29 2.41 -0.35 1.61 0.40 -0.04 0.15 117.98 120.85 1th9 s PHE 70 Ca 0.26 -0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 1th9 s PHE 70 Cb -0.13 -1.21 0.02 0.00 0.51 0.00 0.00 43.02 42.22 1th9 s PHE 70 CO 0.17 0.63 1.07 0.34 0.70 0.00 0.00 175.22 178.13 1th9 s ASP 71 N -3.59 6.85 -0.32 1.36 2.15 -0.22 -4.85 116.67 118.04 1th9 s ASP 71 Ca 0.32 0.89 0.07 0.00 0.43 0.00 0.00 52.55 54.26 1th9 s ASP 71 Cb -0.02 -2.54 0.48 0.00 -0.30 0.00 0.00 42.92 40.54 1th9 s ASP 71 CO 0.17 -0.95 1.41 -0.90 -0.17 0.00 0.00 175.17 174.73 1th9 n ASP 72 N 7.04 3.61 -0.16 -0.34 5.75 -1.26 -4.62 116.55 126.57 1th9 n ASP 72 Ca 0.11 -3.80 0.13 0.00 -0.01 0.00 0.00 54.79 51.22 1th9 n ASP 72 Cb 0.48 -0.57 0.44 0.00 -1.03 0.00 0.00 41.12 40.43 1th9 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1th9 n SER 73 N -0.99 0.74 -3.88 -1.12 3.41 -1.26 -4.90 113.62 105.62 1th9 n SER 73 Ca 0.38 -0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 58.24 1th9 n SER 73 Cb 0.93 0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.88 1th9 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1th9 s GLN 74 N -2.58 1.32 -1.37 4.33 -0.21 -1.26 -5.05 119.66 114.83 1th9 s GLN 74 Ca 0.24 -1.07 -0.13 0.00 0.02 0.00 0.00 55.36 54.42 1th9 s GLN 74 Cb 0.19 0.45 -0.04 0.00 1.00 0.00 0.00 33.01 34.61 1th9 s GLN 74 CO 0.53 -0.53 2.43 -0.25 -2.12 0.00 0.00 175.29 175.36 1th9 n ASP 75 N -0.29 5.52 0.05 5.90 8.00 -1.26 -4.54 116.55 129.92 1th9 n ASP 75 Ca -0.07 -2.67 -0.21 0.00 0.71 0.00 0.00 54.79 52.55 1th9 n ASP 75 Cb 0.63 -1.50 -0.14 0.00 -0.02 0.00 0.00 41.12 40.08 1th9 n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1th9 h LYS 76 N 5.92 0.31 -3.86 -1.24 1.57 -1.86 -3.44 116.57 113.97 1th9 h LYS 76 Ca 0.65 -0.53 -0.56 0.00 -1.87 0.00 0.00 60.65 58.34 1th9 h LYS 76 Cb 0.47 0.20 -0.39 0.00 0.08 0.00 0.00 32.23 32.58 1th9 h LYS 76 CO 1.82 1.25 -0.77 0.00 -0.57 0.00 0.00 179.45 181.18 1th9 s ALA 77 N -2.47 1.44 0.18 3.86 0.00 -1.26 -3.44 121.76 120.06 1th9 s ALA 77 Ca -0.15 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.79 1th9 s ALA 77 Cb 0.03 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1th9 s ALA 77 CO 0.82 -1.24 -0.09 0.14 0.00 0.00 0.00 175.76 175.40 1th9 s VAL 78 N 1.65 1.25 -0.08 0.00 -7.23 -0.45 -1.08 120.40 114.46 1th9 s VAL 78 Ca -0.02 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.11 1th9 s VAL 78 Cb -0.18 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1th9 s VAL 78 CO -0.09 -0.62 -0.21 -0.22 -0.31 0.00 0.00 175.10 173.65 1th9 s LEU 79 N -3.23 1.99 0.28 1.32 2.96 0.54 -1.30 118.68 121.24 1th9 s LEU 79 Ca 0.21 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1th9 s LEU 79 Cb 0.03 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 1th9 s LEU 79 CO 0.04 0.15 0.24 -0.54 -1.32 0.00 0.00 176.35 174.91 1th9 s LYS 80 N 0.32 1.56 2.45 1.98 1.02 -0.30 -1.71 119.74 125.05 1th9 s LYS 80 Ca -0.15 -1.84 0.00 0.00 0.02 0.00 0.00 55.97 54.00 1th9 s LYS 80 Cb -0.17 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1th9 s LYS 80 CO 0.07 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 1th9 n GLY 81 N -0.48 -0.69 7.00 -3.33 0.00 -1.26 -1.05 105.19 105.38 1th9 n GLY 81 Ca 0.05 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1th9 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th9 n GLY 82 N 0.00 3.20 0.66 -0.02 0.00 -0.93 -1.38 105.19 106.72 1th9 n GLY 82 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.88 1th9 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1th9 n PRO 83 N 13.89 1.85 -3.17 1.61 -0.04 -1.26 -3.67 135.00 144.21 1th9 n PRO 83 Ca 0.00 -1.29 -0.34 0.00 -0.04 0.00 0.00 63.50 61.83 1th9 n PRO 83 Cb 0.00 -1.39 -0.06 0.00 -0.04 0.00 0.00 33.50 32.01 1th9 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1th9 s LEU 84 N -1.45 4.16 -0.26 1.53 1.43 -0.48 -5.07 118.68 118.54 1th9 s LEU 84 Ca 0.32 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.69 1th9 s LEU 84 Cb 0.17 -3.86 0.05 0.00 0.03 0.00 0.00 46.19 42.58 1th9 s LEU 84 CO 0.25 -0.11 -0.08 -1.81 0.23 0.00 0.00 176.35 174.83 1th9 s ASP 85 N -2.09 4.45 0.00 2.29 1.01 -1.26 -4.42 116.67 116.65 1th9 s ASP 85 Ca 0.50 -1.24 0.00 0.00 0.71 0.00 0.00 52.55 52.51 1th9 s ASP 85 Cb -0.12 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 42.21 1th9 s ASP 85 CO 0.19 -0.19 0.00 0.61 0.21 0.00 0.00 175.17 175.99 1th9 n GLY 86 N 4.53 -2.16 3.65 0.21 0.00 -1.26 -4.99 105.19 105.16 1th9 n GLY 86 Ca -0.15 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 1th9 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1th9 s THR 87 N -0.35 4.44 -0.13 2.61 2.01 -1.26 -4.58 115.64 118.38 1th9 s THR 87 Ca 0.00 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1th9 s THR 87 Cb 0.00 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1th9 s THR 87 CO 0.00 0.54 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.97 1th9 s TYR 88 N -0.30 2.70 -0.08 4.92 1.51 -0.70 -1.50 117.35 123.91 1th9 s TYR 88 Ca 0.07 -1.08 -0.15 0.00 -1.01 0.00 0.00 57.07 54.90 1th9 s TYR 88 Cb -0.12 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 1th9 s TYR 88 CO 0.02 -0.47 0.40 1.03 -1.11 0.00 0.00 175.55 175.42 1th9 s ARG 89 N 0.63 4.11 0.09 -0.62 0.52 -0.02 -0.34 118.95 123.33 1th9 s ARG 89 Ca -0.10 0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 55.14 1th9 s ARG 89 Cb -0.16 -3.33 -0.07 0.00 0.52 0.00 0.00 34.95 31.90 1th9 s ARG 89 CO 0.02 0.43 1.36 -1.17 0.02 0.00 0.00 175.30 175.96 1th9 s LEU 90 N -0.20 4.36 -0.07 2.53 2.96 -0.24 -1.12 118.68 126.90 1th9 s LEU 90 Ca 0.23 2.24 0.02 0.00 -0.22 0.00 0.00 54.13 56.39 1th9 s LEU 90 Cb -0.15 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 1th9 s LEU 90 CO 0.10 -0.63 -0.04 0.00 -1.32 0.00 0.00 176.35 174.45 1th9 n ILE 91 N 4.07 0.42 -3.56 6.68 3.06 -0.16 -4.56 119.36 125.31 1th9 n ILE 91 Ca 0.11 -0.19 -0.08 0.00 -2.50 0.00 0.00 62.75 60.09 1th9 n ILE 91 Cb 0.43 -0.79 -0.02 0.00 0.54 0.00 0.00 39.64 39.80 1th9 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1th9 s GLN 92 N -2.15 1.05 0.04 9.51 1.03 -1.22 -0.86 119.66 127.05 1th9 s GLN 92 Ca -0.08 -0.45 0.01 0.00 0.04 0.00 0.00 55.36 54.87 1th9 s GLN 92 Cb 0.02 0.44 -0.02 0.00 0.03 0.00 0.00 33.01 33.48 1th9 s GLN 92 CO 0.19 -0.47 -0.05 -0.59 -2.54 0.00 0.00 175.29 171.84 1th9 s PHE 93 N -3.33 0.47 0.30 9.60 -0.12 -0.79 -0.83 117.98 123.28 1th9 s PHE 93 Ca 0.06 -0.60 -0.12 0.00 -0.05 0.00 0.00 56.93 56.22 1th9 s PHE 93 Cb -0.01 -0.31 0.01 0.00 -0.63 0.00 0.00 43.02 42.08 1th9 s PHE 93 CO -0.06 -0.17 0.58 -3.38 -0.05 0.00 0.00 175.22 172.14 1th9 s HIS 94 N -1.83 0.38 0.31 3.49 -3.43 -0.74 -1.22 115.29 112.25 1th9 s HIS 94 Ca -0.10 -0.79 0.05 0.00 -0.80 0.00 0.00 55.06 53.42 1th9 s HIS 94 Cb -0.07 0.35 -0.06 0.00 -1.43 0.00 0.00 32.58 31.36 1th9 s HIS 94 CO -0.02 -1.18 0.02 -0.06 -2.00 0.00 0.00 174.74 171.50 1th9 s PHE 95 N -3.44 1.98 -0.06 0.38 0.40 -1.26 -0.77 117.98 115.21 1th9 s PHE 95 Ca 0.21 -0.86 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1th9 s PHE 95 Cb -0.02 -1.26 0.02 0.00 0.51 0.00 0.00 43.02 42.27 1th9 s PHE 95 CO 0.12 0.12 -0.04 -1.01 0.70 0.00 0.00 175.22 175.10 1th9 s HIS 96 N -3.17 0.91 0.22 0.36 3.76 -0.46 -4.74 115.29 112.17 1th9 s HIS 96 Ca 0.34 -0.31 -0.02 0.00 -0.15 0.00 0.00 55.06 54.92 1th9 s HIS 96 Cb 0.07 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 1th9 s HIS 96 CO 0.14 -0.29 0.20 1.67 -0.85 0.00 0.00 174.74 175.61 1th9 s TRP 97 N 1.32 1.10 0.50 1.40 -2.14 -1.23 -1.01 118.94 118.89 1th9 s TRP 97 Ca -0.04 -1.32 0.05 0.00 2.66 0.00 0.00 56.10 57.45 1th9 s TRP 97 Cb -0.14 -0.46 0.05 0.00 -3.10 0.00 0.00 33.47 29.82 1th9 s TRP 97 CO -0.02 -0.72 0.40 0.41 -2.66 0.00 0.00 176.95 174.36 1th9 n GLY 98 N -0.32 2.70 0.09 3.67 0.00 -1.17 -0.99 105.19 109.18 1th9 n GLY 98 Ca 0.02 -2.28 0.12 0.00 0.00 0.00 0.00 46.02 43.88 1th9 n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1th9 h SER 99 N 0.55 0.00 -4.75 1.61 4.64 -1.89 -3.38 113.55 110.32 1th9 h SER 99 Ca -0.31 -0.13 -0.21 0.00 -0.47 0.00 0.00 61.79 60.68 1th9 h SER 99 Cb 1.15 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.08 1th9 h SER 99 CO 0.48 0.06 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.05 1th9 s LEU 100 N -4.70 2.48 0.57 5.97 1.43 -1.26 -5.05 118.68 118.12 1th9 s LEU 100 Ca 0.05 -0.95 0.37 0.00 -1.03 0.00 0.00 54.13 52.57 1th9 s LEU 100 Cb 0.12 -0.03 1.83 0.00 0.03 0.00 0.00 46.19 48.14 1th9 s LEU 100 CO 0.72 -0.46 2.13 0.44 0.23 0.00 0.00 176.35 179.41 1th9 h ASP 101 N 3.19 0.00 0.10 2.29 3.32 -1.92 -2.86 116.42 120.55 1th9 h ASP 101 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1th9 h ASP 101 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1th9 h ASP 101 CO 0.62 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 1th9 n GLY 102 N -0.60 -1.02 3.42 2.75 0.00 -1.26 -3.57 105.19 104.90 1th9 n GLY 102 Ca -0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1th9 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1th9 s GLN 103 N -2.11 1.28 0.00 1.61 -2.07 -1.08 -4.69 119.66 112.60 1th9 s GLN 103 Ca 0.43 -1.12 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 1th9 s GLN 103 Cb 0.21 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.56 1th9 s GLN 103 CO 0.38 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 1th9 n GLY 104 N -0.27 2.72 3.82 2.60 0.00 -1.05 -3.05 105.19 109.95 1th9 n GLY 104 Ca -0.07 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 1th9 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1th9 s SER 105 N 0.00 5.71 -0.19 1.61 1.04 -0.57 -3.49 113.70 117.81 1th9 s SER 105 Ca 0.00 1.64 -0.16 0.00 0.48 0.00 0.00 55.95 57.91 1th9 s SER 105 Cb 0.00 -2.50 -0.11 0.00 0.10 0.00 0.00 66.02 63.51 1th9 s SER 105 CO 0.00 -1.22 -0.06 -0.62 0.98 0.00 0.00 173.24 172.32 1th9 n GLU 106 N -2.66 0.53 -2.25 4.02 1.02 -1.26 -4.83 120.64 115.21 1th9 n GLU 106 Ca 0.08 0.48 -0.32 0.00 -0.02 0.00 0.00 57.16 57.37 1th9 n GLU 106 Cb 0.53 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 30.28 1th9 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1th9 s HIS 107 N -2.40 3.23 0.13 -0.32 3.76 -1.26 -4.42 115.29 114.00 1th9 s HIS 107 Ca -0.26 1.49 0.06 0.00 -0.15 0.00 0.00 55.06 56.20 1th9 s HIS 107 Cb 0.06 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.81 1th9 s HIS 107 CO 0.43 -0.72 -0.13 0.95 -0.85 0.00 0.00 174.74 174.42 1th9 s THR 108 N -2.52 1.30 -0.25 1.30 -4.23 -1.20 -4.71 115.64 105.34 1th9 s THR 108 Ca 0.61 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 1th9 s THR 108 Cb -0.13 -1.60 0.05 0.00 1.34 0.00 0.00 72.50 72.17 1th9 s THR 108 CO 0.33 -0.49 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.11 1th9 s VAL 109 N -2.38 2.13 -1.44 2.29 1.01 -0.81 -0.33 120.40 120.87 1th9 s VAL 109 Ca 0.11 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.50 1th9 s VAL 109 Cb -0.03 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1th9 s VAL 109 CO 0.03 0.06 0.81 0.47 0.00 0.00 0.00 175.10 176.47 1th9 n ASP 110 N 4.47 -2.88 0.00 3.32 8.00 0.07 -0.71 116.55 128.82 1th9 n ASP 110 Ca -0.15 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1th9 n ASP 110 Cb 0.43 -3.84 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 1th9 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1th9 n LYS 111 N -4.49 0.00 -2.62 -1.24 4.76 -1.26 -4.99 118.16 108.33 1th9 n LYS 111 Ca -0.13 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.90 1th9 n LYS 111 Cb 0.60 -3.19 -0.03 0.00 -1.84 0.00 0.00 35.03 30.56 1th9 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1th9 s LYS 112 N -0.34 4.57 -0.04 1.97 2.20 0.11 -5.01 119.74 123.20 1th9 s LYS 112 Ca 0.00 1.55 -0.02 0.00 -0.36 0.00 0.00 55.97 57.14 1th9 s LYS 112 Cb 0.00 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1th9 s LYS 112 CO 0.00 -0.02 0.10 0.15 -0.36 0.00 0.00 175.35 175.22 1th9 s LYS 113 N 0.59 3.21 0.38 4.03 1.02 -1.26 -1.92 119.74 125.79 1th9 s LYS 113 Ca 0.52 -0.37 0.08 0.00 0.02 0.00 0.00 55.97 56.21 1th9 s LYS 113 Cb -0.25 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1th9 s LYS 113 CO 0.30 0.68 0.36 0.71 -0.92 0.00 0.00 175.35 176.49 1th9 s TYR 114 N -1.16 2.81 0.39 3.18 2.02 -1.26 -4.75 117.35 118.58 1th9 s TYR 114 Ca 0.21 -0.40 0.20 0.00 -0.37 0.00 0.00 57.07 56.71 1th9 s TYR 114 Cb -0.12 -2.04 1.10 0.00 -0.40 0.00 0.00 41.96 40.50 1th9 s TYR 114 CO 0.12 -0.02 1.96 0.00 -1.57 0.00 0.00 175.55 176.04 1th9 h ALA 115 N 1.08 1.38 -2.41 3.71 0.00 -1.45 -1.44 119.26 120.13 1th9 h ALA 115 Ca -0.43 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.45 1th9 h ALA 115 Cb 1.26 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1th9 h ALA 115 CO 0.56 0.27 0.47 0.00 0.00 0.00 0.00 179.25 180.56 1th9 s ALA 116 N -4.24 -1.60 -0.06 0.00 0.00 -1.18 -3.15 121.76 111.53 1th9 s ALA 116 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 1th9 s ALA 116 Cb 0.14 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.96 1th9 s ALA 116 CO 0.65 -1.05 0.12 -2.00 0.00 0.00 0.00 175.76 173.49 1th9 s GLU 117 N -3.23 0.07 -0.16 0.00 2.12 -0.18 -1.46 118.70 115.86 1th9 s GLU 117 Ca 0.13 0.33 -0.11 0.00 0.36 0.00 0.00 54.97 55.68 1th9 s GLU 117 Cb -0.02 -0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.14 1th9 s GLU 117 CO 0.03 -0.16 0.20 -1.17 -0.54 0.00 0.00 175.26 173.62 1th9 s LEU 118 N 1.12 4.28 -0.19 2.70 2.96 0.68 -1.35 118.68 128.88 1th9 s LEU 118 Ca -0.09 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1th9 s LEU 118 Cb -0.11 -2.21 0.03 0.00 0.50 0.00 0.00 46.19 44.39 1th9 s LEU 118 CO -0.05 0.21 -0.18 -1.00 -1.32 0.00 0.00 176.35 174.02 1th9 s HIS 119 N -0.00 2.76 -0.36 5.38 3.76 0.05 -1.17 115.29 125.71 1th9 s HIS 119 Ca 0.13 -1.70 -0.11 0.00 -0.15 0.00 0.00 55.06 53.24 1th9 s HIS 119 Cb -0.12 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.71 1th9 s HIS 119 CO 0.02 -0.80 0.20 -0.51 -0.85 0.00 0.00 174.74 172.81 1th9 s LEU 120 N 1.29 4.57 -0.19 0.89 1.43 -0.45 -1.80 118.68 124.42 1th9 s LEU 120 Ca 0.03 -0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 52.17 1th9 s LEU 120 Cb -0.14 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1th9 s LEU 120 CO -0.11 -0.33 0.36 -0.69 0.23 0.00 0.00 176.35 175.81 1th9 s VAL 121 N 1.60 5.23 0.08 -1.59 1.01 -0.01 -1.24 120.40 125.48 1th9 s VAL 121 Ca 0.03 0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.73 1th9 s VAL 121 Cb -0.18 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1th9 s VAL 121 CO 0.07 0.29 -0.18 -1.00 0.00 0.00 0.00 175.10 174.28 1th9 s HIS 122 N 1.12 1.55 0.08 5.22 3.76 -0.86 -0.99 115.29 125.17 1th9 s HIS 122 Ca 0.18 -0.42 0.09 0.00 -0.15 0.00 0.00 55.06 54.76 1th9 s HIS 122 Cb -0.14 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.64 1th9 s HIS 122 CO 0.07 0.13 -0.25 1.67 -0.85 0.00 0.00 174.74 175.51 1th9 s TRP 123 N -1.12 2.19 -0.18 1.40 1.48 -0.27 -1.12 118.94 121.32 1th9 s TRP 123 Ca 0.03 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.39 1th9 s TRP 123 Cb -0.10 -1.26 -0.04 0.00 -1.16 0.00 0.00 33.47 30.91 1th9 s TRP 123 CO 0.03 0.19 1.74 1.21 -4.06 0.00 0.00 176.95 176.06 1th9 s ASN 124 N -1.54 6.27 0.65 -2.66 3.84 0.47 -0.84 114.94 121.14 1th9 s ASN 124 Ca 0.11 1.80 0.43 0.00 0.21 0.00 0.00 52.86 55.42 1th9 s ASN 124 Cb -0.10 -2.53 2.33 0.00 -0.55 0.00 0.00 41.25 40.41 1th9 s ASN 124 CO 0.03 -1.32 2.31 0.71 -2.79 0.00 0.00 177.10 176.05 1th9 h THR 125 N 6.20 0.00 0.00 -5.21 1.35 -1.61 -1.92 112.91 111.72 1th9 h THR 125 Ca -0.37 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1th9 h THR 125 Cb 1.18 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1th9 h THR 125 CO 0.99 0.00 -0.01 0.50 -0.25 0.00 0.00 175.52 176.75 1th9 h LYS 127 N 0.00 0.00 -0.20 4.72 3.64 -1.90 -2.34 116.57 120.49 1th9 h LYS 127 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1th9 h LYS 127 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1th9 h LYS 127 CO 0.00 0.01 0.00 0.66 -2.27 0.00 0.00 179.45 177.85 1th9 n TYR 128 N -3.92 0.26 0.00 1.91 4.01 -0.72 -4.97 117.16 113.73 1th9 n TYR 128 Ca -0.03 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1th9 n TYR 128 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1th9 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1th9 n GLY 129 N 1.16 1.01 3.40 2.72 0.00 -0.88 -4.55 105.19 108.05 1th9 n GLY 129 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1th9 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1th9 s ASP 130 N 0.00 -0.26 0.20 1.61 1.47 -1.26 -5.05 116.67 113.38 1th9 s ASP 130 Ca 0.00 -0.38 -0.10 0.00 1.18 0.00 0.00 52.55 53.25 1th9 s ASP 130 Cb 0.00 0.52 0.25 0.00 -0.34 0.00 0.00 42.92 43.36 1th9 s ASP 130 CO 0.00 -0.94 1.75 0.15 0.68 0.00 0.00 175.17 176.81 1th9 h PHE 131 N 2.28 0.42 -0.96 2.11 3.57 -1.94 -1.60 116.94 120.82 1th9 h PHE 131 Ca -0.32 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.30 1th9 h PHE 131 Cb 1.26 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 1th9 h PHE 131 CO 0.33 0.13 0.61 0.78 -2.23 0.00 0.00 178.31 177.94 1th9 h GLY 132 N 0.44 1.46 1.46 2.40 0.00 -1.97 -1.91 103.07 104.96 1th9 h GLY 132 Ca 0.29 -0.42 -0.25 0.00 0.00 0.00 0.00 47.33 46.96 1th9 h GLY 132 CO -0.28 0.23 -1.05 0.50 0.00 0.00 0.00 176.54 175.94 1th9 h LYS 133 N 1.00 0.46 -0.86 4.80 1.79 -1.72 -3.32 116.57 118.73 1th9 h LYS 133 Ca 0.44 -0.55 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1th9 h LYS 133 Cb 0.36 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.14 1th9 h LYS 133 CO -0.20 1.20 0.56 0.00 -1.08 0.00 0.00 179.45 179.93 1th9 h ALA 134 N 0.60 1.38 0.00 3.86 0.00 -0.56 -2.43 119.26 122.11 1th9 h ALA 134 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1th9 h ALA 134 Cb 1.71 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1th9 h ALA 134 CO 0.19 0.57 0.00 1.33 0.00 0.00 0.00 179.25 181.34 1th9 n VAL 135 N -4.40 1.21 0.72 0.00 0.24 -0.82 -1.74 118.33 113.55 1th9 n VAL 135 Ca 0.10 0.32 0.11 0.00 -2.04 0.00 0.00 64.34 62.82 1th9 n VAL 135 Cb 0.03 -1.15 0.28 0.00 -1.47 0.00 0.00 33.84 31.53 1th9 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1th9 n GLN 136 N -1.59 2.13 -4.57 7.34 6.02 -0.91 -4.64 117.38 121.16 1th9 n GLN 136 Ca 0.02 -1.71 -0.30 0.00 -0.01 0.00 0.00 57.00 55.00 1th9 n GLN 136 Cb 0.13 -1.45 -0.12 0.00 1.02 0.00 0.00 30.24 29.82 1th9 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1th9 s GLN 137 N -1.60 1.99 0.60 -1.09 -1.52 -0.71 -5.03 119.66 112.30 1th9 s GLN 137 Ca 0.35 -1.04 0.39 0.00 -1.95 0.00 0.00 55.36 53.12 1th9 s GLN 137 Cb 0.20 -2.16 1.95 0.00 -0.22 0.00 0.00 33.01 32.78 1th9 s GLN 137 CO 0.28 0.52 2.19 -1.00 -0.25 0.00 0.00 175.29 177.03 1th9 h PRO 138 N 4.34 0.00 -0.16 2.91 0.13 -1.86 -2.43 132.00 134.94 1th9 h PRO 138 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 1th9 h PRO 138 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 1th9 h PRO 138 CO 0.47 0.00 -0.69 -0.40 -0.23 0.00 0.00 178.00 177.15 1th9 n ASP 139 N -3.04 2.14 0.08 1.44 5.75 -1.26 -4.36 116.55 117.30 1th9 n ASP 139 Ca -0.01 -3.43 -0.12 0.00 -0.01 0.00 0.00 54.79 51.22 1th9 n ASP 139 Cb 0.16 -0.45 -0.04 0.00 -1.03 0.00 0.00 41.12 39.77 1th9 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1th9 h GLY 140 N 1.30 0.36 -2.68 6.12 0.00 -1.32 -3.43 103.07 103.42 1th9 h GLY 140 Ca 0.02 -0.66 -0.53 0.00 0.00 0.00 0.00 47.33 46.16 1th9 h GLY 140 CO 0.16 0.58 -0.76 1.08 0.00 0.00 0.00 176.54 177.60 1th9 s LEU 141 N -7.59 2.53 -0.20 3.11 1.43 0.19 -0.39 118.68 117.76 1th9 s LEU 141 Ca -0.05 -0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 52.04 1th9 s LEU 141 Cb 0.09 -0.87 0.06 0.00 0.03 0.00 0.00 46.19 45.50 1th9 s LEU 141 CO 0.85 -0.05 0.07 0.00 0.23 0.00 0.00 176.35 177.45 1th9 s ALA 142 N -2.51 0.75 -0.17 4.21 0.00 -0.27 -1.16 121.76 122.60 1th9 s ALA 142 Ca 0.23 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 1th9 s ALA 142 Cb -0.04 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1th9 s ALA 142 CO 0.09 -1.23 0.00 0.08 0.00 0.00 0.00 175.76 174.70 1th9 s VAL 143 N 1.99 4.21 -0.28 0.00 1.01 -1.20 -2.02 120.40 124.11 1th9 s VAL 143 Ca 0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1th9 s VAL 143 Cb -0.17 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1th9 s VAL 143 CO -0.11 0.47 0.42 -0.22 0.00 0.00 0.00 175.10 175.66 1th9 s LEU 144 N 0.48 4.09 -0.17 3.92 2.96 -0.37 -1.62 118.68 127.98 1th9 s LEU 144 Ca -0.01 0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 54.14 1th9 s LEU 144 Cb -0.14 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1th9 s LEU 144 CO 0.02 -0.25 0.01 -0.83 -1.32 0.00 0.00 176.35 173.99 1th9 s GLY 145 N 1.63 1.82 -0.07 7.98 0.00 0.15 -1.34 107.32 117.48 1th9 s GLY 145 Ca 0.17 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.13 1th9 s GLY 145 CO 0.10 -0.02 -0.13 -0.42 0.00 0.00 0.00 173.10 172.64 1th9 s ILE 146 N 0.33 1.21 0.30 0.90 1.01 -0.32 -0.92 121.20 123.71 1th9 s ILE 146 Ca -0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 1th9 s ILE 146 Cb -0.13 -1.10 -0.09 0.00 0.01 0.00 0.00 42.46 41.14 1th9 s ILE 146 CO 0.01 0.37 0.81 -0.36 0.00 0.00 0.00 174.94 175.77 1th9 s PHE 147 N 0.73 3.52 -0.11 3.97 0.08 -1.26 -0.23 117.98 124.68 1th9 s PHE 147 Ca -0.13 1.45 0.03 0.00 0.12 0.00 0.00 56.93 58.40 1th9 s PHE 147 Cb -0.16 -2.69 -0.00 0.00 -0.57 0.00 0.00 43.02 39.60 1th9 s PHE 147 CO 0.03 0.17 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.60 1th9 s LEU 148 N -2.48 2.26 0.18 -0.37 1.02 -0.54 -0.81 118.68 117.95 1th9 s LEU 148 Ca 0.51 -0.49 0.11 0.00 0.02 0.00 0.00 54.13 54.28 1th9 s LEU 148 Cb -0.14 -1.46 -0.04 0.00 0.02 0.00 0.00 46.19 44.56 1th9 s LEU 148 CO 0.19 0.17 -0.24 -1.59 0.02 0.00 0.00 176.35 174.90 1th9 s LYS 149 N 0.31 1.53 -0.09 1.70 -2.85 -0.47 -1.98 119.74 117.89 1th9 s LYS 149 Ca -0.16 -1.48 -0.24 0.00 -1.00 0.00 0.00 55.97 53.10 1th9 s LYS 149 Cb -0.17 -1.87 -0.03 0.00 -2.06 0.00 0.00 37.83 33.69 1th9 s LYS 149 CO 0.08 0.41 0.73 0.08 0.10 0.00 0.00 175.35 176.75 1th9 s VAL 150 N -1.55 5.01 0.00 1.79 1.01 -1.26 -1.33 120.40 124.07 1th9 s VAL 150 Ca 0.20 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1th9 s VAL 150 Cb -0.08 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1th9 s VAL 150 CO 0.09 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1th9 n GLY 151 N 3.20 0.04 3.80 4.51 0.00 0.54 -4.89 105.19 112.41 1th9 n GLY 151 Ca 0.00 0.55 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 1th9 n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1th9 s SER 152 N 2.00 6.25 0.62 1.61 0.01 -1.26 -4.02 113.70 118.91 1th9 s SER 152 Ca 0.00 1.85 -0.16 0.00 1.31 0.00 0.00 55.95 58.94 1th9 s SER 152 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1th9 s SER 152 CO 0.00 -0.84 1.12 0.00 0.41 0.00 0.00 173.24 173.93 1th9 s ALA 153 N -2.19 2.54 -0.42 1.44 0.00 -1.26 -2.36 121.76 119.51 1th9 s ALA 153 Ca 0.65 0.65 -0.07 0.00 0.00 0.00 0.00 51.96 53.19 1th9 s ALA 153 Cb -0.15 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.72 1th9 s ALA 153 CO 0.25 -1.12 0.24 0.21 0.00 0.00 0.00 175.76 175.34 1th9 s LYS 154 N -3.82 2.43 0.26 0.00 2.47 -1.24 -4.80 119.74 115.03 1th9 s LYS 154 Ca 0.69 -1.59 -0.02 0.00 -1.56 0.00 0.00 55.97 53.49 1th9 s LYS 154 Cb -0.22 -3.71 0.52 0.00 -1.46 0.00 0.00 37.83 32.96 1th9 s LYS 154 CO 0.37 -1.00 1.72 -1.35 0.16 0.00 0.00 175.35 175.25 1th9 h PRO 155 N 8.30 0.42 0.00 4.03 0.11 -1.92 -1.39 132.00 141.55 1th9 h PRO 155 Ca -0.20 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1th9 h PRO 155 Cb 1.07 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1th9 h PRO 155 CO 0.75 0.28 0.00 0.41 -0.21 0.00 0.00 178.00 179.22 1th9 n GLY 156 N -1.33 -0.72 0.02 -0.55 0.00 -1.26 -1.92 105.19 99.42 1th9 n GLY 156 Ca 0.16 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1th9 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1th9 n LEU 157 N -1.50 0.39 -0.32 0.99 7.94 -0.53 -4.52 117.00 119.45 1th9 n LEU 157 Ca 0.02 -0.07 0.09 0.00 -1.11 0.00 0.00 56.01 54.93 1th9 n LEU 157 Cb 0.08 -0.02 0.29 0.00 0.53 0.00 0.00 43.42 44.29 1th9 n LEU 157 CO 0.06 0.04 1.23 -0.61 -1.11 0.00 0.00 177.39 177.00 1th9 h GLN 158 N 0.00 0.86 -0.24 1.96 5.75 -1.40 -1.04 115.11 121.00 1th9 h GLN 158 Ca 0.00 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1th9 h GLN 158 Cb 0.85 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 1th9 h GLN 158 CO 0.00 0.57 0.13 0.87 -2.65 0.00 0.00 178.83 177.74 1th9 h LYS 159 N 0.89 0.32 -0.06 1.69 1.57 -1.79 -1.12 116.57 118.07 1th9 h LYS 159 Ca 0.47 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.15 1th9 h LYS 159 Cb 0.54 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1th9 h LYS 159 CO -0.23 0.24 -0.22 0.28 -0.57 0.00 0.00 179.45 178.95 1th9 h VAL 160 N 0.33 1.44 -0.33 0.50 2.07 -1.50 -3.27 116.25 115.49 1th9 h VAL 160 Ca 0.09 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 1th9 h VAL 160 Cb 0.02 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1th9 h VAL 160 CO -0.01 0.46 0.05 -0.37 0.02 0.00 0.00 177.57 177.72 1th9 h VAL 161 N -0.26 1.17 0.00 2.57 -1.51 -1.03 -2.80 116.25 114.39 1th9 h VAL 161 Ca -0.01 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1th9 h VAL 161 Cb 0.86 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1th9 h VAL 161 CO 0.05 0.22 0.00 0.44 -1.23 0.00 0.00 177.57 177.05 1th9 h ASP 162 N 0.48 0.00 0.04 4.19 3.32 -1.26 -3.02 116.42 120.16 1th9 h ASP 162 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1th9 h ASP 162 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1th9 h ASP 162 CO 0.00 0.00 -0.58 1.33 -1.72 0.00 0.00 179.24 178.28 1th9 n VAL 163 N -2.97 0.00 0.14 -1.35 0.24 -1.06 -4.41 118.33 108.92 1th9 n VAL 163 Ca 0.01 -0.17 0.12 0.00 -2.04 0.00 0.00 64.34 62.26 1th9 n VAL 163 Cb 0.28 1.05 0.64 0.00 -1.47 0.00 0.00 33.84 34.34 1th9 n VAL 163 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1th9 h LEU 164 N 1.61 0.04 -1.98 1.34 3.38 -1.52 -1.05 115.31 117.14 1th9 h LEU 164 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1th9 h LEU 164 Cb 0.65 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1th9 h LEU 164 CO 0.00 0.03 -0.03 0.44 0.09 0.00 0.00 178.44 178.97 1th9 h ASP 165 N 0.05 0.00 1.03 -0.43 3.32 -1.80 -1.98 116.42 116.61 1th9 h ASP 165 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1th9 h ASP 165 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1th9 h ASP 165 CO -0.01 0.03 -0.02 -1.54 -1.72 0.00 0.00 179.24 175.98 1th9 n SER 166 N -4.45 0.11 -2.52 6.45 3.41 -0.40 -3.77 113.62 112.45 1th9 n SER 166 Ca -0.03 0.47 -0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1th9 n SER 166 Cb 0.12 -0.50 0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1th9 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1th9 n ILE 167 N -1.59 1.72 -0.29 -1.33 -5.35 -0.76 -4.72 119.36 107.04 1th9 n ILE 167 Ca 0.07 -3.63 -0.03 0.00 -0.27 0.00 0.00 62.75 58.89 1th9 n ILE 167 Cb 0.35 0.09 0.09 0.00 -1.74 0.00 0.00 39.64 38.43 1th9 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1th9 h LYS 168 N 2.58 0.99 -6.19 6.28 3.64 -1.62 -3.42 116.57 118.83 1th9 h LYS 168 Ca 0.08 -0.06 -0.51 0.00 -1.27 0.00 0.00 60.65 58.89 1th9 h LYS 168 Cb 1.26 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1th9 h LYS 168 CO 0.52 0.66 -0.52 0.95 -2.27 0.00 0.00 179.45 178.78 1th9 s THR 169 N -6.12 4.54 0.17 1.00 -4.23 -1.26 -0.61 115.64 109.13 1th9 s THR 169 Ca -0.13 -1.31 -0.34 0.00 -1.18 0.00 0.00 61.69 58.73 1th9 s THR 169 Cb 0.16 -3.44 -0.14 0.00 1.34 0.00 0.00 72.50 70.43 1th9 s THR 169 CO 0.78 -0.31 1.55 1.17 -0.54 0.00 0.00 174.62 177.27 1th9 n LYS 170 N -1.08 2.10 0.00 3.99 4.81 -0.32 -2.30 118.16 125.37 1th9 n LYS 170 Ca -0.08 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1th9 n LYS 170 Cb 0.57 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.12 1th9 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1th9 n GLY 171 N 3.20 3.15 3.77 3.14 0.00 0.47 -4.49 105.19 114.43 1th9 n GLY 171 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1th9 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1th9 s LYS 172 N -0.57 4.26 0.07 1.61 -0.14 -0.97 -4.84 119.74 119.16 1th9 s LYS 172 Ca 0.00 1.80 -0.04 0.00 -1.36 0.00 0.00 55.97 56.36 1th9 s LYS 172 Cb 0.00 -2.82 -0.02 0.00 -1.68 0.00 0.00 37.83 33.31 1th9 s LYS 172 CO 0.00 -0.13 0.07 -1.54 -0.76 0.00 0.00 175.35 172.98 1th9 s SER 173 N -1.10 0.33 0.04 2.83 1.04 -1.26 -1.12 113.70 114.46 1th9 s SER 173 Ca 0.53 -0.87 -0.18 0.00 0.48 0.00 0.00 55.95 55.91 1th9 s SER 173 Cb -0.30 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.12 1th9 s SER 173 CO 0.38 -0.66 0.42 0.00 0.98 0.00 0.00 173.24 174.36 1th9 s ALA 174 N -3.90 -1.02 0.34 5.32 0.00 -0.24 -4.95 121.76 117.30 1th9 s ALA 174 Ca 0.07 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 1th9 s ALA 174 Cb 0.07 0.32 -0.11 0.00 0.00 0.00 0.00 23.12 23.40 1th9 s ALA 174 CO -0.10 -0.44 1.43 -0.51 0.00 0.00 0.00 175.76 176.14 1th9 s ASP 175 N -1.94 6.53 -0.45 0.00 1.01 -1.26 -1.42 116.67 119.14 1th9 s ASP 175 Ca -0.06 2.87 0.06 0.00 0.71 0.00 0.00 52.55 56.12 1th9 s ASP 175 Cb -0.01 -2.65 0.19 0.00 1.01 0.00 0.00 42.92 41.45 1th9 s ASP 175 CO -0.02 -0.74 0.52 0.33 0.21 0.00 0.00 175.17 175.48 1th9 n PHE 176 N 0.98 -2.08 -3.74 4.23 7.35 -0.80 -4.75 117.46 118.65 1th9 n PHE 176 Ca 0.02 -2.54 -0.20 0.00 -0.76 0.00 0.00 57.45 53.97 1th9 n PHE 176 Cb 0.40 0.73 -0.01 0.00 0.35 0.00 0.00 39.48 40.95 1th9 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1th9 s THR 177 N 0.29 4.78 -1.49 -2.13 -4.23 -1.26 -3.30 115.64 108.29 1th9 s THR 177 Ca 0.32 -0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 59.80 1th9 s THR 177 Cb 0.05 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.23 1th9 s THR 177 CO -0.14 -0.27 0.68 0.59 -0.54 0.00 0.00 174.62 174.94 1th9 n ASN 178 N -1.52 -5.72 -4.73 3.99 4.13 -1.26 -4.97 115.26 105.18 1th9 n ASN 178 Ca -0.05 -0.36 -0.36 0.00 1.68 0.00 0.00 54.58 55.49 1th9 n ASN 178 Cb 0.57 -4.61 -0.07 0.00 -1.54 0.00 0.00 39.78 34.13 1th9 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1th9 s PHE 179 N -3.16 3.46 -0.41 3.10 5.36 -1.26 -5.03 117.98 120.04 1th9 s PHE 179 Ca 0.37 0.61 -0.15 0.00 -0.96 0.00 0.00 56.93 56.81 1th9 s PHE 179 Cb -0.17 -2.35 0.02 0.00 -0.34 0.00 0.00 43.02 40.18 1th9 s PHE 179 CO 0.46 0.23 0.30 0.34 -1.46 0.00 0.00 175.22 175.09 1th9 s ASP 180 N 0.48 6.09 0.06 6.13 -1.08 -1.26 -4.50 116.67 122.59 1th9 s ASP 180 Ca 0.17 -0.93 0.13 0.00 -0.52 0.00 0.00 52.55 51.40 1th9 s ASP 180 Cb -0.13 -2.15 0.55 0.00 -1.46 0.00 0.00 42.92 39.72 1th9 s ASP 180 CO 0.04 -0.46 1.40 -0.81 0.52 0.00 0.00 175.17 175.86 1th9 n PRO 181 N 5.15 0.04 0.26 4.34 -0.04 -1.26 -2.66 135.00 140.83 1th9 n PRO 181 Ca -0.11 0.36 0.18 0.00 -0.04 0.00 0.00 63.50 63.89 1th9 n PRO 181 Cb 0.47 -1.58 0.82 0.00 -0.04 0.00 0.00 33.50 33.17 1th9 n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1th9 h ARG 182 N 0.00 0.00 -0.01 0.54 3.08 -1.92 -2.12 114.38 113.94 1th9 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1th9 h ARG 182 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1th9 h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1th9 n GLY 183 N -0.48 -0.94 0.39 0.04 0.00 -1.09 -3.13 105.19 99.98 1th9 n GLY 183 Ca -0.01 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1th9 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1th9 n LEU 184 N -0.74 1.70 -4.83 0.99 4.77 -0.80 -4.41 117.00 113.69 1th9 n LEU 184 Ca 0.14 -0.88 -0.36 0.00 -0.03 0.00 0.00 56.01 54.88 1th9 n LEU 184 Cb 0.08 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1th9 n LEU 184 CO 0.11 0.32 0.28 -0.76 -1.33 0.00 0.00 177.39 176.01 1th9 s LEU 185 N -1.42 4.38 0.92 2.23 1.43 -1.18 -4.94 118.68 120.09 1th9 s LEU 185 Ca 0.12 1.19 -0.14 0.00 -1.03 0.00 0.00 54.13 54.27 1th9 s LEU 185 Cb 0.10 -3.26 0.15 0.00 0.03 0.00 0.00 46.19 43.21 1th9 s LEU 185 CO 0.23 0.12 1.23 -2.16 0.23 0.00 0.00 176.35 176.00 1th9 s PRO 186 N -1.79 1.04 0.11 1.29 0.04 -1.26 -4.98 135.00 129.46 1th9 s PRO 186 Ca 0.37 -0.09 -0.17 0.00 0.04 0.00 0.00 61.00 61.15 1th9 s PRO 186 Cb -0.16 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1th9 s PRO 186 CO 0.20 -2.19 1.62 1.49 0.04 0.00 0.00 177.00 178.16 1th9 h GLU 187 N -1.49 0.53 -6.03 4.56 4.81 -1.92 -3.44 114.58 111.60 1th9 h GLU 187 Ca -0.46 -0.12 -0.60 0.00 -0.13 0.00 0.00 59.36 58.05 1th9 h GLU 187 Cb 1.29 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1th9 h GLU 187 CO 0.51 0.57 -0.35 0.45 -0.73 0.00 0.00 179.01 179.46 1th9 s SER 188 N -5.87 6.49 -0.15 1.04 0.15 -1.26 -5.00 113.70 109.09 1th9 s SER 188 Ca -0.13 0.56 0.16 0.00 0.70 0.00 0.00 55.95 57.24 1th9 s SER 188 Cb 0.09 -2.08 0.53 0.00 -1.71 0.00 0.00 66.02 62.85 1th9 s SER 188 CO 0.75 0.15 1.44 0.18 1.20 0.00 0.00 173.24 176.96 1th9 n LEU 189 N 0.58 3.94 -4.76 3.45 4.77 -1.26 -4.74 117.00 118.98 1th9 n LEU 189 Ca -0.07 -2.83 -0.39 0.00 -0.03 0.00 0.00 56.01 52.69 1th9 n LEU 189 Cb 0.52 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1th9 n LEU 189 CO 0.46 0.68 1.04 -1.81 -1.33 0.00 0.00 177.39 176.43 1th9 s ASP 190 N -1.65 5.69 0.27 -1.43 1.01 -1.26 -4.77 116.67 114.53 1th9 s ASP 190 Ca 0.41 2.87 -0.11 0.00 0.71 0.00 0.00 52.55 56.43 1th9 s ASP 190 Cb 0.31 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.60 1th9 s ASP 190 CO 0.11 -1.30 0.49 -0.72 0.21 0.00 0.00 175.17 173.96 1th9 s TYR 191 N -1.23 0.49 0.09 4.23 -0.85 -1.26 -1.75 117.35 117.06 1th9 s TYR 191 Ca 0.64 -0.85 0.09 0.00 -0.52 0.00 0.00 57.07 56.43 1th9 s TYR 191 Cb -0.43 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 1th9 s TYR 191 CO 0.53 -1.04 -0.20 -1.58 -1.52 0.00 0.00 175.55 171.74 1th9 s TRP 192 N -3.75 2.48 -0.00 -3.49 0.51 -0.45 -0.77 118.94 113.47 1th9 s TRP 192 Ca 0.24 -0.30 -0.05 0.00 -2.12 0.00 0.00 56.10 53.87 1th9 s TRP 192 Cb -0.01 -1.37 -0.00 0.00 -0.81 0.00 0.00 33.47 31.28 1th9 s TRP 192 CO 0.11 0.31 0.09 0.99 -0.51 0.00 0.00 176.95 177.94 1th9 s THR 193 N -1.02 0.07 0.20 2.01 2.01 0.11 -1.72 115.64 117.30 1th9 s THR 193 Ca 0.16 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.35 1th9 s THR 193 Cb -0.10 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 72.10 1th9 s THR 193 CO 0.07 -0.34 0.55 -0.72 -0.69 0.00 0.00 174.62 173.49 1th9 s TYR 194 N -1.14 -0.19 -0.11 4.92 1.13 -1.00 -1.71 117.35 119.25 1th9 s TYR 194 Ca -0.12 -0.15 -0.23 0.00 -1.41 0.00 0.00 57.07 55.16 1th9 s TYR 194 Cb -0.07 0.45 -0.03 0.00 -1.10 0.00 0.00 41.96 41.20 1th9 s TYR 194 CO 0.01 -0.94 0.69 -1.25 -2.51 0.00 0.00 175.55 171.55 1th9 s PRO 195 N -3.86 4.36 0.00 -3.49 0.04 -1.26 -0.95 135.00 129.85 1th9 s PRO 195 Ca 0.08 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1th9 s PRO 195 Cb -0.01 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1th9 s PRO 195 CO -0.04 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1th9 n GLY 196 N 3.31 4.83 3.32 0.56 0.00 0.11 -4.84 105.19 112.48 1th9 n GLY 196 Ca -0.01 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1th9 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1th9 s SER 197 N 1.32 1.86 0.33 1.61 1.04 -1.08 -2.51 113.70 116.27 1th9 s SER 197 Ca 0.00 -1.75 -0.27 0.00 0.48 0.00 0.00 55.95 54.41 1th9 s SER 197 Cb 0.00 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.59 1th9 s SER 197 CO 0.00 -1.05 1.04 -0.76 0.98 0.00 0.00 173.24 173.46 1th9 s LEU 198 N -3.41 4.37 0.00 2.42 1.43 -0.54 -4.50 118.68 118.45 1th9 s LEU 198 Ca 0.38 2.09 0.21 0.00 -1.03 0.00 0.00 54.13 55.77 1th9 s LEU 198 Cb 0.02 -3.90 0.62 0.00 0.03 0.00 0.00 46.19 42.96 1th9 s LEU 198 CO 0.25 -0.24 1.49 0.35 0.23 0.00 0.00 176.35 178.43 1th9 n THR 199 N 0.63 0.31 -4.23 5.49 -2.24 -1.26 -4.31 114.28 108.66 1th9 n THR 199 Ca 0.02 -0.47 -0.19 0.00 -2.27 0.00 0.00 64.05 61.13 1th9 n THR 199 Cb 0.48 0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 69.15 1th9 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1th9 s THR 200 N -1.69 1.34 0.55 4.28 -4.23 -1.26 -4.75 115.64 109.88 1th9 s THR 200 Ca 0.34 -1.61 -0.20 0.00 -1.18 0.00 0.00 61.69 59.04 1th9 s THR 200 Cb 0.19 -1.44 -0.07 0.00 1.34 0.00 0.00 72.50 72.52 1th9 s THR 200 CO 0.27 -0.33 0.88 -2.65 -0.54 0.00 0.00 174.62 172.25 1th9 n PRO 201 N 0.75 0.93 0.00 3.99 -0.02 -1.26 -1.11 135.00 138.28 1th9 n PRO 201 Ca -0.17 0.35 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1th9 n PRO 201 Cb 0.56 -2.03 0.28 0.00 -0.02 0.00 0.00 33.50 32.28 1th9 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1th9 n PRO 202 N -0.50 0.42 -2.46 0.52 -0.04 -1.26 -4.99 135.00 126.69 1th9 n PRO 202 Ca 0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 1th9 n PRO 202 Cb 0.45 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 1th9 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1th9 n LEU 203 N -0.85 -1.62 -4.77 1.53 4.77 -0.27 -4.91 117.00 110.88 1th9 n LEU 203 Ca 0.07 0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.71 1th9 n LEU 203 Cb 0.03 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 38.54 1th9 n LEU 203 CO 0.05 -0.16 1.08 -0.76 -1.33 0.00 0.00 177.39 176.27 1th9 s LEU 204 N -5.89 4.25 -1.22 2.23 1.43 -1.26 -4.39 118.68 113.82 1th9 s LEU 204 Ca 0.02 2.93 -0.09 0.00 -1.03 0.00 0.00 54.13 55.96 1th9 s LEU 204 Cb -0.01 -3.78 0.20 0.00 0.03 0.00 0.00 46.19 42.63 1th9 s LEU 204 CO 0.02 -0.94 1.70 -0.62 0.23 0.00 0.00 176.35 176.74 1th9 n GLU 205 N 0.23 3.77 -0.13 1.70 1.02 -1.26 -1.46 120.64 124.51 1th9 n GLU 205 Ca 0.03 -3.83 0.02 0.00 -0.02 0.00 0.00 57.16 53.35 1th9 n GLU 205 Cb 0.41 -2.84 0.03 0.00 -0.02 0.00 0.00 31.44 29.02 1th9 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1th9 s VAL 207 N -0.93 3.61 -0.52 0.00 1.01 -1.04 -0.63 120.40 121.89 1th9 s VAL 207 Ca 0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1th9 s VAL 207 Cb 0.06 -2.49 0.13 0.00 0.00 0.00 0.00 36.38 34.09 1th9 s VAL 207 CO 0.01 0.58 0.42 -0.89 0.00 0.00 0.00 175.10 175.21 1th9 s THR 208 N -0.53 4.54 0.19 3.92 2.01 -0.31 0.05 115.64 125.51 1th9 s THR 208 Ca 0.08 -1.82 -0.30 0.00 0.31 0.00 0.00 61.69 59.96 1th9 s THR 208 Cb -0.12 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 1th9 s THR 208 CO 0.02 -0.82 1.16 0.26 -0.69 0.00 0.00 174.62 174.55 1th9 s TRP 209 N 1.27 3.48 -0.36 4.92 0.52 -0.12 -3.22 118.94 125.44 1th9 s TRP 209 Ca 0.06 1.50 0.02 0.00 0.02 0.00 0.00 56.10 57.69 1th9 s TRP 209 Cb -0.26 -3.38 0.11 0.00 -1.15 0.00 0.00 33.47 28.79 1th9 s TRP 209 CO -0.00 -0.99 0.12 0.42 0.02 0.00 0.00 176.95 176.52 1th9 s ILE 210 N -0.20 1.51 -0.26 2.03 1.01 -0.64 -2.37 121.20 122.28 1th9 s ILE 210 Ca 0.51 -2.04 -0.10 0.00 0.00 0.00 0.00 60.65 59.02 1th9 s ILE 210 Cb -0.32 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1th9 s ILE 210 CO 0.37 -0.70 0.16 -0.69 0.00 0.00 0.00 174.94 174.07 1th9 s VAL 211 N 1.03 5.09 0.28 2.92 1.01 -0.70 -0.67 120.40 129.36 1th9 s VAL 211 Ca 0.12 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1th9 s VAL 211 Cb -0.20 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1th9 s VAL 211 CO -0.13 0.29 1.09 -0.76 0.00 0.00 0.00 175.10 175.58 1th9 s LEU 212 N 1.58 4.54 0.17 3.92 1.43 -0.10 -1.34 118.68 128.87 1th9 s LEU 212 Ca 0.07 2.25 -0.08 0.00 -1.03 0.00 0.00 54.13 55.33 1th9 s LEU 212 Cb -0.15 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.44 1th9 s LEU 212 CO 0.08 -0.15 1.51 0.50 0.23 0.00 0.00 176.35 178.52 1th9 h LYS 213 N 3.76 0.83 -5.58 1.70 3.64 -1.68 -3.43 116.57 115.81 1th9 h LYS 213 Ca -0.47 -0.44 -0.61 0.00 -1.27 0.00 0.00 60.65 57.87 1th9 h LYS 213 Cb 1.21 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.94 1th9 h LYS 213 CO 0.67 1.07 0.23 -2.00 -2.27 0.00 0.00 179.45 177.15 1th9 s GLU 214 N -4.34 4.13 0.67 1.90 2.12 -1.26 -5.02 118.70 116.89 1th9 s GLU 214 Ca -0.10 0.64 -0.10 0.00 0.36 0.00 0.00 54.97 55.77 1th9 s GLU 214 Cb 0.11 -3.64 0.01 0.00 0.26 0.00 0.00 34.13 30.87 1th9 s GLU 214 CO 0.87 -0.43 1.04 -1.25 -0.54 0.00 0.00 175.26 174.95 1th9 s PRO 215 N 2.54 2.91 0.17 4.30 0.04 -1.26 -4.66 135.00 139.04 1th9 s PRO 215 Ca 0.28 0.34 0.05 0.00 0.04 0.00 0.00 61.00 61.72 1th9 s PRO 215 Cb -0.15 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1th9 s PRO 215 CO 0.08 -0.92 0.14 0.96 0.04 0.00 0.00 177.00 177.30 1th9 s ILE 216 N -3.25 4.46 -0.07 0.56 -4.36 0.01 -4.91 121.20 113.64 1th9 s ILE 216 Ca 0.57 -1.12 -0.04 0.00 -0.26 0.00 0.00 60.65 59.80 1th9 s ILE 216 Cb -0.11 -3.29 -0.04 0.00 1.25 0.00 0.00 42.46 40.27 1th9 s ILE 216 CO 0.50 -0.13 0.09 -0.44 0.24 0.00 0.00 174.94 175.19 1th9 s SER 217 N -3.17 5.86 0.10 4.36 0.01 -1.26 -1.37 113.70 118.22 1th9 s SER 217 Ca 0.31 0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.89 1th9 s SER 217 Cb -0.10 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 1th9 s SER 217 CO 0.23 0.36 -0.10 0.68 0.41 0.00 0.00 173.24 174.83 1th9 s VAL 218 N -1.05 0.92 0.51 3.43 -7.23 -0.44 -3.68 120.40 112.86 1th9 s VAL 218 Ca 0.17 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.57 1th9 s VAL 218 Cb -0.12 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1th9 s VAL 218 CO 0.07 -0.62 0.84 -0.94 -0.31 0.00 0.00 175.10 174.14 1th9 s SER 219 N -2.58 6.24 0.30 4.85 1.04 -1.17 -0.34 113.70 122.05 1th9 s SER 219 Ca 0.07 1.03 0.01 0.00 0.48 0.00 0.00 55.95 57.53 1th9 s SER 219 Cb -0.01 -2.28 0.53 0.00 0.10 0.00 0.00 66.02 64.36 1th9 s SER 219 CO -0.01 -0.65 1.90 -1.28 0.98 0.00 0.00 173.24 174.18 1th9 h SER 220 N 0.10 0.91 -0.42 7.02 0.87 -1.93 -1.47 113.55 118.64 1th9 h SER 220 Ca -0.46 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.05 1th9 h SER 220 Cb 1.20 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1th9 h SER 220 CO 0.62 0.57 0.07 -0.33 -0.53 0.00 0.00 176.83 177.23 1th9 h GLU 221 N 1.03 0.77 -0.13 2.24 3.07 -1.95 -0.73 114.58 118.88 1th9 h GLU 221 Ca 0.41 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 1th9 h GLU 221 Cb 0.25 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1th9 h GLU 221 CO -0.16 0.73 -0.08 1.96 -1.40 0.00 0.00 179.01 180.05 1th9 h GLN 222 N 0.73 0.28 0.00 2.33 4.20 -1.66 -2.95 115.11 118.03 1th9 h GLN 222 Ca 0.16 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1th9 h GLN 222 Cb 0.34 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1th9 h GLN 222 CO 0.01 0.63 -0.35 -0.39 -0.67 0.00 0.00 178.83 178.06 1th9 h VAL 223 N -0.08 1.01 -0.52 -0.54 -1.51 -1.34 -2.64 116.25 110.63 1th9 h VAL 223 Ca 0.03 -1.31 -0.03 0.00 -1.23 0.00 0.00 66.70 64.16 1th9 h VAL 223 Cb 0.56 1.76 -0.03 0.00 -2.13 0.00 0.00 31.29 31.45 1th9 h VAL 223 CO 0.02 0.34 0.21 0.25 -1.23 0.00 0.00 177.57 177.16 1th9 h LEU 224 N 0.00 0.68 -1.22 4.19 7.12 -1.04 -1.75 115.31 123.29 1th9 h LEU 224 Ca -0.00 -0.08 -0.08 0.00 0.13 0.00 0.00 57.88 57.85 1th9 h LEU 224 Cb 0.73 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1th9 h LEU 224 CO 0.05 0.61 -0.37 0.11 -0.13 0.00 0.00 178.44 178.70 1th9 h LYS 225 N 0.74 0.00 -0.82 1.25 1.57 -1.30 -2.35 116.57 115.66 1th9 h LYS 225 Ca 0.18 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1th9 h LYS 225 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1th9 h LYS 225 CO -0.02 0.37 0.44 0.74 -0.57 0.00 0.00 179.45 180.42 1th9 h PHE 226 N 0.00 1.13 0.00 -1.35 -1.00 -1.33 -2.61 116.94 111.79 1th9 h PHE 226 Ca -0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1th9 h PHE 226 Cb 0.71 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.91 1th9 h PHE 226 CO 0.00 0.79 0.00 0.54 -1.61 0.00 0.00 178.31 178.03 1th9 n ARG 227 N -4.39 0.43 0.00 1.51 1.74 -0.89 -2.69 116.66 112.37 1th9 n ARG 227 Ca 0.08 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.33 1th9 n ARG 227 Cb 0.10 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.26 1th9 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1th9 n LYS 228 N -1.11 1.02 -1.46 5.56 5.02 -0.98 -4.51 118.16 121.70 1th9 n LYS 228 Ca 0.11 -0.72 -0.30 0.00 -2.02 0.00 0.00 58.31 55.38 1th9 n LYS 228 Cb 0.09 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 33.71 1th9 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1th9 s LEU 229 N -2.48 2.61 0.04 -0.35 1.43 -1.10 -4.88 118.68 113.95 1th9 s LEU 229 Ca 0.22 1.41 0.09 0.00 -1.03 0.00 0.00 54.13 54.82 1th9 s LEU 229 Cb 0.19 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 1th9 s LEU 229 CO 0.54 -2.07 -0.25 0.20 0.23 0.00 0.00 176.35 175.00 1th9 s ASN 230 N -3.75 3.25 0.09 2.29 0.02 0.22 -0.12 114.94 116.94 1th9 s ASN 230 Ca 0.61 -0.56 -0.06 0.00 -1.02 0.00 0.00 52.86 51.83 1th9 s ASN 230 Cb -0.15 -0.34 -0.21 0.00 0.02 0.00 0.00 41.25 40.57 1th9 s ASN 230 CO 0.55 0.26 1.20 -0.26 0.02 0.00 0.00 177.10 178.87 1th9 h PHE 231 N 4.80 0.61 -4.33 2.20 0.04 -1.18 -3.35 116.94 115.73 1th9 h PHE 231 Ca -0.46 -0.39 -0.48 0.00 2.80 0.00 0.00 57.97 59.43 1th9 h PHE 231 Cb 1.14 -0.05 0.11 0.00 2.20 0.00 0.00 35.95 39.35 1th9 h PHE 231 CO 0.48 1.26 0.35 0.54 -0.60 0.00 0.00 178.31 180.34 1th9 s ASN 232 N -7.17 4.56 0.50 2.17 4.22 -1.26 -4.42 114.94 113.53 1th9 s ASN 232 Ca -0.05 1.21 -0.01 0.00 -2.14 0.00 0.00 52.86 51.87 1th9 s ASN 232 Cb 0.07 -1.93 0.01 0.00 1.28 0.00 0.00 41.25 40.68 1th9 s ASN 232 CO 0.88 -1.92 0.73 -0.83 -2.04 0.00 0.00 177.10 173.93 1th9 s GLY 233 N -4.03 1.63 0.37 0.45 0.00 -1.26 -1.17 107.32 103.30 1th9 s GLY 233 Ca 0.61 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 43.99 1th9 s GLY 233 CO 0.53 -0.84 1.45 -2.21 0.00 0.00 0.00 173.10 172.03 1th9 n GLU 234 N -2.22 2.55 -0.83 2.90 2.13 -1.26 -2.73 120.64 121.17 1th9 n GLU 234 Ca 0.03 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.75 1th9 n GLU 234 Cb 0.58 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.69 1th9 n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1th9 n GLY 235 N 0.52 0.49 3.25 8.31 0.00 -1.26 -5.06 105.19 111.44 1th9 n GLY 235 Ca 0.02 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 1th9 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1th9 s GLU 236 N -1.64 1.09 0.08 1.61 2.02 -1.11 -5.10 118.70 115.65 1th9 s GLU 236 Ca 0.00 -1.49 -0.36 0.00 0.02 0.00 0.00 54.97 53.14 1th9 s GLU 236 Cb 0.00 -0.50 -0.15 0.00 0.10 0.00 0.00 34.13 33.57 1th9 s GLU 236 CO 0.00 -0.00 1.48 -2.30 0.02 0.00 0.00 175.26 174.46 1th9 n PRO 237 N -0.22 1.56 -2.09 0.39 -0.02 -1.26 -4.85 135.00 128.49 1th9 n PRO 237 Ca -0.09 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 1th9 n PRO 237 Cb 0.62 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1th9 n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1th9 s GLU 238 N 1.05 4.23 -0.21 -0.52 2.12 -1.26 -4.77 118.70 119.33 1th9 s GLU 238 Ca 0.84 2.11 -0.00 0.00 0.36 0.00 0.00 54.97 58.28 1th9 s GLU 238 Cb -0.85 -3.70 0.06 0.00 0.26 0.00 0.00 34.13 29.90 1th9 s GLU 238 CO 0.45 -0.70 -0.04 -2.00 -0.54 0.00 0.00 175.26 172.44 1th9 s GLU 239 N 2.94 1.42 0.29 4.30 2.12 -1.26 -5.06 118.70 123.45 1th9 s GLU 239 Ca 0.69 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.93 1th9 s GLU 239 Cb -0.34 -2.39 -0.11 0.00 0.26 0.00 0.00 34.13 31.56 1th9 s GLU 239 CO 0.28 -0.57 1.46 -0.51 -0.54 0.00 0.00 175.26 175.38 1th9 s LEU 240 N 1.53 4.37 -0.93 2.70 1.43 -1.26 -0.72 118.68 125.79 1th9 s LEU 240 Ca -0.04 2.79 -0.23 0.00 -1.03 0.00 0.00 54.13 55.62 1th9 s LEU 240 Cb -0.18 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.46 1th9 s LEU 240 CO -0.07 -0.75 1.35 -0.32 0.23 0.00 0.00 176.35 176.79 1th9 s MET 241 N -0.86 3.49 0.04 1.70 -2.45 0.83 -4.62 119.30 117.43 1th9 s MET 241 Ca 0.58 -1.01 -0.01 0.00 -1.25 0.00 0.00 55.69 53.99 1th9 s MET 241 Cb -0.44 -5.01 -0.03 0.00 1.25 0.00 0.00 34.83 30.60 1th9 s MET 241 CO 0.49 -2.12 -0.02 0.14 1.05 0.00 0.00 175.02 174.55 1th9 s VAL 242 N 4.79 0.19 -1.36 10.11 -7.23 -1.26 -4.54 120.40 121.11 1th9 s VAL 242 Ca 0.41 -1.56 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 1th9 s VAL 242 Cb -0.03 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.74 1th9 s VAL 242 CO -0.04 -0.86 0.85 0.47 -0.31 0.00 0.00 175.10 175.21 1th9 n ASP 243 N 0.49 -2.66 -2.76 4.85 8.00 -0.16 -4.87 116.55 119.45 1th9 n ASP 243 Ca -0.17 -0.76 -0.32 0.00 0.71 0.00 0.00 54.79 54.25 1th9 n ASP 243 Cb 0.59 -4.23 -0.03 0.00 -0.02 0.00 0.00 41.12 37.44 1th9 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1th9 n ASN 244 N -3.01 6.92 -4.28 -2.24 6.94 -1.08 -4.91 115.26 113.61 1th9 n ASN 244 Ca -0.18 -3.34 -0.25 0.00 -0.02 0.00 0.00 54.58 50.79 1th9 n ASN 244 Cb 0.63 -1.22 -0.13 0.00 -2.36 0.00 0.00 39.78 36.70 1th9 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1th9 s TRP 245 N -2.20 1.82 -0.09 -2.53 1.48 -1.26 -4.61 118.94 111.54 1th9 s TRP 245 Ca 0.56 -0.40 -0.11 0.00 -1.06 0.00 0.00 56.10 55.09 1th9 s TRP 245 Cb 0.36 -1.02 -0.05 0.00 -1.16 0.00 0.00 33.47 31.60 1th9 s TRP 245 CO -0.24 0.18 0.24 0.50 -4.06 0.00 0.00 176.95 173.57 1th9 s ARG 246 N -1.69 3.76 0.81 3.25 3.52 -1.26 -4.96 118.95 122.37 1th9 s ARG 246 Ca 0.07 0.06 -0.10 0.00 -0.13 0.00 0.00 55.73 55.63 1th9 s ARG 246 Cb -0.10 -3.25 0.08 0.00 -1.56 0.00 0.00 34.95 30.12 1th9 s ARG 246 CO 0.04 0.64 1.10 -2.14 -0.81 0.00 0.00 175.30 174.13 1th9 s PRO 247 N -0.73 1.96 0.40 5.12 0.02 -1.26 -4.68 135.00 135.83 1th9 s PRO 247 Ca 0.17 1.23 -0.27 0.00 0.02 0.00 0.00 61.00 62.15 1th9 s PRO 247 Cb -0.14 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 1th9 s PRO 247 CO 0.06 -1.87 1.45 0.00 -0.33 0.00 0.00 177.00 176.32 1th9 s ALA 248 N -2.85 3.44 0.30 -1.55 0.00 -1.26 -4.38 121.76 115.46 1th9 s ALA 248 Ca 0.62 1.52 0.08 0.00 0.00 0.00 0.00 51.96 54.18 1th9 s ALA 248 Cb -0.18 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 1th9 s ALA 248 CO 0.56 -1.09 0.18 -0.65 0.00 0.00 0.00 175.76 174.76 1th9 s GLN 249 N -2.22 2.62 0.26 0.00 -1.52 0.12 -4.95 119.66 113.97 1th9 s GLN 249 Ca 0.56 -1.31 -0.31 0.00 -1.95 0.00 0.00 55.36 52.35 1th9 s GLN 249 Cb -0.45 -2.37 -0.12 0.00 -0.22 0.00 0.00 33.01 29.85 1th9 s GLN 249 CO 0.60 0.23 1.62 -2.30 -0.25 0.00 0.00 175.29 175.18 1th9 n PRO 250 N -1.18 2.64 0.06 2.91 -0.02 -1.26 -4.57 135.00 133.57 1th9 n PRO 250 Ca -0.05 0.94 -0.05 0.00 -2.02 0.00 0.00 63.50 62.33 1th9 n PRO 250 Cb 0.59 -2.73 0.16 0.00 -0.02 0.00 0.00 33.50 31.50 1th9 n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1th9 h LEU 251 N 5.34 0.37 0.00 2.45 5.85 -1.94 -3.44 115.31 123.94 1th9 h LEU 251 Ca -0.46 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1th9 h LEU 251 Cb 1.22 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1th9 h LEU 251 CO 0.84 0.79 0.00 0.29 -0.34 0.00 0.00 178.44 180.02 1th9 n LYS 252 N -3.99 0.00 -1.23 1.25 4.76 -1.26 -3.17 118.16 114.52 1th9 n LYS 252 Ca -0.02 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.09 1th9 n LYS 252 Cb 0.53 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.66 1th9 n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1th9 n ASN 253 N -0.63 7.96 -4.14 4.39 4.13 -1.26 -4.89 115.26 120.82 1th9 n ASN 253 Ca 0.00 -2.54 -0.16 0.00 1.68 0.00 0.00 54.58 53.55 1th9 n ASN 253 Cb 0.00 -1.52 -0.12 0.00 -1.54 0.00 0.00 39.78 36.60 1th9 n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1th9 s ARG 254 N 1.94 0.73 -0.06 3.52 0.52 -1.19 -5.13 118.95 119.28 1th9 s ARG 254 Ca 0.69 -0.90 0.05 0.00 -0.52 0.00 0.00 55.73 55.05 1th9 s ARG 254 Cb 0.21 -0.64 -0.01 0.00 0.52 0.00 0.00 34.95 35.02 1th9 s ARG 254 CO -0.05 0.14 -0.22 -1.14 0.02 0.00 0.00 175.30 174.05 1th9 s GLN 255 N -1.73 2.64 -0.19 3.54 0.74 -1.26 -5.03 119.66 118.36 1th9 s GLN 255 Ca -0.04 -0.85 -0.14 0.00 0.05 0.00 0.00 55.36 54.39 1th9 s GLN 255 Cb -0.10 -2.25 -0.05 0.00 1.10 0.00 0.00 33.01 31.72 1th9 s GLN 255 CO 0.02 0.40 0.29 0.42 -0.55 0.00 0.00 175.29 175.86 1th9 s ILE 256 N -0.19 5.29 0.08 -2.34 1.01 -1.26 -4.72 121.20 119.06 1th9 s ILE 256 Ca -0.02 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.16 1th9 s ILE 256 Cb -0.13 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1th9 s ILE 256 CO 0.03 0.34 0.07 -0.54 0.00 0.00 0.00 174.94 174.85 1th9 s LYS 257 N 0.84 2.86 0.03 2.79 1.02 -0.69 -1.39 119.74 125.20 1th9 s LYS 257 Ca 0.15 -0.70 0.09 0.00 0.02 0.00 0.00 55.97 55.53 1th9 s LYS 257 Cb -0.13 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1th9 s LYS 257 CO 0.05 0.56 -0.25 0.00 -0.92 0.00 0.00 175.35 174.79 1th9 s ALA 258 N -1.38 2.29 -2.30 5.17 0.00 0.09 0.07 121.76 125.70 1th9 s ALA 258 Ca 0.29 -1.23 0.28 0.00 0.00 0.00 0.00 51.96 51.30 1th9 s ALA 258 Cb -0.12 -0.53 1.16 0.00 0.00 0.00 0.00 23.12 23.62 1th9 s ALA 258 CO 0.22 0.54 1.80 -1.13 0.00 0.00 0.00 175.76 177.19 1th9 n SER 259 N 1.87 1.17 -4.12 0.00 3.41 0.05 -1.63 113.62 114.37 1th9 n SER 259 Ca -0.17 -1.31 -0.10 0.00 -0.26 0.00 0.00 58.87 57.04 1th9 n SER 259 Cb 0.52 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1th9 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1th9 s PHE 260 N -2.08 0.72 -1.44 7.33 -0.71 -1.26 -4.89 117.98 115.64 1th9 s PHE 260 Ca 0.37 -0.85 0.12 0.00 -1.04 0.00 0.00 56.93 55.53 1th9 s PHE 260 Cb 0.21 -0.44 0.09 0.00 -1.21 0.00 0.00 43.02 41.67 1th9 s PHE 260 CO 0.37 -0.19 0.87 0.36 -1.34 0.00 0.00 175.22 175.28