#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ha8 s ARG 5 N 0.00 4.19 0.64 0.00 1.81 -1.26 -5.03 118.95 119.30 3ha8 s ARG 5 Ca 0.00 1.71 -0.14 0.00 -1.72 0.00 0.00 55.73 55.59 3ha8 s ARG 5 Cb 0.00 -3.82 -0.01 0.00 -0.45 0.00 0.00 34.95 30.67 3ha8 s ARG 5 CO 0.00 -0.78 1.06 -1.25 -0.68 0.00 0.00 175.30 173.65 3ha8 s PRO 6 N 3.68 3.08 0.06 3.54 0.04 -1.26 -5.02 135.00 139.12 3ha8 s PRO 6 Ca 0.58 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 3ha8 s PRO 6 Cb -0.23 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3ha8 s PRO 6 CO 0.18 -1.00 0.94 0.99 0.04 0.00 0.00 177.00 178.16 3ha8 s THR 7 N -2.68 4.67 0.14 1.26 2.01 -1.26 -4.95 115.64 114.83 3ha8 s THR 7 Ca 0.62 2.01 0.02 0.00 0.31 0.00 0.00 61.69 64.65 3ha8 s THR 7 Cb -0.16 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 3ha8 s THR 7 CO 0.45 0.26 0.28 -0.36 -0.69 0.00 0.00 174.62 174.55 3ha8 s PHE 8 N 0.39 3.49 0.04 4.92 0.40 -1.26 -0.91 117.98 125.05 3ha8 s PHE 8 Ca 0.48 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.96 3ha8 s PHE 8 Cb -0.22 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 3ha8 s PHE 8 CO 0.28 0.52 -0.06 1.52 0.70 0.00 0.00 175.22 178.19 3ha8 s TYR 9 N -1.71 0.56 -0.10 0.36 -0.85 -0.14 -4.88 117.35 110.60 3ha8 s TYR 9 Ca 0.35 -0.62 -0.03 0.00 -0.52 0.00 0.00 57.07 56.25 3ha8 s TYR 9 Cb -0.11 -0.35 -0.03 0.00 0.38 0.00 0.00 41.96 41.84 3ha8 s TYR 9 CO 0.28 -0.15 0.02 1.03 -1.52 0.00 0.00 175.55 175.21 3ha8 s ARG 10 N -2.07 3.10 0.00 -3.49 0.52 -1.26 -2.34 118.95 113.40 3ha8 s ARG 10 Ca -0.07 -0.37 -0.16 0.00 -0.52 0.00 0.00 55.73 54.61 3ha8 s ARG 10 Cb -0.06 -2.87 0.03 0.00 0.52 0.00 0.00 34.95 32.57 3ha8 s ARG 10 CO -0.02 0.69 0.35 1.14 0.02 0.00 0.00 175.30 177.48 3ha8 s GLN 11 N -0.83 0.76 -0.24 3.54 -2.07 -0.41 -5.00 119.66 115.41 3ha8 s GLN 11 Ca 0.13 -0.24 -0.09 0.00 -1.82 0.00 0.00 55.36 53.34 3ha8 s GLN 11 Cb -0.12 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 3ha8 s GLN 11 CO 0.02 -0.23 0.13 -2.00 -1.32 0.00 0.00 175.29 171.90 3ha8 s GLU 12 N -1.70 3.92 -0.27 9.60 2.12 -1.26 0.18 118.70 131.29 3ha8 s GLU 12 Ca -0.11 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 54.88 3ha8 s GLU 12 Cb -0.03 -3.47 0.08 0.00 0.26 0.00 0.00 34.13 30.96 3ha8 s GLU 12 CO 0.02 -0.04 0.00 -0.51 -0.54 0.00 0.00 175.26 174.20 3ha8 s LEU 13 N 1.29 2.78 -0.31 2.70 1.43 -0.01 -4.86 118.68 121.70 3ha8 s LEU 13 Ca 0.06 -1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 51.46 3ha8 s LEU 13 Cb -0.14 -1.15 0.04 0.00 0.03 0.00 0.00 46.19 44.97 3ha8 s LEU 13 CO 0.06 -0.30 0.46 -0.46 0.23 0.00 0.00 176.35 176.33 3ha8 n ASN 14 N 4.66 -5.28 -3.82 2.29 6.94 -1.26 -3.45 115.26 115.35 3ha8 n ASN 14 Ca -0.07 -0.03 -0.30 0.00 -0.02 0.00 0.00 54.58 54.17 3ha8 n ASN 14 Cb 0.43 -1.46 -0.02 0.00 -2.36 0.00 0.00 39.78 36.38 3ha8 n ASN 14 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3ha8 n LYS 15 N 0.18 -3.05 -3.68 -3.83 4.76 -1.26 -4.96 118.16 106.33 3ha8 n LYS 15 Ca -0.06 0.37 -0.15 0.00 -2.87 0.00 0.00 58.31 55.60 3ha8 n LYS 15 Cb 0.59 -5.07 -0.14 0.00 -1.84 0.00 0.00 35.03 28.57 3ha8 n LYS 15 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3ha8 s THR 16 N -3.06 -0.26 -0.31 -0.18 2.01 -1.22 -5.13 115.64 107.48 3ha8 s THR 16 Ca 0.58 0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 3ha8 s THR 16 Cb -0.32 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 71.86 3ha8 s THR 16 CO 0.71 0.12 1.06 -0.63 -0.69 0.00 0.00 174.62 175.19 3ha8 s ILE 17 N 2.08 4.53 -0.22 1.82 -1.09 -1.26 -0.83 121.20 126.22 3ha8 s ILE 17 Ca -0.00 1.73 -0.08 0.00 -2.23 0.00 0.00 60.65 60.06 3ha8 s ILE 17 Cb -0.12 -4.40 -0.04 0.00 -1.58 0.00 0.00 42.46 36.32 3ha8 s ILE 17 CO -0.07 -0.45 0.10 0.26 -1.23 0.00 0.00 174.94 173.55 3ha8 s TRP 18 N 3.60 3.21 -0.29 3.97 0.52 0.13 -4.97 118.94 125.11 3ha8 s TRP 18 Ca 0.45 -0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.58 3ha8 s TRP 18 Cb -0.12 -2.20 0.08 0.00 -1.15 0.00 0.00 33.47 30.07 3ha8 s TRP 18 CO 0.15 -0.04 -0.04 -2.00 0.02 0.00 0.00 176.95 175.03 3ha8 s GLU 19 N 1.02 1.96 0.17 4.98 2.12 -1.26 -1.28 118.70 126.41 3ha8 s GLU 19 Ca 0.05 -1.55 0.07 0.00 0.36 0.00 0.00 54.97 53.90 3ha8 s GLU 19 Cb -0.14 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 3ha8 s GLU 19 CO 0.03 -0.72 -0.15 0.14 -0.54 0.00 0.00 175.26 174.03 3ha8 s VAL 20 N 1.03 1.60 0.61 3.70 -7.23 -0.99 -4.64 120.40 114.49 3ha8 s VAL 20 Ca -0.01 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 57.98 3ha8 s VAL 20 Cb -0.20 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 3ha8 s VAL 20 CO -0.06 -0.49 1.22 -2.65 -0.31 0.00 0.00 175.10 172.82 3ha8 n PRO 21 N 0.06 1.20 0.02 4.82 -0.02 -1.26 -0.97 135.00 138.85 3ha8 n PRO 21 Ca -0.12 0.46 0.23 0.00 -2.02 0.00 0.00 63.50 62.05 3ha8 n PRO 21 Cb 0.59 -2.45 0.71 0.00 -0.02 0.00 0.00 33.50 32.33 3ha8 n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ha8 h GLU 22 N 0.74 0.00 -0.40 -0.52 5.08 -1.36 -2.02 114.58 116.10 3ha8 h GLU 22 Ca -0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 3ha8 h GLU 22 Cb 1.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 3ha8 h GLU 22 CO 0.53 0.00 0.16 0.07 -1.00 0.00 0.00 179.01 178.78 3ha8 h ARG 23 N 0.00 0.56 -5.81 2.33 0.11 -1.90 -3.40 114.38 106.27 3ha8 h ARG 23 Ca 0.26 -0.07 -0.59 0.00 0.10 0.00 0.00 59.98 59.68 3ha8 h ARG 23 Cb 1.38 -0.11 -0.08 0.00 1.11 0.00 0.00 29.97 32.27 3ha8 h ARG 23 CO -0.00 0.47 0.41 0.71 0.10 0.00 0.00 179.97 181.66 3ha8 s TYR 24 N -5.28 3.34 0.21 4.08 1.51 -0.76 -0.89 117.35 119.57 3ha8 s TYR 24 Ca -0.08 1.14 0.07 0.00 -1.01 0.00 0.00 57.07 57.19 3ha8 s TYR 24 Cb 0.17 -3.01 -0.05 0.00 -0.11 0.00 0.00 41.96 38.95 3ha8 s TYR 24 CO 0.75 -0.34 -0.11 -0.65 -1.11 0.00 0.00 175.55 174.10 3ha8 s GLN 25 N 2.58 1.33 -1.36 -0.62 -1.52 0.14 -4.84 119.66 115.38 3ha8 s GLN 25 Ca 0.35 -1.62 -0.02 0.00 -1.95 0.00 0.00 55.36 52.12 3ha8 s GLN 25 Cb -0.16 -0.99 0.02 0.00 -0.22 0.00 0.00 33.01 31.65 3ha8 s GLN 25 CO 0.09 0.11 0.73 0.09 -0.25 0.00 0.00 175.29 176.05 3ha8 n ASN 26 N -0.40 -1.72 -4.71 5.90 3.02 -1.26 -0.44 115.26 115.65 3ha8 n ASN 26 Ca -0.08 -0.83 -0.42 0.00 -0.03 0.00 0.00 54.58 53.23 3ha8 n ASN 26 Cb 0.61 -3.94 -0.03 0.00 -0.61 0.00 0.00 39.78 35.81 3ha8 n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ha8 s LEU 27 N -6.81 4.37 -0.14 3.41 1.02 -1.26 -4.42 118.68 114.86 3ha8 s LEU 27 Ca 0.12 2.55 -0.04 0.00 0.02 0.00 0.00 54.13 56.78 3ha8 s LEU 27 Cb -0.06 -3.58 0.06 0.00 0.02 0.00 0.00 46.19 42.63 3ha8 s LEU 27 CO 0.82 -0.83 0.13 -0.55 0.02 0.00 0.00 176.35 175.93 3ha8 s SER 28 N 1.58 1.65 0.52 2.29 0.15 0.12 -4.98 113.70 115.03 3ha8 s SER 28 Ca 0.71 -0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.92 3ha8 s SER 28 Cb -0.42 0.00 -0.09 0.00 -1.71 0.00 0.00 66.02 63.80 3ha8 s SER 28 CO 0.31 -0.31 0.68 -2.65 1.20 0.00 0.00 173.24 172.47 3ha8 n PRO 29 N 5.30 0.72 0.00 5.44 -0.02 -1.26 -0.53 135.00 144.65 3ha8 n PRO 29 Ca -0.06 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3ha8 n PRO 29 Cb 0.49 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3ha8 n PRO 29 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3ha8 n VAL 30 N -1.35 0.00 -3.64 -1.45 3.14 0.03 -4.71 118.33 110.35 3ha8 n VAL 30 Ca 0.12 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.40 3ha8 n VAL 30 Cb 0.45 -0.04 -0.07 0.00 -1.06 0.00 0.00 33.84 33.12 3ha8 n VAL 30 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3ha8 s GLY 31 N -0.92 -0.57 -1.38 7.55 0.00 -1.22 -5.05 107.32 105.73 3ha8 s GLY 31 Ca 0.00 2.31 -0.15 0.00 0.00 0.00 0.00 44.72 46.88 3ha8 s GLY 31 CO 0.00 2.15 2.20 1.44 0.00 0.00 0.00 173.10 178.90 3ha8 n SER 32 N 3.64 3.78 -3.83 1.64 7.64 -1.26 -3.49 113.62 121.74 3ha8 n SER 32 Ca -0.18 -2.82 -0.30 0.00 1.01 0.00 0.00 58.87 56.59 3ha8 n SER 32 Cb 0.57 -1.60 0.25 0.00 -1.01 0.00 0.00 64.21 62.43 3ha8 n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3ha8 s GLY 33 N 3.39 1.52 0.00 0.23 0.00 -1.17 -5.01 107.32 106.28 3ha8 s GLY 33 Ca 0.48 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 44.49 3ha8 s GLY 33 CO -0.07 0.12 0.45 0.00 0.00 0.00 0.00 173.10 173.60 3ha8 n ALA 34 N -5.04 2.68 -1.63 3.20 0.00 -1.26 -4.48 120.51 113.98 3ha8 n ALA 34 Ca 0.11 -0.33 0.06 0.00 0.00 0.00 0.00 53.44 53.28 3ha8 n ALA 34 Cb 0.59 -0.23 0.11 0.00 0.00 0.00 0.00 19.45 19.92 3ha8 n ALA 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ha8 n TYR 35 N -0.52 0.00 0.00 0.00 4.01 -1.26 -5.04 117.16 114.35 3ha8 n TYR 35 Ca 0.02 -0.80 0.00 0.00 -0.16 0.00 0.00 57.90 56.96 3ha8 n TYR 35 Cb 0.13 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 3ha8 n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ha8 n GLY 36 N -0.73 2.89 3.87 2.72 0.00 -1.26 -3.60 105.19 109.07 3ha8 n GLY 36 Ca 0.11 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 3ha8 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ha8 s SER 37 N 0.00 6.10 -0.07 1.61 0.01 -1.14 -3.04 113.70 117.18 3ha8 s SER 37 Ca 0.00 0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.49 3ha8 s SER 37 Cb 0.00 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.42 3ha8 s SER 37 CO 0.00 0.18 -0.17 -0.69 0.41 0.00 0.00 173.24 172.97 3ha8 s VAL 38 N -1.45 1.47 0.03 3.43 1.01 -1.23 -1.44 120.40 122.22 3ha8 s VAL 38 Ca 0.32 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3ha8 s VAL 38 Cb -0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3ha8 s VAL 38 CO 0.25 0.43 -0.09 0.00 0.00 0.00 0.00 175.10 175.68 3ha8 s ALA 40 N -1.03 3.29 0.22 0.00 0.00 0.31 -0.35 121.76 124.21 3ha8 s ALA 40 Ca 0.18 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 3ha8 s ALA 40 Cb -0.11 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 3ha8 s ALA 40 CO 0.08 0.06 0.20 0.00 0.00 0.00 0.00 175.76 176.11 3ha8 s ALA 41 N -0.52 1.03 -0.16 0.00 0.00 0.10 -0.70 121.76 121.51 3ha8 s ALA 41 Ca 0.45 -1.62 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 3ha8 s ALA 41 Cb -0.25 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.22 3ha8 s ALA 41 CO 0.31 -0.64 -0.15 0.12 0.00 0.00 0.00 175.76 175.40 3ha8 s PHE 42 N -4.03 2.80 -0.56 0.00 5.36 0.41 -0.80 117.98 121.16 3ha8 s PHE 42 Ca 0.37 -1.10 -0.20 0.00 -0.96 0.00 0.00 56.93 55.04 3ha8 s PHE 42 Cb 0.05 -1.91 0.07 0.00 -0.34 0.00 0.00 43.02 40.89 3ha8 s PHE 42 CO 0.13 -0.52 0.75 0.34 -1.46 0.00 0.00 175.22 174.47 3ha8 s ASP 43 N 0.93 6.22 0.43 6.13 2.15 -0.47 -0.68 116.67 131.38 3ha8 s ASP 43 Ca -0.03 -0.99 0.30 0.00 0.43 0.00 0.00 52.55 52.26 3ha8 s ASP 43 Cb -0.15 -2.34 1.43 0.00 -0.30 0.00 0.00 42.92 41.56 3ha8 s ASP 43 CO -0.02 -1.09 1.91 0.71 -0.17 0.00 0.00 175.17 176.50 3ha8 h THR 44 N 5.92 0.00 0.20 1.71 1.35 -1.31 -0.31 112.91 120.47 3ha8 h THR 44 Ca -0.28 -0.20 -0.35 0.00 -0.55 0.00 0.00 66.41 65.03 3ha8 h THR 44 Cb 1.09 0.99 0.02 0.00 -1.73 0.00 0.00 68.15 68.51 3ha8 h THR 44 CO 1.06 0.00 -1.70 0.11 -0.25 0.00 0.00 175.52 174.74 3ha8 h LYS 45 N 0.00 0.43 0.00 4.72 6.56 -1.92 -3.37 116.57 122.99 3ha8 h LYS 45 Ca 0.00 -0.73 0.00 0.00 -1.06 0.00 0.00 60.65 58.86 3ha8 h LYS 45 Cb 0.24 0.27 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 3ha8 h LYS 45 CO 0.00 1.35 -1.26 0.25 -2.06 0.00 0.00 179.45 177.73 3ha8 n THR 46 N -3.63 0.05 -1.40 -0.16 -2.24 -1.15 -4.97 114.28 100.79 3ha8 n THR 46 Ca -0.23 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 3ha8 n THR 46 Cb 1.08 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 3ha8 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ha8 n GLY 47 N 1.40 1.45 3.90 3.38 0.00 -0.14 -5.02 105.19 110.16 3ha8 n GLY 47 Ca 0.01 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 3ha8 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ha8 s LEU 48 N -3.16 4.20 -0.15 0.99 1.43 -1.21 -4.93 118.68 115.85 3ha8 s LEU 48 Ca 0.00 0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 53.51 3ha8 s LEU 48 Cb 0.00 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 3ha8 s LEU 48 CO 0.00 -0.04 0.67 -0.13 0.23 0.00 0.00 176.35 177.08 3ha8 s ARG 49 N -3.01 4.31 0.16 1.70 0.52 -1.26 -1.36 118.95 120.00 3ha8 s ARG 49 Ca 0.42 0.75 0.09 0.00 -0.52 0.00 0.00 55.73 56.47 3ha8 s ARG 49 Cb -0.11 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 3ha8 s ARG 49 CO 0.26 -0.12 -0.20 0.14 0.02 0.00 0.00 175.30 175.40 3ha8 s VAL 50 N 1.49 1.89 -0.20 3.52 -7.23 0.02 -1.45 120.40 118.45 3ha8 s VAL 50 Ca 0.33 -1.87 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 3ha8 s VAL 50 Cb -0.16 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 3ha8 s VAL 50 CO 0.13 -0.24 0.10 0.00 -0.31 0.00 0.00 175.10 174.79 3ha8 s ALA 51 N -1.82 3.57 -0.13 1.32 0.00 0.62 0.01 121.76 125.33 3ha8 s ALA 51 Ca 0.15 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3ha8 s ALA 51 Cb -0.07 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.97 3ha8 s ALA 51 CO 0.07 0.15 -0.21 0.08 0.00 0.00 0.00 175.76 175.84 3ha8 s VAL 52 N 0.40 2.23 -0.12 0.00 1.01 0.53 -1.11 120.40 123.34 3ha8 s VAL 52 Ca 0.06 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3ha8 s VAL 52 Cb -0.12 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3ha8 s VAL 52 CO -0.01 0.54 -0.10 -0.75 0.00 0.00 0.00 175.10 174.78 3ha8 s LYS 53 N 0.64 3.29 -0.44 2.72 2.20 0.78 -0.51 119.74 128.43 3ha8 s LYS 53 Ca -0.11 -0.63 -0.11 0.00 -0.36 0.00 0.00 55.97 54.76 3ha8 s LYS 53 Cb -0.16 -2.67 0.08 0.00 -1.51 0.00 0.00 37.83 33.57 3ha8 s LYS 53 CO 0.02 0.32 0.31 0.21 -0.36 0.00 0.00 175.35 175.85 3ha8 s LYS 54 N 0.10 2.70 0.12 4.03 2.20 -0.52 -0.32 119.74 128.05 3ha8 s LYS 54 Ca -0.04 -1.46 -0.31 0.00 -0.36 0.00 0.00 55.97 53.80 3ha8 s LYS 54 Cb -0.14 -3.90 -0.10 0.00 -1.51 0.00 0.00 37.83 32.18 3ha8 s LYS 54 CO 0.04 -1.00 1.74 -0.51 -0.36 0.00 0.00 175.35 175.26 3ha8 s LEU 55 N 1.48 4.38 -0.05 5.43 1.43 -0.72 -2.88 118.68 127.76 3ha8 s LEU 55 Ca 0.03 2.67 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 3ha8 s LEU 55 Cb -0.24 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 3ha8 s LEU 55 CO 0.03 -0.95 0.30 -0.94 0.23 0.00 0.00 176.35 175.03 3ha8 s SER 56 N 2.31 6.64 -1.33 2.29 1.04 -1.24 -4.49 113.70 118.93 3ha8 s SER 56 Ca 0.77 0.76 -0.08 0.00 0.48 0.00 0.00 55.95 57.88 3ha8 s SER 56 Cb -0.44 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.50 3ha8 s SER 56 CO 0.34 0.36 0.51 0.54 0.98 0.00 0.00 173.24 175.96 3ha8 n ARG 57 N 1.87 -2.33 0.23 4.02 5.12 -1.26 -4.80 116.66 119.52 3ha8 n ARG 57 Ca -0.16 0.36 0.13 0.00 -1.93 0.00 0.00 57.85 56.25 3ha8 n ARG 57 Cb 0.53 -4.17 0.40 0.00 -1.16 0.00 0.00 32.46 28.06 3ha8 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3ha8 h PRO 58 N -1.92 0.00 -0.63 5.56 0.13 -1.84 -3.28 132.00 130.02 3ha8 h PRO 58 Ca -0.65 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.07 3ha8 h PRO 58 Cb 1.38 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 32.09 3ha8 h PRO 58 CO 0.58 0.10 -0.96 1.19 -0.23 0.00 0.00 178.00 178.68 3ha8 n PHE 59 N -3.17 2.07 0.09 1.56 3.01 -1.26 -3.05 117.46 116.71 3ha8 n PHE 59 Ca 0.02 -2.21 -0.03 0.00 1.01 0.00 0.00 57.45 56.23 3ha8 n PHE 59 Cb 0.45 -0.29 -0.06 0.00 -0.01 0.00 0.00 39.48 39.57 3ha8 n PHE 59 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3ha8 h GLN 60 N 2.39 0.00 -4.00 -1.08 5.75 -1.91 -3.46 115.11 112.80 3ha8 h GLN 60 Ca 0.13 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.51 3ha8 h GLN 60 Cb 1.40 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 29.83 3ha8 h GLN 60 CO 0.50 0.80 -0.32 -1.54 -2.65 0.00 0.00 178.83 175.62 3ha8 s SER 61 N -6.61 0.02 0.19 -0.69 1.04 -1.26 -5.03 113.70 101.36 3ha8 s SER 61 Ca 0.02 -1.06 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 3ha8 s SER 61 Cb 0.09 0.49 0.21 0.00 0.10 0.00 0.00 66.02 66.91 3ha8 s SER 61 CO 0.79 -0.99 1.71 0.40 0.98 0.00 0.00 173.24 176.13 3ha8 h ILE 62 N 2.44 0.68 0.15 -1.02 2.04 -1.94 0.15 117.51 120.01 3ha8 h ILE 62 Ca -0.30 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.50 3ha8 h ILE 62 Cb 1.24 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3ha8 h ILE 62 CO 0.44 0.04 -0.28 0.40 0.00 0.00 0.00 178.15 178.75 3ha8 h ILE 63 N 0.21 0.39 -0.39 -0.67 1.08 -1.96 -0.98 117.51 115.18 3ha8 h ILE 63 Ca 0.26 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.65 3ha8 h ILE 63 Cb 0.37 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 3ha8 h ILE 63 CO -0.36 0.00 -0.11 0.45 -0.69 0.00 0.00 178.15 177.44 3ha8 h HIS 64 N -0.51 0.75 -0.33 1.37 3.86 -1.80 -1.17 115.15 117.31 3ha8 h HIS 64 Ca 0.02 -0.13 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 3ha8 h HIS 64 Cb 0.53 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 3ha8 h HIS 64 CO -0.24 0.76 -0.28 0.00 0.86 0.00 0.00 177.93 179.04 3ha8 h ALA 65 N 1.26 0.89 -0.28 2.45 0.00 -0.81 0.08 119.26 122.84 3ha8 h ALA 65 Ca 0.11 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3ha8 h ALA 65 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ha8 h ALA 65 CO 0.03 0.62 -0.02 -0.22 0.00 0.00 0.00 179.25 179.67 3ha8 h LYS 66 N 0.59 0.51 -0.47 0.00 3.64 -1.00 -2.10 116.57 117.75 3ha8 h LYS 66 Ca 0.07 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3ha8 h LYS 66 Cb 0.77 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 3ha8 h LYS 66 CO 0.06 0.68 0.22 -0.09 -2.27 0.00 0.00 179.45 178.05 3ha8 h ARG 67 N 0.29 0.42 -0.49 1.90 2.43 -0.99 0.16 114.38 118.10 3ha8 h ARG 67 Ca 0.08 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3ha8 h ARG 67 Cb 0.46 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3ha8 h ARG 67 CO 0.02 0.28 0.32 1.15 -1.51 0.00 0.00 179.97 180.22 3ha8 h THR 68 N 0.44 1.10 0.09 0.20 2.02 -0.98 0.12 112.91 115.90 3ha8 h THR 68 Ca 0.21 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3ha8 h THR 68 Cb 0.14 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3ha8 h THR 68 CO -0.16 0.12 -0.05 0.22 0.37 0.00 0.00 175.52 176.02 3ha8 h TYR 69 N 0.64 -0.12 -0.11 3.16 3.20 -0.72 -1.36 116.97 121.66 3ha8 h TYR 69 Ca 0.19 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.09 3ha8 h TYR 69 Cb -0.04 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 3ha8 h TYR 69 CO -0.05 -0.06 -0.16 -0.09 -1.64 0.00 0.00 178.16 176.15 3ha8 h ARG 70 N -0.14 -0.21 -0.27 1.82 2.43 -0.50 0.38 114.38 117.90 3ha8 h ARG 70 Ca -0.01 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3ha8 h ARG 70 Cb 0.11 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.63 3ha8 h ARG 70 CO 0.02 -0.14 -0.40 1.49 -1.51 0.00 0.00 179.97 179.44 3ha8 h GLU 71 N -0.21 -0.37 -0.92 0.20 4.81 -0.64 0.16 114.58 117.60 3ha8 h GLU 71 Ca 0.09 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3ha8 h GLU 71 Cb 0.34 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 3ha8 h GLU 71 CO -0.23 -0.25 0.61 1.25 -0.73 0.00 0.00 179.01 179.66 3ha8 h LEU 72 N -0.39 1.05 -0.16 1.64 5.85 -0.93 -1.73 115.31 120.64 3ha8 h LEU 72 Ca 0.11 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3ha8 h LEU 72 Cb 0.59 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3ha8 h LEU 72 CO -0.48 0.75 0.07 0.03 -0.34 0.00 0.00 178.44 178.47 3ha8 h ARG 73 N 1.24 0.24 -0.00 1.25 2.47 -0.13 0.57 114.38 120.02 3ha8 h ARG 73 Ca 0.34 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 59.05 3ha8 h ARG 73 Cb -0.12 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.13 3ha8 h ARG 73 CO -0.08 0.32 -0.17 -0.07 0.56 0.00 0.00 179.97 180.53 3ha8 h LEU 74 N 0.11 -0.49 -0.77 3.04 3.38 -0.72 -1.63 115.31 118.23 3ha8 h LEU 74 Ca 0.05 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3ha8 h LEU 74 Cb 0.17 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ha8 h LEU 74 CO -0.00 -0.23 -0.21 -0.07 0.09 0.00 0.00 178.44 178.02 3ha8 h LEU 75 N -0.27 0.71 -1.44 1.67 3.38 -1.29 0.24 115.31 118.31 3ha8 h LEU 75 Ca 0.05 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3ha8 h LEU 75 Cb 0.34 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ha8 h LEU 75 CO -0.16 0.91 -0.25 0.11 0.09 0.00 0.00 178.44 179.14 3ha8 h LYS 76 N 0.62 0.05 0.06 1.13 1.57 -0.76 -3.20 116.57 116.03 3ha8 h LYS 76 Ca 0.09 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.57 3ha8 h LYS 76 Cb 0.69 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 3ha8 h LYS 76 CO 0.05 0.30 -1.54 1.25 -0.57 0.00 0.00 179.45 178.94 3ha8 h HIS 77 N 0.04 0.22 -2.30 -1.35 2.76 -0.66 -3.45 115.15 110.41 3ha8 h HIS 77 Ca 0.01 -0.16 -0.52 0.00 -2.20 0.00 0.00 60.37 57.49 3ha8 h HIS 77 Cb 0.47 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.38 3ha8 h HIS 77 CO 0.00 1.22 1.27 -1.64 -1.30 0.00 0.00 177.93 177.48 3ha8 s MET 78 N -2.62 2.92 -0.59 5.26 -1.94 0.01 -4.91 119.30 117.44 3ha8 s MET 78 Ca -0.07 0.66 0.04 0.00 -1.71 0.00 0.00 55.69 54.61 3ha8 s MET 78 Cb 0.08 -4.29 0.16 0.00 2.01 0.00 0.00 34.83 32.79 3ha8 s MET 78 CO 0.83 -2.38 0.39 0.15 -0.01 0.00 0.00 175.02 174.00 3ha8 s LYS 79 N 6.40 1.98 -0.04 2.03 1.02 -1.26 -4.24 119.74 125.63 3ha8 s LYS 79 Ca 0.64 -2.83 -0.25 0.00 0.02 0.00 0.00 55.97 53.55 3ha8 s LYS 79 Cb -0.14 -2.96 0.05 0.00 -0.52 0.00 0.00 37.83 34.26 3ha8 s LYS 79 CO 0.23 -1.25 0.54 -1.58 -0.92 0.00 0.00 175.35 172.38 3ha8 s HIS 80 N -0.75 -0.48 0.35 3.18 2.46 -1.26 -5.07 115.29 113.72 3ha8 s HIS 80 Ca 0.23 0.82 0.11 0.00 0.47 0.00 0.00 55.06 56.70 3ha8 s HIS 80 Cb -0.11 0.29 0.64 0.00 -0.13 0.00 0.00 32.58 33.27 3ha8 s HIS 80 CO -0.11 -0.53 1.78 0.93 -2.47 0.00 0.00 174.74 174.35 3ha8 h GLU 81 N 3.35 0.04 -0.43 2.88 5.08 -1.97 -3.08 114.58 120.44 3ha8 h GLU 81 Ca -0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3ha8 h GLU 81 Cb 1.15 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3ha8 h GLU 81 CO 0.39 0.44 0.00 0.09 -1.00 0.00 0.00 179.01 178.93 3ha8 n ASN 82 N -4.05 4.79 -3.91 1.42 5.03 -1.26 -4.70 115.26 112.58 3ha8 n ASN 82 Ca -0.02 -2.93 -0.19 0.00 0.87 0.00 0.00 54.58 52.32 3ha8 n ASN 82 Cb 0.44 -0.61 -0.16 0.00 -1.02 0.00 0.00 39.78 38.44 3ha8 n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3ha8 s VAL 83 N -2.71 0.49 -0.08 2.41 1.01 -1.17 -0.27 120.40 120.08 3ha8 s VAL 83 Ca 0.48 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 3ha8 s VAL 83 Cb 0.37 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 36.21 3ha8 s VAL 83 CO 0.13 0.19 1.69 -0.63 0.00 0.00 0.00 175.10 176.49 3ha8 s ILE 84 N 0.65 3.53 0.00 2.22 1.01 0.00 -4.47 121.20 124.14 3ha8 s ILE 84 Ca -0.08 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3ha8 s ILE 84 Cb -0.12 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.91 3ha8 s ILE 84 CO -0.00 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.46 3ha8 n GLY 85 N 4.30 4.87 3.15 6.18 0.00 -1.26 -4.88 105.19 117.56 3ha8 n GLY 85 Ca 0.18 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 3ha8 n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ha8 s LEU 86 N 0.00 3.56 0.28 0.99 2.96 -1.24 -4.62 118.68 120.60 3ha8 s LEU 86 Ca 0.00 -1.19 0.13 0.00 -0.22 0.00 0.00 54.13 52.85 3ha8 s LEU 86 Cb 0.00 -1.65 0.30 0.00 0.50 0.00 0.00 46.19 45.34 3ha8 s LEU 86 CO 0.00 -0.20 1.56 -0.07 -1.32 0.00 0.00 176.35 176.31 3ha8 h LEU 87 N 7.94 0.00 -7.00 -0.68 3.38 -1.48 -3.44 115.31 114.03 3ha8 h LEU 87 Ca -0.24 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.77 3ha8 h LEU 87 Cb 1.07 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 3ha8 h LEU 87 CO 0.53 0.59 0.36 -0.62 0.09 0.00 0.00 178.44 179.39 3ha8 s ASP 88 N -6.61 -0.47 -0.11 -0.43 3.68 -1.12 -4.63 116.67 106.98 3ha8 s ASP 88 Ca 0.01 0.13 -0.08 0.00 2.13 0.00 0.00 52.55 54.74 3ha8 s ASP 88 Cb 0.11 0.47 0.03 0.00 -1.45 0.00 0.00 42.92 42.08 3ha8 s ASP 88 CO 0.74 -0.71 0.27 0.54 0.13 0.00 0.00 175.17 176.15 3ha8 s VAL 89 N -2.87 -0.01 0.18 1.11 0.11 -1.26 -0.93 120.40 116.72 3ha8 s VAL 89 Ca 0.01 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 58.96 3ha8 s VAL 89 Cb -0.01 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 3ha8 s VAL 89 CO -0.07 0.02 0.41 0.72 -3.33 0.00 0.00 175.10 172.85 3ha8 s PHE 90 N 0.49 0.11 -0.02 1.54 -0.12 -0.89 -4.96 117.98 114.13 3ha8 s PHE 90 Ca -0.03 -0.47 -0.02 0.00 -0.05 0.00 0.00 56.93 56.37 3ha8 s PHE 90 Cb -0.04 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.54 3ha8 s PHE 90 CO -0.03 -0.82 0.05 -0.08 -0.05 0.00 0.00 175.22 174.29 3ha8 s THR 91 N -3.91 0.00 0.11 -4.49 -1.32 -1.26 -1.73 115.64 103.04 3ha8 s THR 91 Ca 0.12 -0.02 0.34 0.00 -1.21 0.00 0.00 61.69 60.92 3ha8 s THR 91 Cb 0.01 -0.08 0.36 0.00 -1.51 0.00 0.00 72.50 71.28 3ha8 s THR 91 CO -0.02 -0.01 2.01 1.55 -2.21 0.00 0.00 174.62 175.93 3ha8 h PRO 92 N 6.04 0.00 -6.75 7.08 0.13 -1.83 -3.45 132.00 133.21 3ha8 h PRO 92 Ca -0.25 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.36 3ha8 h PRO 92 Cb 1.21 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.39 3ha8 h PRO 92 CO 0.48 0.00 0.75 0.00 -0.23 0.00 0.00 178.00 179.00 3ha8 s ALA 93 N -3.72 3.61 -1.02 -0.56 0.00 -1.26 -4.93 121.76 113.89 3ha8 s ALA 93 Ca -0.00 1.32 0.24 0.00 0.00 0.00 0.00 51.96 53.52 3ha8 s ALA 93 Cb 0.10 -3.55 0.39 0.00 0.00 0.00 0.00 23.12 20.06 3ha8 s ALA 93 CO 0.45 -0.73 1.33 0.54 0.00 0.00 0.00 175.76 177.35 3ha8 n ARG 94 N 2.23 0.02 -3.89 0.00 1.74 -1.26 -4.96 116.66 110.54 3ha8 n ARG 94 Ca 0.06 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 3ha8 n ARG 94 Cb 0.40 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 3ha8 n ARG 94 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ha8 s SER 95 N -2.99 -0.18 0.32 0.55 0.15 -1.26 -5.06 113.70 105.23 3ha8 s SER 95 Ca 0.11 -0.71 0.07 0.00 0.70 0.00 0.00 55.95 56.12 3ha8 s SER 95 Cb 0.17 0.62 0.55 0.00 -1.71 0.00 0.00 66.02 65.66 3ha8 s SER 95 CO 0.72 -1.17 1.77 0.25 1.20 0.00 0.00 173.24 176.01 3ha8 h LEU 96 N 2.17 0.26 -1.17 3.45 6.46 -1.95 -2.52 115.31 122.00 3ha8 h LEU 96 Ca -0.25 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.34 3ha8 h LEU 96 Cb 1.25 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 3ha8 h LEU 96 CO 0.33 0.57 -0.36 -0.33 -0.62 0.00 0.00 178.44 178.03 3ha8 h GLU 97 N 0.22 0.10 -0.25 1.25 3.07 -2.01 -2.75 114.58 114.20 3ha8 h GLU 97 Ca 0.03 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3ha8 h GLU 97 Cb 0.67 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3ha8 h GLU 97 CO 0.05 0.45 0.00 -0.85 -1.40 0.00 0.00 179.01 177.26 3ha8 n GLU 98 N -4.09 2.18 -2.26 2.33 0.28 -1.18 -4.95 120.64 112.94 3ha8 n GLU 98 Ca -0.02 -2.01 -0.43 0.00 -0.16 0.00 0.00 57.16 54.55 3ha8 n GLU 98 Cb 0.41 -1.43 -0.02 0.00 1.43 0.00 0.00 31.44 31.83 3ha8 n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3ha8 s PHE 99 N -1.44 2.36 0.00 -1.84 5.36 -0.96 -4.75 117.98 116.73 3ha8 s PHE 99 Ca 0.31 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 3ha8 s PHE 99 Cb 0.19 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 3ha8 s PHE 99 CO 0.27 -2.34 0.00 0.09 -1.46 0.00 0.00 175.22 171.77 3ha8 n ASN 100 N 8.19 1.22 -4.39 6.13 3.02 -1.26 -5.03 115.26 123.14 3ha8 n ASN 100 Ca 0.17 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.40 3ha8 n ASN 100 Cb 0.46 0.11 -0.15 0.00 -0.61 0.00 0.00 39.78 39.60 3ha8 n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ha8 s ASP 101 N -1.63 3.56 -0.12 6.41 1.01 -1.26 -4.70 116.67 119.94 3ha8 s ASP 101 Ca 0.00 -0.34 0.02 0.00 0.71 0.00 0.00 52.55 52.95 3ha8 s ASP 101 Cb 0.00 -0.67 -0.00 0.00 1.01 0.00 0.00 42.92 43.26 3ha8 s ASP 101 CO 0.00 0.32 -0.20 -0.69 0.21 0.00 0.00 175.17 174.81 3ha8 s VAL 102 N -0.60 2.37 -0.06 -1.27 1.01 -1.26 -4.52 120.40 116.07 3ha8 s VAL 102 Ca 0.09 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3ha8 s VAL 102 Cb -0.11 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3ha8 s VAL 102 CO 0.00 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.18 3ha8 s TYR 103 N 0.43 2.67 -0.04 5.22 1.51 -0.71 -1.75 117.35 124.69 3ha8 s TYR 103 Ca -0.15 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 55.65 3ha8 s TYR 103 Cb -0.17 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 3ha8 s TYR 103 CO 0.06 0.06 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.84 3ha8 s LEU 104 N -0.46 2.31 -0.05 -1.29 1.43 0.56 -2.09 118.68 119.10 3ha8 s LEU 104 Ca 0.06 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.84 3ha8 s LEU 104 Cb -0.12 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 3ha8 s LEU 104 CO 0.02 0.31 -0.25 -0.69 0.23 0.00 0.00 176.35 175.97 3ha8 s VAL 105 N -0.55 2.00 0.30 -1.59 1.01 -0.10 -0.15 120.40 121.32 3ha8 s VAL 105 Ca 0.08 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 3ha8 s VAL 105 Cb -0.11 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 3ha8 s VAL 105 CO 0.00 0.56 0.46 0.28 0.00 0.00 0.00 175.10 176.41 3ha8 s THR 106 N -0.26 0.00 0.30 3.92 -1.32 -0.27 -1.12 115.64 116.90 3ha8 s THR 106 Ca -0.00 -1.54 -0.30 0.00 -1.21 0.00 0.00 61.69 58.64 3ha8 s THR 106 Cb -0.13 -2.49 -0.12 0.00 -1.51 0.00 0.00 72.50 68.25 3ha8 s THR 106 CO 0.02 0.00 1.55 1.41 -2.21 0.00 0.00 174.62 175.40 3ha8 n HIS 107 N -0.48 2.80 -2.48 9.09 8.25 -1.26 -0.28 115.22 130.87 3ha8 n HIS 107 Ca -0.00 0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 57.34 3ha8 n HIS 107 Cb 0.62 -2.57 -0.03 0.00 1.12 0.00 0.00 29.99 29.14 3ha8 n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3ha8 s LEU 108 N -0.70 4.27 0.00 2.41 2.96 -0.52 -4.29 118.68 122.82 3ha8 s LEU 108 Ca 0.62 1.79 0.04 0.00 -0.22 0.00 0.00 54.13 56.36 3ha8 s LEU 108 Cb -0.51 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.59 3ha8 s LEU 108 CO 0.52 -0.58 -0.08 -0.04 -1.32 0.00 0.00 176.35 174.85 3ha8 s MET 109 N 2.22 2.50 0.10 1.98 -1.94 -1.26 -4.93 119.30 117.97 3ha8 s MET 109 Ca 0.55 -0.75 -0.14 0.00 -1.71 0.00 0.00 55.69 53.65 3ha8 s MET 109 Cb -0.24 -2.46 -0.13 0.00 2.01 0.00 0.00 34.83 34.00 3ha8 s MET 109 CO 0.21 0.60 1.33 0.78 -0.01 0.00 0.00 175.02 177.93 3ha8 h GLY 110 N 4.57 0.84 -2.27 -0.03 0.00 -1.89 -3.48 103.07 100.81 3ha8 h GLY 110 Ca -0.48 -1.09 0.05 0.00 0.00 0.00 0.00 47.33 45.81 3ha8 h GLY 110 CO 0.53 0.97 0.23 0.00 0.00 0.00 0.00 176.54 178.27 3ha8 s ALA 111 N -3.92 -1.32 0.82 3.60 0.00 -0.52 -5.03 121.76 115.39 3ha8 s ALA 111 Ca -0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 3ha8 s ALA 111 Cb 0.09 0.86 0.15 0.00 0.00 0.00 0.00 23.12 24.21 3ha8 s ALA 111 CO 0.88 -0.97 1.14 0.16 0.00 0.00 0.00 175.76 176.97 3ha8 s ASP 112 N -2.87 3.86 0.30 0.00 1.47 -1.26 0.08 116.67 118.25 3ha8 s ASP 112 Ca 0.08 0.01 0.12 0.00 1.18 0.00 0.00 52.55 53.94 3ha8 s ASP 112 Cb -0.05 -0.27 0.46 0.00 -0.34 0.00 0.00 42.92 42.72 3ha8 s ASP 112 CO 0.02 -2.21 1.66 0.25 0.68 0.00 0.00 175.17 175.56 3ha8 h LEU 113 N -1.02 0.00 -0.27 2.11 5.85 -0.48 -2.99 115.31 118.50 3ha8 h LEU 113 Ca -0.41 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.37 3ha8 h LEU 113 Cb 1.26 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 3ha8 h LEU 113 CO 0.42 0.55 -0.14 0.78 -0.34 0.00 0.00 178.44 179.71 3ha8 h ASN 114 N 0.00 -0.45 0.10 1.25 2.35 -1.86 -0.30 115.58 116.66 3ha8 h ASN 114 Ca -0.01 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3ha8 h ASN 114 Cb 1.01 0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3ha8 h ASN 114 CO 0.07 -0.17 0.00 -3.20 -1.65 0.00 0.00 177.43 172.48 3ha8 n ASN 115 N -5.31 0.00 -0.11 5.81 2.85 -1.13 -1.70 115.26 115.67 3ha8 n ASN 115 Ca -0.00 -0.16 -0.23 0.00 -0.11 0.00 0.00 54.58 54.08 3ha8 n ASN 115 Cb 0.22 -0.12 -0.08 0.00 1.24 0.00 0.00 39.78 41.04 3ha8 n ASN 115 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 3ha8 n ILE 116 N -1.12 1.18 0.25 -1.44 5.41 -0.59 -4.13 119.36 118.91 3ha8 n ILE 116 Ca 0.08 -0.31 0.11 0.00 1.00 0.00 0.00 62.75 63.63 3ha8 n ILE 116 Cb 0.06 -1.77 0.65 0.00 -0.71 0.00 0.00 39.64 37.88 3ha8 n ILE 116 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 3ha8 h VAL 117 N -0.74 0.69 -0.04 1.39 3.04 -1.00 0.36 116.25 119.94 3ha8 h VAL 117 Ca -0.54 -0.63 -0.12 0.00 -1.01 0.00 0.00 66.70 64.40 3ha8 h VAL 117 Cb 1.49 1.39 0.01 0.00 -2.01 0.00 0.00 31.29 32.17 3ha8 h VAL 117 CO -0.32 0.15 -0.43 0.11 -1.01 0.00 0.00 177.57 176.07 3ha8 h LYS 118 N 0.00 0.37 0.17 4.17 1.79 -1.57 -3.39 116.57 118.11 3ha8 h LYS 118 Ca -0.00 -0.34 -0.36 0.00 -2.18 0.00 0.00 60.65 57.78 3ha8 h LYS 118 Cb 0.38 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3ha8 h LYS 118 CO 0.02 1.00 -1.82 0.00 -1.08 0.00 0.00 179.45 177.56 3ha8 s GLN 120 N -2.57 3.51 -0.28 0.00 2.00 0.12 -5.09 119.66 117.35 3ha8 s GLN 120 Ca -0.18 -0.35 -0.11 0.00 -2.00 0.00 0.00 55.36 52.73 3ha8 s GLN 120 Cb 0.06 -2.90 -0.05 0.00 0.80 0.00 0.00 33.01 30.92 3ha8 s GLN 120 CO 0.83 0.47 0.19 -1.59 -0.50 0.00 0.00 175.29 174.69 3ha8 s LYS 121 N -3.02 3.91 -0.31 1.67 -2.85 -1.26 -4.68 119.74 113.20 3ha8 s LYS 121 Ca 0.38 -0.35 -0.13 0.00 -1.00 0.00 0.00 55.97 54.87 3ha8 s LYS 121 Cb -0.12 -3.66 -0.03 0.00 -2.06 0.00 0.00 37.83 31.96 3ha8 s LYS 121 CO 0.28 -0.20 0.28 -0.51 0.10 0.00 0.00 175.35 175.30 3ha8 s LEU 122 N 1.75 4.23 0.76 2.77 1.43 -1.26 -5.07 118.68 123.28 3ha8 s LEU 122 Ca 0.07 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 3ha8 s LEU 122 Cb -0.16 -2.24 0.05 0.00 0.03 0.00 0.00 46.19 43.88 3ha8 s LEU 122 CO 0.11 -0.18 1.12 0.42 0.23 0.00 0.00 176.35 178.04 3ha8 s THR 123 N 1.88 3.00 0.52 5.49 -4.23 -1.26 -4.86 115.64 116.17 3ha8 s THR 123 Ca 0.10 0.38 0.20 0.00 -1.18 0.00 0.00 61.69 61.18 3ha8 s THR 123 Cb -0.16 -2.81 0.33 0.00 1.34 0.00 0.00 72.50 71.20 3ha8 s THR 123 CO 0.11 -0.38 2.07 -0.78 -0.54 0.00 0.00 174.62 175.10 3ha8 h ASP 124 N -0.87 0.04 -0.47 3.99 3.58 -1.97 -1.58 116.42 119.14 3ha8 h ASP 124 Ca -0.45 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 56.97 3ha8 h ASP 124 Cb 1.25 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.27 3ha8 h ASP 124 CO 0.50 0.02 0.15 0.44 -2.88 0.00 0.00 179.24 177.48 3ha8 h ASP 125 N 0.04 0.67 -0.46 2.28 3.45 -2.00 -1.57 116.42 118.84 3ha8 h ASP 125 Ca 0.14 -0.20 -0.11 0.00 0.43 0.00 0.00 57.03 57.28 3ha8 h ASP 125 Cb 0.49 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 3ha8 h ASP 125 CO -0.01 0.69 -0.13 0.45 -1.57 0.00 0.00 179.24 178.68 3ha8 h HIS 126 N 0.62 1.05 -0.66 4.55 3.86 -1.67 -2.53 115.15 120.37 3ha8 h HIS 126 Ca 0.15 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 3ha8 h HIS 126 Cb 0.26 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 3ha8 h HIS 126 CO 0.01 1.00 0.34 0.28 0.86 0.00 0.00 177.93 180.42 3ha8 h VAL 127 N 0.84 1.22 -0.02 2.45 2.07 -1.34 -0.83 116.25 120.64 3ha8 h VAL 127 Ca 0.13 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.10 3ha8 h VAL 127 Cb 0.67 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3ha8 h VAL 127 CO 0.05 0.24 -0.18 1.56 0.02 0.00 0.00 177.57 179.27 3ha8 h GLN 128 N 0.91 -0.27 -0.45 1.57 4.20 -1.11 -0.74 115.11 119.23 3ha8 h GLN 128 Ca 0.23 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 3ha8 h GLN 128 Cb 0.08 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3ha8 h GLN 128 CO -0.03 -0.18 0.13 0.35 -0.67 0.00 0.00 178.83 178.43 3ha8 h PHE 129 N -0.28 0.73 0.33 2.96 3.57 -1.23 0.33 116.94 123.35 3ha8 h PHE 129 Ca 0.06 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3ha8 h PHE 129 Cb 0.36 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3ha8 h PHE 129 CO -0.24 0.66 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.27 3ha8 h LEU 130 N 0.59 -0.37 -0.47 0.59 3.38 -1.06 -1.88 115.31 116.09 3ha8 h LEU 130 Ca 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ha8 h LEU 130 Cb 0.28 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3ha8 h LEU 130 CO -0.00 -0.10 0.30 0.40 0.09 0.00 0.00 178.44 179.13 3ha8 h ILE 131 N -0.65 1.13 -0.79 1.22 1.08 -1.12 -1.28 117.51 117.09 3ha8 h ILE 131 Ca -0.05 -0.25 0.14 0.00 -0.39 0.00 0.00 64.86 64.32 3ha8 h ILE 131 Cb 0.46 0.46 -0.09 0.00 -3.07 0.00 0.00 36.82 34.58 3ha8 h ILE 131 CO 0.07 0.12 0.37 0.22 -0.69 0.00 0.00 178.15 178.25 3ha8 h TYR 132 N 0.63 0.64 -0.42 1.37 3.20 -0.94 0.33 116.97 121.79 3ha8 h TYR 132 Ca 0.17 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 3ha8 h TYR 132 Cb -0.05 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3ha8 h TYR 132 CO -0.04 0.13 0.10 1.96 -1.64 0.00 0.00 178.16 178.67 3ha8 h GLN 133 N 0.54 0.67 -0.52 1.82 4.20 -0.64 -0.08 115.11 121.10 3ha8 h GLN 133 Ca 0.43 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 59.01 3ha8 h GLN 133 Cb 0.62 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 3ha8 h GLN 133 CO -0.37 0.69 0.28 0.82 -0.67 0.00 0.00 178.83 179.58 3ha8 h ILE 134 N 0.53 0.99 -0.19 2.54 2.04 -0.37 -1.62 117.51 121.44 3ha8 h ILE 134 Ca 0.13 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 3ha8 h ILE 134 Cb 0.32 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3ha8 h ILE 134 CO 0.00 0.10 -0.36 -0.07 0.00 0.00 0.00 178.15 177.82 3ha8 h LEU 135 N 0.55 0.43 -0.52 1.44 3.38 -0.63 -0.64 115.31 119.32 3ha8 h LEU 135 Ca 0.22 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3ha8 h LEU 135 Cb 0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ha8 h LEU 135 CO -0.13 0.76 0.02 -0.09 0.09 0.00 0.00 178.44 179.08 3ha8 h ARG 136 N 0.35 0.91 -0.56 1.13 2.43 -0.75 -0.90 114.38 116.99 3ha8 h ARG 136 Ca 0.04 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 58.82 3ha8 h ARG 136 Cb 0.80 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3ha8 h ARG 136 CO 0.06 0.92 -0.07 0.78 -1.51 0.00 0.00 179.97 180.15 3ha8 h GLY 137 N 0.78 1.12 0.90 2.80 0.00 -1.03 -3.11 103.07 104.54 3ha8 h GLY 137 Ca 0.15 -0.88 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 3ha8 h GLY 137 CO 0.02 0.81 -0.06 1.41 0.00 0.00 0.00 176.54 178.72 3ha8 h LEU 138 N 0.92 0.60 -0.95 3.11 3.38 -0.98 -0.95 115.31 120.44 3ha8 h LEU 138 Ca 0.15 -0.35 0.19 0.00 0.09 0.00 0.00 57.88 57.96 3ha8 h LEU 138 Cb 0.64 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 3ha8 h LEU 138 CO 0.04 0.81 0.53 0.50 0.09 0.00 0.00 178.44 180.42 3ha8 h LYS 139 N 0.38 0.63 -0.00 1.13 3.64 -1.20 0.42 116.57 121.57 3ha8 h LYS 139 Ca 0.08 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ha8 h LYS 139 Cb 0.54 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3ha8 h LYS 139 CO 0.03 0.42 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.71 3ha8 h TYR 140 N 0.65 0.01 -0.28 1.91 3.20 -1.42 -1.92 116.97 119.12 3ha8 h TYR 140 Ca 0.56 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.43 3ha8 h TYR 140 Cb 0.91 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 3ha8 h TYR 140 CO -0.05 0.42 0.17 0.82 -1.64 0.00 0.00 178.16 177.89 3ha8 h ILE 141 N -0.41 1.05 -0.18 1.81 2.04 -0.07 -2.85 117.51 118.90 3ha8 h ILE 141 Ca 0.00 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 3ha8 h ILE 141 Cb 0.42 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3ha8 h ILE 141 CO 0.00 0.06 -0.28 0.45 0.00 0.00 0.00 178.15 178.39 3ha8 h HIS 142 N 0.36 0.38 0.00 1.37 3.86 -0.26 -2.30 115.15 118.55 3ha8 h HIS 142 Ca 0.11 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3ha8 h HIS 142 Cb -0.02 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.36 3ha8 h HIS 142 CO -0.07 0.59 0.00 0.66 0.86 0.00 0.00 177.93 179.97 3ha8 h SER 143 N 0.30 0.00 -0.17 2.45 4.64 -1.11 -0.92 113.55 118.74 3ha8 h SER 143 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3ha8 h SER 143 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3ha8 h SER 143 CO 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 3ha8 n ALA 144 N -1.91 2.49 -3.12 5.18 0.00 -0.89 -4.70 120.51 117.55 3ha8 n ALA 144 Ca 0.00 -0.66 -0.16 0.00 0.00 0.00 0.00 53.44 52.61 3ha8 n ALA 144 Cb 0.19 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.69 3ha8 n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ha8 n ASP 145 N 0.79 -4.99 -4.37 0.00 10.43 -0.35 -4.45 116.55 113.62 3ha8 n ASP 145 Ca 0.17 -0.32 -0.33 0.00 2.57 0.00 0.00 54.79 56.88 3ha8 n ASP 145 Cb 0.46 -3.66 -0.15 0.00 1.84 0.00 0.00 41.12 39.61 3ha8 n ASP 145 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3ha8 s ILE 146 N -3.15 2.86 -0.18 0.53 1.01 -1.07 -5.04 121.20 116.15 3ha8 s ILE 146 Ca 0.35 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 3ha8 s ILE 146 Cb -0.16 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3ha8 s ILE 146 CO 0.44 0.55 0.07 -0.63 0.00 0.00 0.00 174.94 175.37 3ha8 s ILE 147 N 0.05 4.90 0.05 2.92 1.01 -1.26 -3.74 121.20 125.12 3ha8 s ILE 147 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.34 3ha8 s ILE 147 Cb -0.15 -3.20 -0.17 0.00 0.01 0.00 0.00 42.46 38.95 3ha8 s ILE 147 CO 0.05 0.47 1.53 -0.74 0.00 0.00 0.00 174.94 176.25 3ha8 h HIS 148 N 6.55 -0.15 0.00 3.97 -0.00 -1.96 -3.47 115.15 120.09 3ha8 h HIS 148 Ca -0.39 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3ha8 h HIS 148 Cb 1.17 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 3ha8 h HIS 148 CO 0.57 0.06 0.00 0.54 -0.00 0.00 0.00 177.93 179.10 3ha8 n ARG 149 N -5.08 0.00 -2.67 5.26 1.74 -1.26 -4.74 116.66 109.91 3ha8 n ARG 149 Ca -0.08 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 3ha8 n ARG 149 Cb 0.16 -0.41 0.03 0.00 -1.02 0.00 0.00 32.46 31.22 3ha8 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ha8 n ASP 150 N 0.62 1.78 -4.73 0.55 4.64 -1.26 -4.95 116.55 113.20 3ha8 n ASP 150 Ca 0.00 -2.69 -0.42 0.00 -1.38 0.00 0.00 54.79 50.31 3ha8 n ASP 150 Cb 0.00 -0.51 -0.03 0.00 -1.04 0.00 0.00 41.12 39.54 3ha8 n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3ha8 s LEU 151 N -3.28 4.39 -0.06 -2.67 1.43 -1.26 -4.87 118.68 112.35 3ha8 s LEU 151 Ca 0.29 2.41 -0.30 0.00 -1.03 0.00 0.00 54.13 55.50 3ha8 s LEU 151 Cb 0.43 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 43.16 3ha8 s LEU 151 CO 0.01 -0.62 0.96 -1.59 0.23 0.00 0.00 176.35 175.34 3ha8 s LYS 152 N 0.53 0.69 0.47 1.70 -2.85 -1.26 -4.82 119.74 114.20 3ha8 s LYS 152 Ca 0.62 -0.22 0.26 0.00 -1.00 0.00 0.00 55.97 55.62 3ha8 s LYS 152 Cb -0.38 0.32 1.30 0.00 -2.06 0.00 0.00 37.83 37.01 3ha8 s LYS 152 CO 0.34 -0.30 1.81 -1.35 0.10 0.00 0.00 175.35 175.96 3ha8 h PRO 153 N 2.05 0.21 0.00 1.78 0.11 -1.94 0.29 132.00 134.50 3ha8 h PRO 153 Ca -0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3ha8 h PRO 153 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ha8 h PRO 153 CO 0.29 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 177.09 3ha8 n SER 154 N -4.42 0.00 -0.56 -2.05 3.41 -1.26 -2.01 113.62 106.74 3ha8 n SER 154 Ca 0.23 0.43 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 3ha8 n SER 154 Cb 0.97 -0.48 0.44 0.00 -0.26 0.00 0.00 64.21 64.88 3ha8 n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ha8 n ASN 155 N -1.48 1.75 -4.26 4.04 3.02 0.09 -4.86 115.26 113.56 3ha8 n ASN 155 Ca 0.07 -1.56 -0.35 0.00 -0.03 0.00 0.00 54.58 52.71 3ha8 n ASN 155 Cb 0.30 0.01 -0.14 0.00 -0.61 0.00 0.00 39.78 39.35 3ha8 n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ha8 s LEU 156 N -2.03 3.27 -0.12 3.41 1.43 -0.99 -1.59 118.68 122.06 3ha8 s LEU 156 Ca 0.35 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 3ha8 s LEU 156 Cb 0.21 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 3ha8 s LEU 156 CO 0.34 -0.12 0.39 0.00 0.23 0.00 0.00 176.35 177.19 3ha8 s ALA 157 N 1.40 3.56 0.04 4.21 0.00 -0.35 -1.09 121.76 129.53 3ha8 s ALA 157 Ca 0.02 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.72 3ha8 s ALA 157 Cb -0.16 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 3ha8 s ALA 157 CO -0.03 0.11 -0.12 0.14 0.00 0.00 0.00 175.76 175.87 3ha8 s VAL 158 N 0.30 0.94 0.54 0.00 -7.23 0.11 -0.45 120.40 114.61 3ha8 s VAL 158 Ca 0.22 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.46 3ha8 s VAL 158 Cb -0.14 -0.88 0.02 0.00 0.56 0.00 0.00 36.38 35.94 3ha8 s VAL 158 CO 0.08 -0.07 0.19 0.54 -0.31 0.00 0.00 175.10 175.54 3ha8 s ASN 159 N -1.15 4.37 0.32 4.85 2.20 -0.82 -1.44 114.94 123.27 3ha8 s ASN 159 Ca -0.01 -1.49 0.09 0.00 -0.94 0.00 0.00 52.86 50.51 3ha8 s ASN 159 Cb -0.08 0.55 0.86 0.00 -2.00 0.00 0.00 41.25 40.59 3ha8 s ASN 159 CO 0.01 -1.01 1.75 -0.33 -2.94 0.00 0.00 177.10 174.59 3ha8 h GLU 160 N 1.04 0.61 0.00 3.55 3.07 -1.99 0.32 114.58 121.17 3ha8 h GLU 160 Ca -0.40 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3ha8 h GLU 160 Cb 1.31 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3ha8 h GLU 160 CO 0.66 0.40 0.00 -0.25 -1.40 0.00 0.00 179.01 178.42 3ha8 n ASP 161 N -4.81 0.00 -1.16 1.42 9.92 -1.26 -4.83 116.55 115.82 3ha8 n ASP 161 Ca 0.25 -0.47 -0.15 0.00 -0.53 0.00 0.00 54.79 53.89 3ha8 n ASP 161 Cb 0.70 -0.02 -0.06 0.00 -0.64 0.00 0.00 41.12 41.10 3ha8 n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ha8 s GLU 163 N -3.35 4.41 0.02 0.00 2.02 -1.25 -4.79 118.70 115.76 3ha8 s GLU 163 Ca 0.00 1.72 0.06 0.00 0.02 0.00 0.00 54.97 56.76 3ha8 s GLU 163 Cb 0.00 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 3ha8 s GLU 163 CO 0.00 -0.31 -0.15 -1.17 0.02 0.00 0.00 175.26 173.65 3ha8 s LEU 164 N 1.47 2.75 0.01 1.80 0.20 -1.26 -1.95 118.68 121.69 3ha8 s LEU 164 Ca 0.57 -0.32 0.04 0.00 0.69 0.00 0.00 54.13 55.11 3ha8 s LEU 164 Cb -0.27 -1.59 -0.01 0.00 -0.43 0.00 0.00 46.19 43.88 3ha8 s LEU 164 CO 0.27 0.28 -0.13 -0.54 -0.29 0.00 0.00 176.35 175.94 3ha8 s LYS 165 N -1.30 0.97 0.21 1.98 1.02 0.41 -4.27 119.74 118.76 3ha8 s LYS 165 Ca 0.15 -0.54 -0.20 0.00 0.02 0.00 0.00 55.97 55.40 3ha8 s LYS 165 Cb -0.11 -0.94 -0.08 0.00 -0.52 0.00 0.00 37.83 36.18 3ha8 s LYS 165 CO 0.05 0.25 0.72 0.42 -0.92 0.00 0.00 175.35 175.87 3ha8 s ILE 166 N -0.48 4.57 0.11 2.17 1.01 0.62 -1.21 121.20 128.01 3ha8 s ILE 166 Ca 0.03 1.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.95 3ha8 s ILE 166 Cb -0.06 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 3ha8 s ILE 166 CO 0.00 0.23 0.07 -0.22 0.00 0.00 0.00 174.94 175.02 3ha8 s LEU 167 N -1.91 1.84 -0.66 2.97 0.20 -0.62 -0.82 118.68 119.67 3ha8 s LEU 167 Ca 0.42 -1.10 -0.06 0.00 0.69 0.00 0.00 54.13 54.08 3ha8 s LEU 167 Cb -0.17 0.41 0.01 0.00 -0.43 0.00 0.00 46.19 46.01 3ha8 s LEU 167 CO 0.21 -0.72 0.66 -0.67 -0.29 0.00 0.00 176.35 175.55 3ha8 n ASP 168 N -0.06 -7.35 -4.23 3.68 2.03 -1.26 -4.85 116.55 104.51 3ha8 n ASP 168 Ca -0.08 -0.04 -0.39 0.00 0.52 0.00 0.00 54.79 54.80 3ha8 n ASP 168 Cb 0.63 -4.68 -0.03 0.00 -0.72 0.00 0.00 41.12 36.32 3ha8 n ASP 168 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3ha8 n PHE 169 N -1.43 3.38 0.00 -0.67 3.72 -1.26 -4.89 117.46 116.31 3ha8 n PHE 169 Ca -0.02 -2.29 0.00 0.00 -0.05 0.00 0.00 57.45 55.10 3ha8 n PHE 169 Cb 0.53 -2.44 0.00 0.00 -0.94 0.00 0.00 39.48 36.62 3ha8 n PHE 169 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3ha8 n ASP 177 N 9.47 0.00 0.01 4.37 3.85 -1.26 -5.04 116.55 127.94 3ha8 n ASP 177 Ca 0.49 0.00 0.04 0.00 -0.71 0.00 0.00 54.79 54.61 3ha8 n ASP 177 Cb 0.44 0.00 0.20 0.00 -1.35 0.00 0.00 41.12 40.41 3ha8 n ASP 177 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3ha8 n GLU 178 N 0.00 0.01 -0.22 0.11 2.13 -1.26 -1.96 120.64 119.45 3ha8 n GLU 178 Ca 0.00 0.36 0.07 0.00 0.66 0.00 0.00 57.16 58.25 3ha8 n GLU 178 Cb 0.00 -1.52 0.19 0.00 0.27 0.00 0.00 31.44 30.38 3ha8 n GLU 178 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3ha8 n MET 179 N -1.53 2.87 -4.13 5.31 2.81 -1.26 -4.78 117.12 116.41 3ha8 n MET 179 Ca 0.02 -2.18 -0.35 0.00 -1.81 0.00 0.00 57.70 53.38 3ha8 n MET 179 Cb 0.10 -1.34 -0.10 0.00 -0.71 0.00 0.00 33.22 31.17 3ha8 n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3ha8 s THR 180 N -1.08 4.64 0.00 2.03 2.01 -0.83 -4.84 115.64 117.58 3ha8 s THR 180 Ca 0.28 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.18 3ha8 s THR 180 Cb 0.15 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.61 3ha8 s THR 180 CO 0.18 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 3ha8 n GLY 181 N 3.07 -1.18 3.28 4.40 0.00 -1.25 -4.62 105.19 108.88 3ha8 n GLY 181 Ca -0.17 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3ha8 n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ha8 n TYR 182 N 0.00 4.32 -4.38 1.61 9.36 -1.21 -3.71 117.16 123.16 3ha8 n TYR 182 Ca 0.00 -3.17 -0.19 0.00 3.32 0.00 0.00 57.90 57.86 3ha8 n TYR 182 Cb 0.00 -2.12 -0.15 0.00 -0.63 0.00 0.00 39.34 36.44 3ha8 n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3ha8 s VAL 183 N 1.25 0.73 0.60 2.97 -7.23 -1.26 -5.03 120.40 112.42 3ha8 s VAL 183 Ca 0.42 -0.39 0.30 0.00 -1.81 0.00 0.00 61.98 60.50 3ha8 s VAL 183 Cb 0.01 -0.61 0.36 0.00 0.56 0.00 0.00 36.38 36.70 3ha8 s VAL 183 CO 0.00 0.21 2.18 0.00 -0.31 0.00 0.00 175.10 177.18 3ha8 h ALA 184 N 5.93 1.62 0.00 1.32 0.00 -1.96 -3.01 119.26 123.16 3ha8 h ALA 184 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ha8 h ALA 184 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ha8 h ALA 184 CO 0.50 -0.14 0.13 0.25 0.00 0.00 0.00 179.25 179.98 3ha8 n THR 185 N -3.76 0.95 0.00 0.00 -2.24 -1.26 -2.68 114.28 105.29 3ha8 n THR 185 Ca -0.01 0.71 0.00 0.00 -2.27 0.00 0.00 64.05 62.48 3ha8 n THR 185 Cb 0.20 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 3ha8 n THR 185 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3ha8 n ARG 186 N -2.06 3.94 0.03 -0.78 0.63 -1.14 -4.77 116.66 112.52 3ha8 n ARG 186 Ca -0.01 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 56.99 3ha8 n ARG 186 Cb 0.16 -0.42 0.32 0.00 0.45 0.00 0.00 32.46 32.97 3ha8 n ARG 186 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 3ha8 n TRP 187 N -0.69 0.19 0.08 -0.14 8.01 -1.09 -2.68 117.44 121.12 3ha8 n TRP 187 Ca 0.00 0.08 0.02 0.00 -1.31 0.00 0.00 57.50 56.29 3ha8 n TRP 187 Cb 0.00 -0.62 0.03 0.00 -2.01 0.00 0.00 31.31 28.71 3ha8 n TRP 187 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3ha8 n TYR 188 N -1.67 0.06 -2.70 -5.99 4.02 -1.26 -4.51 117.16 105.11 3ha8 n TYR 188 Ca 0.03 -0.18 -0.39 0.00 -0.01 0.00 0.00 57.90 57.35 3ha8 n TYR 188 Cb 0.16 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.41 3ha8 n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3ha8 s ARG 189 N -0.57 4.68 0.35 -0.72 1.81 -1.09 -3.82 118.95 119.57 3ha8 s ARG 189 Ca 0.06 1.49 -0.28 0.00 -1.72 0.00 0.00 55.73 55.28 3ha8 s ARG 189 Cb 0.04 -3.05 -0.09 0.00 -0.45 0.00 0.00 34.95 31.40 3ha8 s ARG 189 CO 0.05 0.34 1.22 0.00 -0.68 0.00 0.00 175.30 176.23 3ha8 s ALA 190 N -1.36 3.36 0.29 2.13 0.00 -1.26 -4.85 121.76 120.06 3ha8 s ALA 190 Ca 0.46 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.54 3ha8 s ALA 190 Cb -0.24 -3.41 0.68 0.00 0.00 0.00 0.00 23.12 20.14 3ha8 s ALA 190 CO 0.30 -0.51 1.74 -1.00 0.00 0.00 0.00 175.76 176.29 3ha8 h PRO 191 N 3.21 0.57 0.00 0.00 0.13 -1.95 0.20 132.00 134.15 3ha8 h PRO 191 Ca -0.48 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 3ha8 h PRO 191 Cb 1.23 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3ha8 h PRO 191 CO 0.65 0.37 -0.35 1.05 -0.23 0.00 0.00 178.00 179.49 3ha8 h GLU 192 N 0.58 0.00 0.10 0.86 9.09 -1.92 0.04 114.58 123.33 3ha8 h GLU 192 Ca 0.54 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.65 3ha8 h GLU 192 Cb 0.90 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.98 3ha8 h GLU 192 CO -0.43 0.35 -1.53 0.97 0.05 0.00 0.00 179.01 178.42 3ha8 h ILE 193 N 0.00 1.14 -0.18 -1.06 2.10 -1.66 -1.33 117.51 116.52 3ha8 h ILE 193 Ca -0.00 -2.81 -0.11 0.00 1.08 0.00 0.00 64.86 63.01 3ha8 h ILE 193 Cb 0.68 2.72 -0.01 0.00 -1.09 0.00 0.00 36.82 39.11 3ha8 h ILE 193 CO 0.05 0.80 -0.36 -0.03 -1.08 0.00 0.00 178.15 177.52 3ha8 h MET 194 N 0.05 0.39 -0.20 2.19 4.05 -0.70 -3.25 114.93 117.46 3ha8 h MET 194 Ca -0.24 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 3ha8 h MET 194 Cb 2.00 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.79 3ha8 h MET 194 CO 0.15 0.71 0.00 1.28 0.23 0.00 0.00 176.91 179.27 3ha8 n LEU 195 N -4.05 2.49 -3.84 3.39 4.77 -0.03 -5.01 117.00 114.72 3ha8 n LEU 195 Ca -0.01 -1.89 -0.34 0.00 -0.03 0.00 0.00 56.01 53.74 3ha8 n LEU 195 Cb 0.47 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3ha8 n LEU 195 CO 0.43 0.61 -0.14 0.59 -1.33 0.00 0.00 177.39 177.55 3ha8 n ASN 196 N 0.19 -3.94 0.05 -1.43 3.02 -0.89 -4.89 115.26 107.36 3ha8 n ASN 196 Ca 0.07 -1.09 -0.09 0.00 -0.03 0.00 0.00 54.58 53.44 3ha8 n ASN 196 Cb 0.34 -2.86 0.05 0.00 -0.61 0.00 0.00 39.78 36.71 3ha8 n ASN 196 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 3ha8 h TRP 197 N -2.06 0.54 -2.70 3.10 6.55 -1.54 -3.43 115.95 116.40 3ha8 h TRP 197 Ca -0.67 -0.22 0.10 0.00 0.95 0.00 0.00 58.89 59.05 3ha8 h TRP 197 Cb 1.38 -0.09 -0.04 0.00 -0.86 0.00 0.00 29.16 29.55 3ha8 h TRP 197 CO 0.38 0.95 0.41 0.00 -1.05 0.00 0.00 178.44 179.13 3ha8 s MET 198 N -3.75 1.65 -0.40 0.49 0.23 -1.26 -2.15 119.30 114.11 3ha8 s MET 198 Ca -0.06 -1.01 -0.28 0.00 -1.03 0.00 0.00 55.69 53.32 3ha8 s MET 198 Cb 0.11 0.49 -0.03 0.00 -1.53 0.00 0.00 34.83 33.87 3ha8 s MET 198 CO 0.83 -0.77 1.95 -1.58 -2.03 0.00 0.00 175.02 173.43 3ha8 s HIS 199 N -2.74 1.59 0.48 3.16 5.65 -1.26 -4.91 115.29 117.26 3ha8 s HIS 199 Ca 0.16 0.77 -0.18 0.00 0.25 0.00 0.00 55.06 56.06 3ha8 s HIS 199 Cb -0.04 -4.02 -0.09 0.00 -1.18 0.00 0.00 32.58 27.25 3ha8 s HIS 199 CO 0.07 -2.92 0.96 1.52 -0.65 0.00 0.00 174.74 173.72 3ha8 s TYR 200 N 8.25 3.41 0.00 3.88 1.13 -1.26 -5.09 117.35 127.66 3ha8 s TYR 200 Ca 0.82 1.49 0.00 0.00 -1.41 0.00 0.00 57.07 57.97 3ha8 s TYR 200 Cb -0.21 -2.79 0.00 0.00 -1.10 0.00 0.00 41.96 37.86 3ha8 s TYR 200 CO 0.30 -0.27 0.00 0.27 -2.51 0.00 0.00 175.55 173.34 3ha8 n ASN 201 N -1.25 1.21 0.18 -0.18 0.23 -1.26 -5.03 115.26 109.16 3ha8 n ASN 201 Ca 0.06 -0.88 0.14 0.00 -0.53 0.00 0.00 54.58 53.37 3ha8 n ASN 201 Cb 0.54 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.78 3ha8 n ASN 201 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3ha8 h GLN 202 N 0.00 0.00 0.00 -3.83 3.07 -1.98 -2.94 115.11 109.42 3ha8 h GLN 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3ha8 h GLN 202 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3ha8 h GLN 202 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.83 179.17 3ha8 n THR 203 N -2.52 0.00 0.06 1.86 -2.24 -1.26 -2.34 114.28 107.84 3ha8 n THR 203 Ca 0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3ha8 n THR 203 Cb 0.27 -0.42 0.26 0.00 -2.10 0.00 0.00 70.33 68.35 3ha8 n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3ha8 h VAL 204 N 0.00 1.25 -0.06 2.28 -1.51 -1.90 -3.04 116.25 113.28 3ha8 h VAL 204 Ca 0.00 -1.18 -0.09 0.00 -1.23 0.00 0.00 66.70 64.20 3ha8 h VAL 204 Cb 0.00 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 3ha8 h VAL 204 CO 0.00 0.37 -0.40 0.44 -1.23 0.00 0.00 177.57 176.75 3ha8 h ASP 205 N 0.32 0.12 -0.57 4.19 3.32 -1.74 -2.84 116.42 119.21 3ha8 h ASP 205 Ca 0.05 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3ha8 h ASP 205 Cb 0.61 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3ha8 h ASP 205 CO 0.04 0.51 0.00 0.40 -1.72 0.00 0.00 179.24 178.48 3ha8 h ILE 206 N 0.10 1.26 -0.50 0.35 1.08 -1.70 -1.41 117.51 116.69 3ha8 h ILE 206 Ca 0.01 -1.12 0.07 0.00 -0.39 0.00 0.00 64.86 63.43 3ha8 h ILE 206 Cb 0.75 0.85 -0.06 0.00 -3.07 0.00 0.00 36.82 35.30 3ha8 h ILE 206 CO 0.06 0.40 0.17 -0.25 -0.69 0.00 0.00 178.15 177.85 3ha8 h TRP 207 N 0.89 0.31 -0.82 1.37 2.91 -1.47 -1.14 115.95 118.00 3ha8 h TRP 207 Ca 0.16 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.23 3ha8 h TRP 207 Cb 0.54 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.09 3ha8 h TRP 207 CO 0.04 0.09 0.54 0.77 -1.03 0.00 0.00 178.44 178.85 3ha8 h SER 208 N 0.35 0.91 -0.76 2.65 0.02 -1.24 -1.89 113.55 113.59 3ha8 h SER 208 Ca 0.24 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3ha8 h SER 208 Cb 0.27 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3ha8 h SER 208 CO -0.25 0.65 0.44 0.58 -1.14 0.00 0.00 176.83 177.10 3ha8 h VAL 209 N 1.07 1.22 -0.36 2.27 2.07 -0.79 -1.47 116.25 120.27 3ha8 h VAL 209 Ca 0.31 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3ha8 h VAL 209 Cb -0.07 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.84 3ha8 h VAL 209 CO -0.09 0.23 0.04 1.23 0.02 0.00 0.00 177.57 179.01 3ha8 h GLY 210 N 1.04 0.39 1.00 2.17 0.00 -0.61 0.21 103.07 107.27 3ha8 h GLY 210 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 3ha8 h GLY 210 CO -0.05 -0.05 0.36 0.00 0.00 0.00 0.00 176.54 176.80 3ha8 h ILE 212 N 0.82 1.17 -0.66 0.00 2.04 -0.92 -2.00 117.51 117.95 3ha8 h ILE 212 Ca 0.22 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.65 3ha8 h ILE 212 Cb -0.00 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3ha8 h ILE 212 CO -0.04 0.13 0.34 -0.03 0.00 0.00 0.00 178.15 178.56 3ha8 h MET 213 N -0.14 0.59 -0.37 2.37 4.05 -0.51 -0.67 114.93 120.26 3ha8 h MET 213 Ca 0.01 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3ha8 h MET 213 Cb 0.21 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3ha8 h MET 213 CO -0.00 0.39 0.18 0.00 0.23 0.00 0.00 176.91 177.72 3ha8 h ALA 214 N 1.37 0.48 -0.93 0.39 0.00 -1.29 -1.95 119.26 117.33 3ha8 h ALA 214 Ca 0.31 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3ha8 h ALA 214 Cb 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3ha8 h ALA 214 CO -0.22 0.03 0.61 1.49 0.00 0.00 0.00 179.25 181.16 3ha8 h GLU 215 N 0.46 1.17 -0.51 0.00 4.81 -0.77 0.06 114.58 119.81 3ha8 h GLU 215 Ca 0.13 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3ha8 h GLU 215 Cb 0.10 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3ha8 h GLU 215 CO -0.02 0.78 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.96 3ha8 h LEU 216 N 1.21 0.83 -0.03 1.64 3.38 -0.78 0.34 115.31 121.89 3ha8 h LEU 216 Ca 0.35 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3ha8 h LEU 216 Cb -0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3ha8 h LEU 216 CO -0.09 0.90 -0.22 -0.07 0.09 0.00 0.00 178.44 179.04 3ha8 h LEU 217 N 0.79 0.25 0.07 1.67 3.38 -0.75 -3.36 115.31 117.37 3ha8 h LEU 217 Ca 0.15 -0.69 -0.28 0.00 0.09 0.00 0.00 57.88 57.15 3ha8 h LEU 217 Cb 0.49 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3ha8 h LEU 217 CO 0.02 0.90 -1.46 0.71 0.09 0.00 0.00 178.44 178.70 3ha8 h THR 218 N -0.37 1.20 0.00 0.22 1.35 -1.05 -3.48 112.91 110.78 3ha8 h THR 218 Ca -0.02 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 3ha8 h THR 218 Cb 0.90 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 3ha8 h THR 218 CO 0.05 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 3ha8 n GLY 219 N 1.58 0.76 3.37 5.82 0.00 0.12 -5.07 105.19 111.78 3ha8 n GLY 219 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 3ha8 n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ha8 s ARG 220 N -0.70 1.38 0.26 1.61 1.81 -1.23 -4.98 118.95 117.09 3ha8 s ARG 220 Ca 0.00 -1.48 -0.31 0.00 -1.72 0.00 0.00 55.73 52.22 3ha8 s ARG 220 Cb 0.00 -1.51 -0.13 0.00 -0.45 0.00 0.00 34.95 32.86 3ha8 s ARG 220 CO 0.00 0.31 1.47 2.41 -0.68 0.00 0.00 175.30 178.81 3ha8 n THR 221 N 0.18 0.98 -0.04 0.02 -1.04 -1.26 -4.04 114.28 109.08 3ha8 n THR 221 Ca -0.12 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.05 61.50 3ha8 n THR 221 Cb 0.57 -1.64 -0.11 0.00 -1.82 0.00 0.00 70.33 67.33 3ha8 n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3ha8 h LEU 222 N 4.39 0.10 -6.52 -4.42 5.85 -1.91 -3.39 115.31 109.40 3ha8 h LEU 222 Ca -0.46 -0.73 -0.60 0.00 0.84 0.00 0.00 57.88 56.94 3ha8 h LEU 222 Cb 1.26 -0.03 -0.41 0.00 0.37 0.00 0.00 40.66 41.85 3ha8 h LEU 222 CO 0.77 0.81 -0.65 0.49 -0.34 0.00 0.00 178.44 179.51 3ha8 n PHE 223 N -4.65 2.87 -1.45 1.25 3.01 -1.26 -4.99 117.46 112.23 3ha8 n PHE 223 Ca -0.09 -4.11 -0.39 0.00 1.01 0.00 0.00 57.45 53.86 3ha8 n PHE 223 Cb 0.41 -0.51 -0.02 0.00 -0.01 0.00 0.00 39.48 39.34 3ha8 n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3ha8 n PRO 224 N 1.43 3.76 -1.80 -1.08 -0.04 -1.26 -4.61 135.00 131.40 3ha8 n PRO 224 Ca 0.25 -2.43 -0.39 0.00 -0.04 0.00 0.00 63.50 60.90 3ha8 n PRO 224 Cb 0.40 -2.82 0.02 0.00 -0.04 0.00 0.00 33.50 31.07 3ha8 n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ha8 s GLY 225 N 1.99 2.91 0.00 0.55 0.00 -1.26 -4.93 107.32 106.58 3ha8 s GLY 225 Ca 0.65 1.42 0.27 0.00 0.00 0.00 0.00 44.72 47.07 3ha8 s GLY 225 CO -0.07 2.01 1.63 -1.30 0.00 0.00 0.00 173.10 175.37 3ha8 n THR 226 N -0.44 0.00 -3.85 0.90 -2.24 -1.26 -4.40 114.28 102.99 3ha8 n THR 226 Ca 0.07 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3ha8 n THR 226 Cb 0.43 0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.97 3ha8 n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3ha8 s ASP 227 N -2.49 -0.03 0.25 3.42 1.47 -1.24 -3.28 116.67 114.77 3ha8 s ASP 227 Ca 0.25 -0.34 -0.04 0.00 1.18 0.00 0.00 52.55 53.60 3ha8 s ASP 227 Cb 0.19 0.29 0.40 0.00 -0.34 0.00 0.00 42.92 43.46 3ha8 s ASP 227 CO 0.51 -0.56 1.81 0.45 0.68 0.00 0.00 175.17 178.06 3ha8 h HIS 228 N 2.00 0.87 -0.05 2.11 3.86 -1.89 -0.40 115.15 121.64 3ha8 h HIS 228 Ca -0.26 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 58.87 3ha8 h HIS 228 Cb 1.20 -0.27 0.01 0.00 1.06 0.00 0.00 27.41 29.41 3ha8 h HIS 228 CO 1.04 0.36 -0.39 0.82 0.86 0.00 0.00 177.93 180.62 3ha8 h ILE 229 N 0.80 1.43 -0.60 2.45 1.08 -1.99 -1.98 117.51 118.70 3ha8 h ILE 229 Ca 0.40 -1.83 -0.02 0.00 -0.39 0.00 0.00 64.86 63.02 3ha8 h ILE 229 Cb 0.35 2.40 -0.03 0.00 -3.07 0.00 0.00 36.82 36.48 3ha8 h ILE 229 CO -0.24 0.53 0.28 -0.78 -0.69 0.00 0.00 178.15 177.24 3ha8 h ASP 230 N -0.15 0.77 -0.18 1.72 3.58 -1.91 -1.30 116.42 118.95 3ha8 h ASP 230 Ca -0.03 -0.08 -0.16 0.00 0.42 0.00 0.00 57.03 57.18 3ha8 h ASP 230 Cb 1.06 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 3ha8 h ASP 230 CO 0.08 0.66 -0.45 -0.61 -2.88 0.00 0.00 179.24 176.04 3ha8 h GLN 231 N 0.85 0.74 -0.61 0.28 4.15 -1.06 -2.01 115.11 117.44 3ha8 h GLN 231 Ca 0.21 -0.42 0.02 0.00 0.77 0.00 0.00 58.65 59.23 3ha8 h GLN 231 Cb 0.10 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 3ha8 h GLN 231 CO -0.03 1.04 0.39 1.25 -1.93 0.00 0.00 178.83 179.55 3ha8 h LEU 232 N 0.59 0.65 -0.83 -2.39 5.85 -0.95 -1.21 115.31 117.02 3ha8 h LEU 232 Ca 0.04 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ha8 h LEU 232 Cb 1.01 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3ha8 h LEU 232 CO 0.10 0.46 0.50 0.11 -0.34 0.00 0.00 178.44 179.27 3ha8 h LYS 233 N 0.78 1.13 -0.27 1.25 1.57 -1.06 -0.25 116.57 119.71 3ha8 h LYS 233 Ca 0.24 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3ha8 h LYS 233 Cb -0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3ha8 h LYS 233 CO -0.08 0.80 0.10 -0.07 -0.57 0.00 0.00 179.45 179.64 3ha8 h LEU 234 N 1.15 0.38 -0.18 2.94 3.38 -1.11 -1.55 115.31 120.32 3ha8 h LEU 234 Ca 0.30 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3ha8 h LEU 234 Cb -0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3ha8 h LEU 234 CO -0.06 0.46 -0.05 0.40 0.09 0.00 0.00 178.44 179.29 3ha8 h ILE 235 N 0.29 0.82 0.00 1.22 2.04 -0.84 -2.83 117.51 118.20 3ha8 h ILE 235 Ca 0.09 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.86 3ha8 h ILE 235 Cb 0.20 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3ha8 h ILE 235 CO -0.01 0.00 -0.42 -0.07 0.00 0.00 0.00 178.15 177.65 3ha8 h LEU 236 N -0.00 0.00 -1.65 1.44 3.38 -1.00 -0.13 115.31 117.35 3ha8 h LEU 236 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ha8 h LEU 236 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ha8 h LEU 236 CO -0.19 0.42 0.23 -0.09 0.09 0.00 0.00 178.44 178.91 3ha8 h ARG 237 N 0.00 0.46 0.04 1.13 9.65 -1.04 0.19 114.38 124.81 3ha8 h ARG 237 Ca -0.00 -0.03 -0.30 0.00 -1.10 0.00 0.00 59.98 58.54 3ha8 h ARG 237 Cb 0.94 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.38 3ha8 h ARG 237 CO 0.05 0.31 -1.66 -0.11 2.80 0.00 0.00 179.97 181.36 3ha8 n LEU 238 N -4.48 2.14 0.02 3.80 7.94 -0.81 -4.42 117.00 121.19 3ha8 n LEU 238 Ca 0.02 0.33 0.11 0.00 -1.11 0.00 0.00 56.01 55.36 3ha8 n LEU 238 Cb 0.06 -1.00 0.05 0.00 0.53 0.00 0.00 43.42 43.06 3ha8 n LEU 238 CO 0.35 0.50 0.07 1.33 -1.11 0.00 0.00 177.39 178.54 3ha8 n VAL 239 N -4.09 0.12 0.00 1.96 0.24 -0.13 -0.60 118.33 115.84 3ha8 n VAL 239 Ca -0.35 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 3ha8 n VAL 239 Cb 0.82 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 3ha8 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ha8 n GLY 240 N 1.41 0.52 3.81 7.63 0.00 0.65 -4.01 105.19 115.20 3ha8 n GLY 240 Ca 0.03 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 3ha8 n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ha8 s THR 241 N -2.88 3.90 0.43 2.61 -4.23 -0.93 -4.64 115.64 109.90 3ha8 s THR 241 Ca 0.00 0.79 -0.26 0.00 -1.18 0.00 0.00 61.69 61.05 3ha8 s THR 241 Cb 0.00 -3.39 -0.09 0.00 1.34 0.00 0.00 72.50 70.36 3ha8 s THR 241 CO 0.00 -0.63 1.46 -2.84 -0.54 0.00 0.00 174.62 172.07 3ha8 s PRO 242 N -4.41 3.78 0.97 3.99 0.02 -1.26 -4.86 135.00 133.22 3ha8 s PRO 242 Ca 0.61 2.49 -0.15 0.00 0.02 0.00 0.00 61.00 63.98 3ha8 s PRO 242 Cb -0.15 -2.73 0.22 0.00 0.02 0.00 0.00 34.50 31.85 3ha8 s PRO 242 CO 0.43 -0.77 1.31 0.20 -0.33 0.00 0.00 177.00 177.84 3ha8 s GLY 243 N -0.38 1.82 0.21 0.52 0.00 -1.26 -4.87 107.32 103.35 3ha8 s GLY 243 Ca 0.59 -1.42 -0.10 0.00 0.00 0.00 0.00 44.72 43.79 3ha8 s GLY 243 CO 0.59 -0.61 1.87 0.00 0.00 0.00 0.00 173.10 174.96 3ha8 h ALA 244 N -1.63 0.95 0.02 3.20 0.00 -2.00 -2.33 119.26 117.47 3ha8 h ALA 244 Ca -0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ha8 h ALA 244 Cb 1.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3ha8 h ALA 244 CO 0.32 0.33 -0.01 1.49 0.00 0.00 0.00 179.25 181.38 3ha8 h GLU 245 N 0.98 -0.02 -0.64 0.00 4.57 -2.01 -2.63 114.58 114.83 3ha8 h GLU 245 Ca 0.28 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 3ha8 h GLU 245 Cb -0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 3ha8 h GLU 245 CO -0.07 0.04 0.30 1.25 -1.18 0.00 0.00 179.01 179.35 3ha8 h LEU 246 N -0.07 0.81 -1.07 1.64 5.85 -1.92 -2.65 115.31 117.90 3ha8 h LEU 246 Ca -0.00 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3ha8 h LEU 246 Cb 0.07 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 3ha8 h LEU 246 CO 0.00 0.69 0.62 -0.07 -0.34 0.00 0.00 178.44 179.35 3ha8 h LEU 247 N 0.90 0.98 -0.86 2.25 3.38 -1.18 -2.14 115.31 118.63 3ha8 h LEU 247 Ca 0.22 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.25 3ha8 h LEU 247 Cb 0.09 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3ha8 h LEU 247 CO -0.03 0.62 0.54 0.11 0.09 0.00 0.00 178.44 179.77 3ha8 h LYS 248 N 1.11 0.97 0.00 1.13 1.79 -1.11 -2.68 116.57 117.78 3ha8 h LYS 248 Ca 0.42 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 3ha8 h LYS 248 Cb 0.19 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3ha8 h LYS 248 CO -0.16 0.64 0.00 0.87 -1.08 0.00 0.00 179.45 179.72 3ha8 h LYS 249 N 1.00 0.00 -6.16 3.15 1.57 -1.39 -3.40 116.57 111.34 3ha8 h LYS 249 Ca 0.36 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.60 3ha8 h LYS 249 Cb 0.12 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 3ha8 h LYS 249 CO -0.16 0.00 1.26 0.42 -0.57 0.00 0.00 179.45 180.40 3ha8 s ILE 250 N -3.36 3.76 0.23 1.86 1.01 -1.01 -4.78 121.20 118.91 3ha8 s ILE 250 Ca 0.05 -0.22 0.26 0.00 0.00 0.00 0.00 60.65 60.75 3ha8 s ILE 250 Cb 0.08 -4.84 0.27 0.00 0.01 0.00 0.00 42.46 37.99 3ha8 s ILE 250 CO 0.56 -1.75 1.92 0.77 0.00 0.00 0.00 174.94 176.44 3ha8 h SER 251 N 10.39 0.00 -2.82 3.58 4.64 -1.66 -3.42 113.55 124.26 3ha8 h SER 251 Ca -0.02 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.72 3ha8 h SER 251 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 3ha8 h SER 251 CO 1.34 0.17 1.20 -0.55 -0.87 0.00 0.00 176.83 178.12 3ha8 s SER 252 N -6.11 6.09 0.32 4.97 0.15 -1.00 -4.88 113.70 113.25 3ha8 s SER 252 Ca -0.01 1.28 0.05 0.00 0.70 0.00 0.00 55.95 57.97 3ha8 s SER 252 Cb 0.11 -2.53 0.56 0.00 -1.71 0.00 0.00 66.02 62.45 3ha8 s SER 252 CO 0.61 -1.55 1.81 -0.08 1.20 0.00 0.00 173.24 175.22 3ha8 h GLU 253 N 11.94 0.40 -0.15 5.44 4.57 -1.93 -1.05 114.58 133.80 3ha8 h GLU 253 Ca -0.32 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 3ha8 h GLU 253 Cb 1.15 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 3ha8 h GLU 253 CO 1.03 0.57 0.06 0.66 -1.18 0.00 0.00 179.01 180.15 3ha8 h SER 254 N 0.37 0.21 -0.18 1.04 4.64 -1.97 -2.19 113.55 115.46 3ha8 h SER 254 Ca 0.07 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3ha8 h SER 254 Cb 0.52 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3ha8 h SER 254 CO 0.03 0.31 -0.01 0.00 -0.87 0.00 0.00 176.83 176.30 3ha8 h ALA 255 N 0.90 0.25 -0.40 5.18 0.00 -1.86 -2.68 119.26 120.65 3ha8 h ALA 255 Ca 0.05 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ha8 h ALA 255 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3ha8 h ALA 255 CO -0.00 -0.02 0.22 -0.09 0.00 0.00 0.00 179.25 179.36 3ha8 h ARG 256 N 0.07 0.44 -0.67 0.00 2.43 -1.24 -1.47 114.38 113.94 3ha8 h ARG 256 Ca 0.05 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3ha8 h ARG 256 Cb 0.41 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3ha8 h ARG 256 CO 0.01 0.29 0.39 -0.97 -1.51 0.00 0.00 179.97 178.18 3ha8 h ASN 257 N 0.45 0.82 -0.17 -3.80 -0.73 -1.38 -2.56 115.58 108.22 3ha8 h ASN 257 Ca 0.16 -0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.23 3ha8 h ASN 257 Cb 0.03 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.41 3ha8 h ASN 257 CO -0.09 0.64 -0.07 0.22 -0.37 0.00 0.00 177.43 177.76 3ha8 h TYR 258 N 0.93 0.39 -0.64 0.67 3.20 -1.09 -3.23 116.97 117.21 3ha8 h TYR 258 Ca 0.24 -0.10 0.10 0.00 3.14 0.00 0.00 58.73 62.11 3ha8 h TYR 258 Cb -0.00 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.10 3ha8 h TYR 258 CO 0.00 0.65 0.26 0.82 -1.64 0.00 0.00 178.16 178.26 3ha8 h ILE 259 N 0.02 0.79 0.00 1.81 2.04 -1.06 -1.24 117.51 119.87 3ha8 h ILE 259 Ca 0.04 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3ha8 h ILE 259 Cb 0.54 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3ha8 h ILE 259 CO 0.02 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.26 3ha8 n GLN 260 N -4.96 0.13 0.22 2.37 6.02 -0.98 -1.65 117.38 118.52 3ha8 n GLN 260 Ca 0.09 0.49 0.12 0.00 -0.01 0.00 0.00 57.00 57.69 3ha8 n GLN 260 Cb 0.28 -1.81 0.23 0.00 1.02 0.00 0.00 30.24 29.96 3ha8 n GLN 260 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3ha8 h SER 261 N 0.00 0.00 -3.83 1.08 4.64 -1.24 -3.46 113.55 110.75 3ha8 h SER 261 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3ha8 h SER 261 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3ha8 h SER 261 CO 0.00 0.03 0.36 -0.76 -0.87 0.00 0.00 176.83 175.59 3ha8 s LEU 262 N -6.23 4.48 0.17 5.97 1.43 -0.66 -5.00 118.68 118.83 3ha8 s LEU 262 Ca 0.06 1.93 -0.32 0.00 -1.03 0.00 0.00 54.13 54.77 3ha8 s LEU 262 Cb 0.06 -3.82 -0.12 0.00 0.03 0.00 0.00 46.19 42.34 3ha8 s LEU 262 CO 0.66 -0.00 1.76 0.41 0.23 0.00 0.00 176.35 179.41 3ha8 n THR 263 N 0.97 0.15 -2.25 5.49 -1.04 -1.26 -4.94 114.28 111.40 3ha8 n THR 263 Ca 0.00 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.60 3ha8 n THR 263 Cb 0.48 -2.01 -0.02 0.00 -1.82 0.00 0.00 70.33 66.96 3ha8 n THR 263 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3ha8 s GLN 264 N 1.82 4.09 0.04 -2.82 -0.21 -1.26 -4.94 119.66 116.38 3ha8 s GLN 264 Ca 0.78 1.91 0.02 0.00 0.02 0.00 0.00 55.36 58.10 3ha8 s GLN 264 Cb -0.51 -2.74 -0.02 0.00 1.00 0.00 0.00 33.01 30.74 3ha8 s GLN 264 CO 0.35 -0.31 -0.08 -1.64 -2.12 0.00 0.00 175.29 171.49 3ha8 s MET 265 N -2.21 0.56 0.49 2.91 -1.94 -1.26 -4.98 119.30 112.87 3ha8 s MET 265 Ca 0.56 -0.69 -0.09 0.00 -1.71 0.00 0.00 55.69 53.76 3ha8 s MET 265 Cb -0.33 -0.39 -0.05 0.00 2.01 0.00 0.00 34.83 36.08 3ha8 s MET 265 CO 0.41 0.08 0.85 -1.25 -0.01 0.00 0.00 175.02 175.11 3ha8 s PRO 266 N -1.35 3.66 0.23 2.03 0.04 -1.26 -2.19 135.00 136.16 3ha8 s PRO 266 Ca -0.07 0.47 -0.31 0.00 0.04 0.00 0.00 61.00 61.13 3ha8 s PRO 266 Cb -0.09 -2.29 -0.12 0.00 0.04 0.00 0.00 34.50 32.04 3ha8 s PRO 266 CO 0.01 -0.24 1.69 0.21 0.04 0.00 0.00 177.00 178.70 3ha8 s LYS 267 N -4.50 4.13 0.54 4.56 2.20 -1.26 -3.99 119.74 121.42 3ha8 s LYS 267 Ca 0.51 2.59 -0.17 0.00 -0.36 0.00 0.00 55.97 58.54 3ha8 s LYS 267 Cb -0.10 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.09 3ha8 s LYS 267 CO 0.41 -0.72 1.03 -1.64 -0.36 0.00 0.00 175.35 174.07 3ha8 s MET 268 N 0.79 3.62 -0.37 4.03 -1.94 0.23 -4.91 119.30 120.76 3ha8 s MET 268 Ca 0.72 1.17 -0.29 0.00 -1.71 0.00 0.00 55.69 55.58 3ha8 s MET 268 Cb -0.49 -2.08 0.01 0.00 2.01 0.00 0.00 34.83 34.28 3ha8 s MET 268 CO 0.36 -0.56 1.31 1.21 -0.01 0.00 0.00 175.02 177.32 3ha8 s ASN 269 N -2.65 6.56 0.41 3.03 2.47 -1.26 -4.91 114.94 118.59 3ha8 s ASN 269 Ca 0.63 0.96 0.13 0.00 0.42 0.00 0.00 52.86 55.00 3ha8 s ASN 269 Cb -0.14 -2.54 0.88 0.00 -1.45 0.00 0.00 41.25 37.99 3ha8 s ASN 269 CO 0.31 -1.22 1.94 -0.26 -3.72 0.00 0.00 177.10 174.14 3ha8 h PHE 270 N 9.72 0.08 0.00 0.43 -1.00 -1.94 -1.41 116.94 122.82 3ha8 h PHE 270 Ca -0.26 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.50 3ha8 h PHE 270 Cb 1.09 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.63 3ha8 h PHE 270 CO 0.92 0.28 -0.06 0.00 -1.61 0.00 0.00 178.31 177.84 3ha8 h ALA 271 N 1.73 1.60 0.00 2.45 0.00 -1.91 -1.21 119.26 121.92 3ha8 h ALA 271 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ha8 h ALA 271 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ha8 h ALA 271 CO 0.03 0.08 -0.59 -0.91 0.00 0.00 0.00 179.25 177.86 3ha8 h ASN 272 N 0.00 0.00 0.00 0.00 2.35 -1.66 -3.36 115.58 112.90 3ha8 h ASN 272 Ca -0.00 -0.10 -0.22 0.00 -0.55 0.00 0.00 56.30 55.43 3ha8 h ASN 272 Cb 0.14 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 3ha8 h ASN 272 CO 0.01 0.05 -1.20 0.58 -1.65 0.00 0.00 177.43 175.22 3ha8 h VAL 273 N 0.00 0.91 -2.47 2.81 2.07 -1.28 -3.40 116.25 114.89 3ha8 h VAL 273 Ca 0.00 -2.14 -0.80 0.00 0.82 0.00 0.00 66.70 64.58 3ha8 h VAL 273 Cb 0.86 2.18 -0.25 0.00 -1.52 0.00 0.00 31.29 32.56 3ha8 h VAL 273 CO 0.00 0.31 1.12 0.49 0.02 0.00 0.00 177.57 179.51 3ha8 n PHE 274 N -4.44 2.43 -1.90 1.57 3.01 -0.53 -5.02 117.46 112.57 3ha8 n PHE 274 Ca -0.31 -2.61 -0.41 0.00 1.01 0.00 0.00 57.45 55.13 3ha8 n PHE 274 Cb 0.66 -1.39 -0.02 0.00 -0.01 0.00 0.00 39.48 38.72 3ha8 n PHE 274 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3ha8 s ILE 275 N -2.39 2.35 0.00 4.37 1.01 -1.26 -2.82 121.20 122.46 3ha8 s ILE 275 Ca 0.35 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.30 3ha8 s ILE 275 Cb 0.08 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3ha8 s ILE 275 CO 0.05 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.65 3ha8 n GLY 276 N 1.76 1.98 3.78 6.18 0.00 -1.26 -5.03 105.19 112.60 3ha8 n GLY 276 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3ha8 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha8 s ALA 277 N -2.62 2.51 -0.18 4.61 0.00 -1.13 -4.95 121.76 120.02 3ha8 s ALA 277 Ca 0.00 0.38 -0.35 0.00 0.00 0.00 0.00 51.96 52.00 3ha8 s ALA 277 Cb 0.00 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 3ha8 s ALA 277 CO 0.00 -1.27 1.96 -1.71 0.00 0.00 0.00 175.76 174.74 3ha8 n ASN 278 N -2.67 3.06 -0.27 0.00 2.85 -1.26 -4.86 115.26 112.11 3ha8 n ASN 278 Ca 0.09 0.81 0.28 0.00 -0.11 0.00 0.00 54.58 55.65 3ha8 n ASN 278 Cb 0.53 -1.34 0.65 0.00 1.24 0.00 0.00 39.78 40.86 3ha8 n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ha8 h PRO 279 N 10.14 0.14 -0.07 1.20 0.11 -1.98 0.36 132.00 141.91 3ha8 h PRO 279 Ca -0.44 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 3ha8 h PRO 279 Cb 1.28 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ha8 h PRO 279 CO 0.97 0.09 -0.58 -0.07 -0.21 0.00 0.00 178.00 178.19 3ha8 h LEU 280 N 0.15 0.25 -0.56 2.35 3.38 -1.99 -0.69 115.31 118.19 3ha8 h LEU 280 Ca 0.52 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 58.22 3ha8 h LEU 280 Cb 1.77 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 3ha8 h LEU 280 CO -0.10 0.78 -0.23 0.00 0.09 0.00 0.00 178.44 178.98 3ha8 h ALA 281 N 1.22 0.75 -0.45 1.53 0.00 -0.71 -2.02 119.26 119.59 3ha8 h ALA 281 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3ha8 h ALA 281 Cb 1.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3ha8 h ALA 281 CO 0.09 0.66 0.19 0.28 0.00 0.00 0.00 179.25 180.47 3ha8 h VAL 282 N 0.79 1.20 -0.12 0.00 2.07 -0.94 -1.41 116.25 117.83 3ha8 h VAL 282 Ca 0.10 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3ha8 h VAL 282 Cb 0.79 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3ha8 h VAL 282 CO 0.07 0.23 0.07 -0.78 0.02 0.00 0.00 177.57 177.17 3ha8 h ASP 283 N 0.58 0.14 -0.67 0.57 1.82 -1.07 -2.10 116.42 115.69 3ha8 h ASP 283 Ca 0.15 -0.06 0.02 0.00 -0.39 0.00 0.00 57.03 56.75 3ha8 h ASP 283 Cb 0.18 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.11 3ha8 h ASP 283 CO -0.01 0.16 0.42 0.25 -1.61 0.00 0.00 179.24 178.45 3ha8 h LEU 284 N 0.11 0.70 -1.08 2.28 5.85 -1.29 -2.10 115.31 119.78 3ha8 h LEU 284 Ca 0.04 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3ha8 h LEU 284 Cb 0.05 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3ha8 h LEU 284 CO -0.01 0.49 0.62 -0.07 -0.34 0.00 0.00 178.44 179.13 3ha8 h LEU 285 N 0.83 1.02 -1.41 2.25 3.38 -1.10 -1.49 115.31 118.80 3ha8 h LEU 285 Ca 0.26 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3ha8 h LEU 285 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3ha8 h LEU 285 CO -0.09 0.70 -0.30 -0.33 0.09 0.00 0.00 178.44 178.51 3ha8 h GLU 286 N 1.19 0.00 0.00 1.13 5.08 -0.72 0.42 114.58 121.68 3ha8 h GLU 286 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3ha8 h GLU 286 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ha8 h GLU 286 CO -0.12 0.30 -0.51 1.63 -1.00 0.00 0.00 179.01 179.31 3ha8 n LYS 287 N -4.15 0.17 -0.06 2.33 5.02 -0.81 -4.05 118.16 116.61 3ha8 n LYS 287 Ca -0.02 0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 56.12 3ha8 n LYS 287 Cb 0.34 -1.62 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 3ha8 n LYS 287 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3ha8 n MET 288 N -1.87 0.70 -1.41 1.97 2.81 -0.63 -1.41 117.12 117.28 3ha8 n MET 288 Ca 0.04 0.24 -0.28 0.00 -1.81 0.00 0.00 57.70 55.89 3ha8 n MET 288 Cb 0.40 -1.63 0.01 0.00 -0.71 0.00 0.00 33.22 31.28 3ha8 n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ha8 n LEU 289 N -3.51 6.87 -4.70 4.03 4.77 0.10 -4.27 117.00 120.28 3ha8 n LEU 289 Ca -0.38 -4.07 -0.40 0.00 -0.03 0.00 0.00 56.01 51.12 3ha8 n LEU 289 Cb 0.99 -1.12 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 3ha8 n LEU 289 CO 0.33 1.58 0.41 -0.69 -1.33 0.00 0.00 177.39 177.69 3ha8 s VAL 290 N -3.21 5.03 0.15 4.08 1.01 -1.26 -4.88 120.40 121.32 3ha8 s VAL 290 Ca 0.52 1.42 -0.17 0.00 0.00 0.00 0.00 61.98 63.74 3ha8 s VAL 290 Cb 0.38 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.75 3ha8 s VAL 290 CO -0.18 0.21 1.71 0.25 0.00 0.00 0.00 175.10 177.10 3ha8 h LEU 291 N 7.13 -0.09 -8.92 3.92 5.85 -1.90 -3.40 115.31 117.90 3ha8 h LEU 291 Ca -0.38 0.07 -0.57 0.00 0.84 0.00 0.00 57.88 57.83 3ha8 h LEU 291 Cb 1.18 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 3ha8 h LEU 291 CO 0.77 -0.01 1.03 -0.62 -0.34 0.00 0.00 178.44 179.26 3ha8 s ASP 292 N -5.26 6.52 0.56 1.25 3.68 -1.26 -4.90 116.67 117.25 3ha8 s ASP 292 Ca -0.13 1.17 0.28 0.00 2.13 0.00 0.00 52.55 55.99 3ha8 s ASP 292 Cb 0.12 -2.54 1.64 0.00 -1.45 0.00 0.00 42.92 40.69 3ha8 s ASP 292 CO 0.70 -1.22 2.18 0.77 0.13 0.00 0.00 175.17 177.73 3ha8 h SER 293 N 9.97 0.00 0.29 -0.34 4.64 -1.96 -1.22 113.55 124.93 3ha8 h SER 293 Ca -0.28 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 3ha8 h SER 293 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3ha8 h SER 293 CO 1.04 0.05 -0.26 0.44 -0.87 0.00 0.00 176.83 177.23 3ha8 h ASP 294 N 0.00 0.00 -0.01 4.97 3.45 -1.94 -3.10 116.42 119.78 3ha8 h ASP 294 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3ha8 h ASP 294 Cb 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3ha8 h ASP 294 CO 0.01 0.26 -0.18 0.29 -1.57 0.00 0.00 179.24 178.05 3ha8 n LYS 295 N -4.17 1.84 -2.20 3.56 5.02 -0.47 -4.96 118.16 116.78 3ha8 n LYS 295 Ca -0.02 -1.49 -0.37 0.00 -2.02 0.00 0.00 58.31 54.40 3ha8 n LYS 295 Cb 0.32 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3ha8 n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ha8 s ARG 296 N -2.19 3.73 0.46 1.97 0.52 -1.17 -4.97 118.95 117.30 3ha8 s ARG 296 Ca 0.25 1.84 -0.24 0.00 -0.52 0.00 0.00 55.73 57.06 3ha8 s ARG 296 Cb 0.19 -2.43 -0.07 0.00 0.52 0.00 0.00 34.95 33.16 3ha8 s ARG 296 CO 0.41 -0.60 1.32 -1.50 0.02 0.00 0.00 175.30 174.95 3ha8 s ILE 297 N -1.50 2.44 0.59 1.52 2.07 -0.50 -5.04 121.20 120.79 3ha8 s ILE 297 Ca 0.64 0.37 -0.02 0.00 -1.41 0.00 0.00 60.65 60.22 3ha8 s ILE 297 Cb -0.30 -3.20 0.03 0.00 0.13 0.00 0.00 42.46 39.12 3ha8 s ILE 297 CO 0.37 0.03 0.85 0.42 -1.91 0.00 0.00 174.94 174.69 3ha8 s THR 298 N -1.31 2.87 0.08 4.00 -4.23 -1.26 -4.91 115.64 110.89 3ha8 s THR 298 Ca 0.63 -0.44 -0.24 0.00 -1.18 0.00 0.00 61.69 60.46 3ha8 s THR 298 Cb -0.38 -3.13 -0.15 0.00 1.34 0.00 0.00 72.50 70.17 3ha8 s THR 298 CO 0.48 -0.11 1.71 0.00 -0.54 0.00 0.00 174.62 176.16 3ha8 h ALA 299 N -0.11 -0.06 -1.00 3.99 0.00 -1.94 0.72 119.26 120.85 3ha8 h ALA 299 Ca -0.44 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.53 3ha8 h ALA 299 Cb 1.29 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 3ha8 h ALA 299 CO 0.56 -0.52 0.64 0.00 0.00 0.00 0.00 179.25 179.93 3ha8 h ALA 300 N 0.87 1.43 -0.21 0.00 0.00 -1.93 -0.92 119.26 118.51 3ha8 h ALA 300 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3ha8 h ALA 300 Cb 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ha8 h ALA 300 CO 0.01 0.37 -0.62 1.96 0.00 0.00 0.00 179.25 180.97 3ha8 h GLN 301 N 1.12 0.72 0.00 0.00 4.20 -1.93 -3.26 115.11 115.96 3ha8 h GLN 301 Ca 0.45 -0.50 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3ha8 h GLN 301 Cb 0.27 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3ha8 h GLN 301 CO -0.20 1.12 -0.36 0.00 -0.67 0.00 0.00 178.83 178.72 3ha8 h ALA 302 N 0.76 1.37 -0.06 3.87 0.00 0.15 -2.48 119.26 122.87 3ha8 h ALA 302 Ca -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3ha8 h ALA 302 Cb 1.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3ha8 h ALA 302 CO 0.13 0.44 -0.05 -0.07 0.00 0.00 0.00 179.25 179.70 3ha8 h LEU 303 N 0.00 0.07 -0.98 0.00 3.38 -1.25 -2.54 115.31 113.99 3ha8 h LEU 303 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ha8 h LEU 303 Cb 0.65 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3ha8 h LEU 303 CO 0.05 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3ha8 n ALA 304 N -2.52 2.56 -1.77 1.53 0.00 -0.93 -4.77 120.51 114.61 3ha8 n ALA 304 Ca -0.02 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.55 3ha8 n ALA 304 Cb 0.16 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 3ha8 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ha8 s HIS 305 N -1.93 3.06 -0.21 0.00 5.04 -0.96 -4.90 115.29 115.39 3ha8 s HIS 305 Ca 0.36 1.44 0.22 0.00 -1.54 0.00 0.00 55.06 55.54 3ha8 s HIS 305 Cb 0.20 -3.63 1.17 0.00 0.04 0.00 0.00 32.58 30.36 3ha8 s HIS 305 CO 0.31 -1.76 1.67 0.00 -2.34 0.00 0.00 174.74 172.62 3ha8 n ALA 306 N 0.69 1.07 0.31 1.58 0.00 -1.26 -1.52 120.51 121.37 3ha8 n ALA 306 Ca 0.01 0.20 0.20 0.00 0.00 0.00 0.00 53.44 53.84 3ha8 n ALA 306 Cb 0.43 -1.32 0.93 0.00 0.00 0.00 0.00 19.45 19.48 3ha8 n ALA 306 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3ha8 h TYR 307 N 0.00 0.00 -0.27 0.00 3.20 -1.90 -2.87 116.97 115.13 3ha8 h TYR 307 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ha8 h TYR 307 Cb 0.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3ha8 h TYR 307 CO 0.00 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.71 3ha8 n PHE 308 N -3.10 0.45 0.11 -3.82 3.01 -0.58 -4.75 117.46 108.78 3ha8 n PHE 308 Ca -0.01 -0.58 0.19 0.00 1.01 0.00 0.00 57.45 58.06 3ha8 n PHE 308 Cb 0.20 -0.08 0.66 0.00 -0.01 0.00 0.00 39.48 40.25 3ha8 n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ha8 h ALA 309 N 1.59 2.08 0.00 4.37 0.00 -1.62 0.47 119.26 126.16 3ha8 h ALA 309 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3ha8 h ALA 309 Cb 0.82 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3ha8 h ALA 309 CO 0.04 -0.80 -0.84 0.37 0.00 0.00 0.00 179.25 178.02 3ha8 h GLN 310 N 0.00 0.00 0.00 0.00 4.15 -1.86 -3.37 115.11 114.04 3ha8 h GLN 310 Ca 0.19 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.38 3ha8 h GLN 310 Cb 1.38 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.03 3ha8 h GLN 310 CO -0.00 0.83 -1.95 0.66 -1.93 0.00 0.00 178.83 176.43 3ha8 n TYR 311 N -3.30 0.00 -1.68 3.99 4.02 0.12 -5.02 117.16 115.28 3ha8 n TYR 311 Ca 0.01 0.00 -0.49 0.00 -0.01 0.00 0.00 57.90 57.41 3ha8 n TYR 311 Cb 0.87 -0.67 -0.05 0.00 -0.02 0.00 0.00 39.34 39.47 3ha8 n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3ha8 n HIS 312 N -2.48 2.28 -3.58 -0.72 -0.00 0.12 -4.97 115.22 105.87 3ha8 n HIS 312 Ca -0.21 0.10 -0.29 0.00 0.46 0.00 0.00 57.72 57.77 3ha8 n HIS 312 Cb 0.90 -2.62 -0.14 0.00 -0.12 0.00 0.00 29.99 28.02 3ha8 n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3ha8 s ASP 313 N 3.52 3.45 0.65 0.26 3.68 -1.26 -4.97 116.67 122.00 3ha8 s ASP 313 Ca 0.91 -1.92 0.38 0.00 2.13 0.00 0.00 52.55 54.05 3ha8 s ASP 313 Cb -0.73 -0.59 2.09 0.00 -1.45 0.00 0.00 42.92 42.24 3ha8 s ASP 313 CO 0.51 -0.36 2.22 1.55 0.13 0.00 0.00 175.17 179.23 3ha8 h PRO 314 N 7.54 0.00 -0.01 4.34 0.13 -1.97 0.16 132.00 142.20 3ha8 h PRO 314 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3ha8 h PRO 314 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3ha8 h PRO 314 CO 0.39 0.00 -0.38 -0.25 -0.23 0.00 0.00 178.00 177.53 3ha8 n ASP 315 N -3.21 0.88 -1.22 1.44 10.43 -1.26 -4.24 116.55 119.37 3ha8 n ASP 315 Ca -0.02 -0.69 -0.00 0.00 2.57 0.00 0.00 54.79 56.64 3ha8 n ASP 315 Cb 0.18 0.22 0.12 0.00 1.84 0.00 0.00 41.12 43.48 3ha8 n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3ha8 n ASP 316 N -0.95 2.10 -3.37 -2.24 2.03 0.54 -4.81 116.55 109.86 3ha8 n ASP 316 Ca 0.09 -3.31 -0.26 0.00 0.52 0.00 0.00 54.79 51.84 3ha8 n ASP 316 Cb 0.35 -0.44 -0.08 0.00 -0.72 0.00 0.00 41.12 40.23 3ha8 n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ha8 n GLU 317 N -0.64 1.94 -1.43 -0.67 1.02 -1.13 -4.90 120.64 114.83 3ha8 n GLU 317 Ca 0.20 -4.22 -0.31 0.00 -0.02 0.00 0.00 57.16 52.81 3ha8 n GLU 317 Cb 0.85 -1.94 0.07 0.00 -0.02 0.00 0.00 31.44 30.40 3ha8 n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3ha8 s PRO 318 N -2.04 2.60 0.56 3.49 0.04 -1.26 -4.99 135.00 133.40 3ha8 s PRO 318 Ca 0.38 1.07 0.08 0.00 0.04 0.00 0.00 61.00 62.57 3ha8 s PRO 318 Cb 0.15 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.81 3ha8 s PRO 318 CO -0.05 -1.37 0.63 0.14 0.04 0.00 0.00 177.00 176.40 3ha8 s VAL 319 N -2.96 1.98 0.15 -0.36 -7.23 -1.26 -4.40 120.40 106.33 3ha8 s VAL 319 Ca 0.60 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 59.60 3ha8 s VAL 319 Cb -0.16 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3ha8 s VAL 319 CO 0.55 0.00 0.29 0.00 -0.31 0.00 0.00 175.10 175.64 3ha8 s ALA 320 N -2.70 3.96 0.80 1.32 0.00 -1.26 -5.02 121.76 118.86 3ha8 s ALA 320 Ca 0.51 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 3ha8 s ALA 320 Cb -0.04 -1.80 0.08 0.00 0.00 0.00 0.00 23.12 21.35 3ha8 s ALA 320 CO 0.32 0.53 1.12 -0.51 0.00 0.00 0.00 175.76 177.22 3ha8 s ASP 321 N -3.23 4.02 0.02 0.00 1.01 -1.26 -4.82 116.67 112.41 3ha8 s ASP 321 Ca 0.35 2.02 -0.35 0.00 0.71 0.00 0.00 52.55 55.29 3ha8 s ASP 321 Cb -0.11 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.14 3ha8 s ASP 321 CO 0.29 -2.36 1.69 -2.65 0.21 0.00 0.00 175.17 172.34 3ha8 n PRO 322 N -3.53 1.99 -3.39 8.23 -0.02 -1.26 -4.81 135.00 132.21 3ha8 n PRO 322 Ca 0.11 0.72 -0.44 0.00 -2.02 0.00 0.00 63.50 61.87 3ha8 n PRO 322 Cb 0.52 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 3ha8 n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3ha8 s TYR 323 N 2.37 3.26 -0.54 6.00 5.04 -1.26 -5.02 117.35 127.20 3ha8 s TYR 323 Ca 0.87 -1.12 -0.27 0.00 -2.44 0.00 0.00 57.07 54.10 3ha8 s TYR 323 Cb -0.74 -3.36 -0.01 0.00 0.35 0.00 0.00 41.96 38.20 3ha8 s TYR 323 CO 0.46 -0.88 1.76 0.34 -1.34 0.00 0.00 175.55 175.89 3ha8 s ASP 324 N 2.87 5.59 0.00 4.32 -1.08 -1.26 -4.81 116.67 122.29 3ha8 s ASP 324 Ca 0.04 0.55 0.13 0.00 -0.52 0.00 0.00 52.55 52.75 3ha8 s ASP 324 Cb -0.26 -2.53 0.24 0.00 -1.46 0.00 0.00 42.92 38.91 3ha8 s ASP 324 CO 0.05 -2.09 1.12 1.67 0.52 0.00 0.00 175.17 176.44 3ha8 n GLN 325 N 8.90 1.92 0.10 4.34 7.27 -1.26 -4.63 117.38 134.01 3ha8 n GLN 325 Ca 0.19 -1.75 0.08 0.00 0.07 0.00 0.00 57.00 55.59 3ha8 n GLN 325 Cb 0.50 -1.29 0.39 0.00 2.41 0.00 0.00 30.24 32.26 3ha8 n GLN 325 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3ha8 n SER 326 N 0.72 0.38 0.30 1.69 3.41 -1.26 -2.09 113.62 116.77 3ha8 n SER 326 Ca 0.11 0.65 0.19 0.00 -0.26 0.00 0.00 58.87 59.55 3ha8 n SER 326 Cb 0.40 -0.71 0.94 0.00 -0.26 0.00 0.00 64.21 64.58 3ha8 n SER 326 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 3ha8 h PHE 327 N 0.00 0.00 -0.53 7.33 -5.15 -1.99 -3.07 116.94 113.53 3ha8 h PHE 327 Ca 0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3ha8 h PHE 327 Cb 0.11 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.25 3ha8 h PHE 327 CO 0.00 0.03 0.32 0.93 -2.00 0.00 0.00 178.31 177.58 3ha8 h GLU 328 N 0.00 0.72 0.00 6.09 4.39 -1.82 -1.86 114.58 122.10 3ha8 h GLU 328 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3ha8 h GLU 328 Cb 0.23 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3ha8 h GLU 328 CO 0.00 0.51 0.00 0.77 -1.16 0.00 0.00 179.01 179.13 3ha8 h SER 329 N 0.73 0.00 -3.58 1.42 0.02 -1.79 -3.46 113.55 106.89 3ha8 h SER 329 Ca 0.19 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.63 3ha8 h SER 329 Cb -0.02 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.54 3ha8 h SER 329 CO -0.04 0.00 0.53 -0.60 -1.14 0.00 0.00 176.83 175.59 3ha8 s ARG 330 N -3.49 4.53 -0.48 3.45 3.52 -0.70 -5.01 118.95 120.76 3ha8 s ARG 330 Ca 0.03 1.85 -0.02 0.00 -0.13 0.00 0.00 55.73 57.47 3ha8 s ARG 330 Cb 0.09 -3.23 0.13 0.00 -1.56 0.00 0.00 34.95 30.38 3ha8 s ARG 330 CO 0.53 -0.00 0.27 0.16 -0.81 0.00 0.00 175.30 175.45 3ha8 s ASP 331 N -0.15 5.12 0.43 -2.12 -4.77 -1.26 -5.08 116.67 108.83 3ha8 s ASP 331 Ca 0.50 -2.40 0.07 0.00 -3.30 0.00 0.00 52.55 47.42 3ha8 s ASP 331 Cb -0.32 -1.80 -0.04 0.00 -1.09 0.00 0.00 42.92 39.67 3ha8 s ASP 331 CO 0.38 -0.44 0.21 -0.76 0.70 0.00 0.00 175.17 175.26 3ha8 s LEU 332 N 0.59 3.07 0.54 2.11 1.43 -1.26 -5.15 118.68 120.03 3ha8 s LEU 332 Ca 0.12 -1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 52.10 3ha8 s LEU 332 Cb -0.22 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.56 3ha8 s LEU 332 CO -0.04 -0.62 0.82 -0.76 0.23 0.00 0.00 176.35 175.98 3ha8 s LEU 333 N -3.96 3.37 0.17 1.79 1.43 -1.26 -4.92 118.68 115.29 3ha8 s LEU 333 Ca 0.40 0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 53.87 3ha8 s LEU 333 Cb 0.03 -3.41 0.09 0.00 0.03 0.00 0.00 46.19 42.92 3ha8 s LEU 333 CO 0.22 -0.95 1.64 0.40 0.23 0.00 0.00 176.35 177.90 3ha8 h ILE 334 N 0.02 0.46 -0.24 -0.59 2.04 -1.93 -1.71 117.51 115.56 3ha8 h ILE 334 Ca -0.46 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.41 3ha8 h ILE 334 Cb 1.26 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3ha8 h ILE 334 CO 0.59 0.00 0.16 0.44 0.00 0.00 0.00 178.15 179.34 3ha8 h ASP 335 N -0.12 0.27 -0.02 1.72 3.32 -1.96 -1.48 116.42 118.15 3ha8 h ASP 335 Ca 0.18 -0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.97 3ha8 h ASP 335 Cb 0.40 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.90 3ha8 h ASP 335 CO -0.44 0.19 -1.01 -0.33 -1.72 0.00 0.00 179.24 175.93 3ha8 h GLU 336 N 0.31 0.71 -0.21 3.56 5.08 -1.72 -0.43 114.58 121.89 3ha8 h GLU 336 Ca 0.09 -0.74 -0.02 0.00 -1.00 0.00 0.00 59.36 57.69 3ha8 h GLU 336 Cb -0.02 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3ha8 h GLU 336 CO -0.02 1.32 0.06 -1.49 -1.00 0.00 0.00 179.01 177.88 3ha8 h TRP 337 N 0.40 0.34 -0.98 4.33 4.06 -1.17 -1.91 115.95 121.02 3ha8 h TRP 337 Ca -0.12 -0.04 0.04 0.00 2.06 0.00 0.00 58.89 60.83 3ha8 h TRP 337 Cb 1.66 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 29.66 3ha8 h TRP 337 CO 0.10 0.43 0.64 -0.22 -3.56 0.00 0.00 178.44 175.83 3ha8 h LYS 338 N 0.16 1.18 -0.44 0.49 3.64 -1.28 0.24 116.57 120.57 3ha8 h LYS 338 Ca 0.07 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3ha8 h LYS 338 Cb 0.25 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3ha8 h LYS 338 CO -0.00 0.78 -0.07 1.03 -2.27 0.00 0.00 179.45 178.92 3ha8 h SER 339 N 1.22 0.83 -0.40 4.20 0.87 -1.00 -0.44 113.55 118.82 3ha8 h SER 339 Ca 0.39 -0.35 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 3ha8 h SER 339 Cb 0.03 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3ha8 h SER 339 CO -0.13 0.98 0.09 -0.07 -0.53 0.00 0.00 176.83 177.17 3ha8 h LEU 340 N 0.67 0.68 0.12 2.23 4.07 -0.74 -1.13 115.31 121.21 3ha8 h LEU 340 Ca 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3ha8 h LEU 340 Cb 0.60 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3ha8 h LEU 340 CO 0.04 0.70 -0.06 0.74 -1.08 0.00 0.00 178.44 178.77 3ha8 h THR 341 N 0.70 0.95 -0.77 0.22 2.02 -0.31 -2.54 112.91 113.19 3ha8 h THR 341 Ca 0.15 -0.28 0.09 0.00 0.77 0.00 0.00 66.41 67.14 3ha8 h THR 341 Cb 0.30 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.78 3ha8 h THR 341 CO 0.00 0.07 0.43 0.22 0.37 0.00 0.00 175.52 176.61 3ha8 h TYR 342 N -0.29 0.77 -0.37 3.16 3.20 -0.81 0.01 116.97 122.63 3ha8 h TYR 342 Ca -0.02 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.96 3ha8 h TYR 342 Cb 0.24 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.20 3ha8 h TYR 342 CO -0.03 0.32 -0.15 -0.44 -1.64 0.00 0.00 178.16 176.23 3ha8 h ASP 343 N 0.73 -0.51 0.23 -2.11 5.19 -1.13 -1.24 116.42 117.58 3ha8 h ASP 343 Ca 0.37 0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 56.84 3ha8 h ASP 343 Cb 0.32 0.29 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 3ha8 h ASP 343 CO -0.24 -0.18 -0.29 -0.33 -3.12 0.00 0.00 179.24 175.08 3ha8 h GLU 344 N -0.07 0.11 0.43 3.56 4.39 -0.64 -0.70 114.58 121.65 3ha8 h GLU 344 Ca 0.18 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 3ha8 h GLU 344 Cb 0.35 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3ha8 h GLU 344 CO -0.42 0.39 -0.21 0.28 -1.16 0.00 0.00 179.01 177.89 3ha8 h VAL 345 N 0.10 0.54 0.00 3.13 2.07 -0.43 -3.09 116.25 118.56 3ha8 h VAL 345 Ca 0.01 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3ha8 h VAL 345 Cb 0.57 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3ha8 h VAL 345 CO 0.04 0.06 0.00 0.16 0.02 0.00 0.00 177.57 177.85 3ha8 h ILE 346 N -0.80 0.00 -0.00 4.57 -2.65 -1.10 -2.83 117.51 114.70 3ha8 h ILE 346 Ca -0.06 -0.59 0.00 0.00 1.03 0.00 0.00 64.86 65.24 3ha8 h ILE 346 Cb 0.55 1.56 0.00 0.00 -2.05 0.00 0.00 36.82 36.88 3ha8 h ILE 346 CO 0.10 0.00 -0.16 -1.54 0.03 0.00 0.00 178.15 176.58 3ha8 n SER 347 N -2.96 0.41 -4.70 2.16 3.41 -0.28 -4.92 113.62 106.74 3ha8 n SER 347 Ca 0.02 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.86 3ha8 n SER 347 Cb 0.35 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 3ha8 n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3ha8 s PHE 348 N -2.65 2.75 -0.18 7.33 5.36 -1.07 -5.01 117.98 124.51 3ha8 s PHE 348 Ca 0.23 0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 56.70 3ha8 s PHE 348 Cb 0.19 -3.91 -0.01 0.00 -0.34 0.00 0.00 43.02 38.96 3ha8 s PHE 348 CO 0.52 -3.49 -0.08 0.08 -1.46 0.00 0.00 175.22 170.79 3ha8 s VAL 349 N 1.94 3.22 0.78 3.12 1.01 -1.26 -5.05 120.40 124.16 3ha8 s VAL 349 Ca 0.71 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 3ha8 s VAL 349 Cb -0.40 -2.42 0.07 0.00 0.00 0.00 0.00 36.38 33.63 3ha8 s VAL 349 CO 0.31 0.47 1.14 -2.16 0.00 0.00 0.00 175.10 174.86 3ha8 s PRO 350 N 1.00 1.97 0.74 2.72 0.04 -1.26 -5.00 135.00 135.21 3ha8 s PRO 350 Ca -0.01 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 62.34 3ha8 s PRO 350 Cb -0.15 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.60 3ha8 s PRO 350 CO -0.01 -1.90 1.20 -2.14 0.04 0.00 0.00 177.00 174.19 3ha8 s PRO 351 N -4.46 2.06 0.00 0.56 0.02 -1.26 -5.16 135.00 126.76 3ha8 s PRO 351 Ca 0.67 1.73 0.28 0.00 0.02 0.00 0.00 61.00 63.70 3ha8 s PRO 351 Cb -0.22 -1.83 1.05 0.00 0.02 0.00 0.00 34.50 33.52 3ha8 s PRO 351 CO 0.51 -1.89 1.74 -0.35 -0.33 0.00 0.00 177.00 176.69