#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxs s SER 8 N 0.00 -0.29 0.36 1.61 1.04 -1.26 -5.17 113.70 110.00 2hxs s SER 8 Ca 0.00 0.56 0.08 0.00 0.48 0.00 0.00 55.95 57.08 2hxs s SER 8 Cb 0.00 0.57 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 2hxs s SER 8 CO 0.00 -0.10 0.06 -1.38 0.98 0.00 0.00 173.24 172.80 2hxs s HIS 9 N 0.15 2.57 0.47 5.02 0.00 -1.26 -5.10 115.29 117.13 2hxs s HIS 9 Ca -0.00 -0.49 -0.24 0.00 -3.00 0.00 0.00 55.06 51.33 2hxs s HIS 9 Cb -0.02 -1.63 -0.07 0.00 -4.00 0.00 0.00 32.58 26.86 2hxs s HIS 9 CO 0.00 0.40 1.35 1.41 -1.00 0.00 0.00 174.74 176.91 2hxs s MET 10 N -3.76 3.61 -0.36 -0.38 1.75 -1.26 -4.98 119.30 113.92 2hxs s MET 10 Ca 0.36 2.24 -0.15 0.00 -1.25 0.00 0.00 55.69 56.89 2hxs s MET 10 Cb 0.02 -2.55 -0.00 0.00 2.84 0.00 0.00 34.83 35.13 2hxs s MET 10 CO 0.20 -0.81 0.37 0.50 -0.65 0.00 0.00 175.02 174.63 2hxs s ARG 11 N -2.55 3.44 -0.04 4.11 3.52 -1.26 -5.05 118.95 121.12 2hxs s ARG 11 Ca 0.63 -0.52 0.05 0.00 -0.13 0.00 0.00 55.73 55.76 2hxs s ARG 11 Cb -0.40 -3.84 -0.01 0.00 -1.56 0.00 0.00 34.95 29.14 2hxs s ARG 11 CO 0.50 -0.59 -0.20 -1.14 -0.81 0.00 0.00 175.30 173.06 2hxs s GLN 12 N 2.01 1.97 -0.09 5.12 0.74 -1.26 -0.66 119.66 127.49 2hxs s GLN 12 Ca 0.11 -0.71 0.05 0.00 0.05 0.00 0.00 55.36 54.85 2hxs s GLN 12 Cb -0.17 -1.73 -0.00 0.00 1.10 0.00 0.00 33.01 32.21 2hxs s GLN 12 CO 0.12 0.32 -0.24 -0.51 -0.55 0.00 0.00 175.29 174.43 2hxs s LEU 13 N -0.12 2.06 -0.18 3.68 1.43 -0.12 -4.96 118.68 120.47 2hxs s LEU 13 Ca -0.01 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.39 2hxs s LEU 13 Cb -0.11 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 2hxs s LEU 13 CO 0.02 0.18 0.40 -0.75 0.23 0.00 0.00 176.35 176.43 2hxs s LYS 14 N 0.21 4.22 -0.09 1.70 2.20 -1.26 -0.53 119.74 126.19 2hxs s LYS 14 Ca -0.14 0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 2hxs s LYS 14 Cb -0.17 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.67 2hxs s LYS 14 CO 0.07 0.04 -0.14 0.42 -0.36 0.00 0.00 175.35 175.38 2hxs s ILE 15 N 1.06 1.36 0.00 5.43 1.01 -0.20 -0.67 121.20 129.20 2hxs s ILE 15 Ca 0.20 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2hxs s ILE 15 Cb -0.15 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2hxs s ILE 15 CO 0.08 0.41 0.02 0.54 0.00 0.00 0.00 174.94 175.99 2hxs s VAL 16 N 0.89 4.27 -0.27 2.92 0.11 -0.56 -1.00 120.40 126.76 2hxs s VAL 16 Ca -0.09 -0.59 -0.03 0.00 -2.93 0.00 0.00 61.98 58.34 2hxs s VAL 16 Cb -0.15 -2.92 0.03 0.00 -1.53 0.00 0.00 36.38 31.80 2hxs s VAL 16 CO 0.00 0.35 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.43 2hxs s VAL 17 N -1.13 3.19 0.32 2.04 1.01 -0.37 -0.75 120.40 124.71 2hxs s VAL 17 Ca 0.21 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.26 2hxs s VAL 17 Cb -0.12 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 2hxs s VAL 17 CO 0.12 0.10 0.06 -0.76 0.00 0.00 0.00 175.10 174.62 2hxs s LEU 18 N 1.36 3.17 0.00 3.92 1.43 0.07 -3.51 118.68 125.12 2hxs s LEU 18 Ca -0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2hxs s LEU 18 Cb -0.17 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2hxs s LEU 18 CO -0.02 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 176.98 2hxs n GLY 19 N -1.02 2.54 3.75 -3.19 0.00 -1.26 -1.05 105.19 104.96 2hxs n GLY 19 Ca -0.04 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 2hxs n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hxs s ASP 20 N 0.00 4.55 0.49 1.61 1.11 -1.26 -4.96 116.67 118.21 2hxs s ASP 20 Ca 0.00 2.00 -0.23 0.00 0.18 0.00 0.00 52.55 54.51 2hxs s ASP 20 Cb 0.00 -2.55 -0.08 0.00 1.07 0.00 0.00 42.92 41.37 2hxs s ASP 20 CO 0.00 -2.01 1.15 0.61 1.18 0.00 0.00 175.17 176.11 2hxs n GLY 21 N -0.57 0.21 2.39 0.21 0.00 -1.26 -2.65 105.19 103.51 2hxs n GLY 21 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2hxs n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hxs n ALA 22 N -0.82 0.00 0.21 4.61 0.00 -1.26 -4.90 120.51 118.35 2hxs n ALA 22 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.64 2hxs n ALA 22 Cb 0.42 -0.21 0.19 0.00 0.00 0.00 0.00 19.45 19.85 2hxs n ALA 22 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hxs h SER 23 N 0.00 0.00 0.00 0.00 4.64 -1.86 -3.46 113.55 112.86 2hxs h SER 23 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hxs h SER 23 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2hxs h SER 23 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 2hxs n GLY 24 N 1.02 1.65 0.04 -0.77 0.00 -1.26 -4.20 105.19 101.67 2hxs n GLY 24 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2hxs n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hxs h LYS 25 N 0.00 0.00 -0.16 1.61 1.57 -1.91 0.45 116.57 118.14 2hxs h LYS 25 Ca 0.00 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2hxs h LYS 25 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2hxs h LYS 25 CO 0.00 0.02 -0.46 1.15 -0.57 0.00 0.00 179.45 179.58 2hxs h THR 26 N -0.02 1.32 -0.70 -0.16 2.02 -1.97 -1.04 112.91 112.37 2hxs h THR 26 Ca 0.00 -1.67 -0.03 0.00 0.77 0.00 0.00 66.41 65.49 2hxs h THR 26 Cb 0.02 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 2hxs h THR 26 CO -0.00 0.51 0.33 0.28 0.37 0.00 0.00 175.52 177.01 2hxs h SER 27 N 0.33 0.92 -0.26 4.18 0.02 -1.90 -0.31 113.55 116.54 2hxs h SER 27 Ca 0.02 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 2hxs h SER 27 Cb 0.94 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2hxs h SER 27 CO 0.08 0.80 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.36 2hxs h LEU 28 N 0.98 0.57 -0.53 5.07 3.38 -0.53 -0.28 115.31 123.98 2hxs h LEU 28 Ca 0.24 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2hxs h LEU 28 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2hxs h LEU 28 CO -0.03 0.87 0.15 0.71 0.09 0.00 0.00 178.44 180.23 2hxs h THR 29 N 0.28 1.24 -0.70 0.22 1.35 -1.12 -2.45 112.91 111.72 2hxs h THR 29 Ca 0.05 -0.82 -0.02 0.00 -0.55 0.00 0.00 66.41 65.07 2hxs h THR 29 Cb 0.67 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 67.83 2hxs h THR 29 CO 0.04 0.30 0.37 0.74 -0.25 0.00 0.00 175.52 176.73 2hxs h THR 30 N 0.73 1.22 -0.81 6.82 2.02 -0.99 -0.07 112.91 121.83 2hxs h THR 30 Ca 0.17 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.84 2hxs h THR 30 Cb 0.31 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 2hxs h THR 30 CO -0.00 0.24 0.50 0.00 0.37 0.00 0.00 175.52 176.63 2hxs h PHE 32 N 0.93 0.39 0.00 0.00 3.57 -1.13 -3.14 116.94 117.56 2hxs h PHE 32 Ca 0.35 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2hxs h PHE 32 Cb 0.13 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2hxs h PHE 32 CO -0.04 0.86 -0.29 0.00 -2.23 0.00 0.00 178.31 176.61 2hxs h ALA 33 N 1.10 1.06 -0.94 2.41 0.00 -0.36 -3.36 119.26 119.17 2hxs h ALA 33 Ca -0.01 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.74 2hxs h ALA 33 Cb 1.18 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2hxs h ALA 33 CO 0.10 0.36 0.60 0.37 0.00 0.00 0.00 179.25 180.69 2hxs h GLN 34 N 0.00 0.91 0.00 0.00 -0.00 -1.10 0.20 115.11 115.11 2hxs h GLN 34 Ca -0.00 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 2hxs h GLN 34 Cb 0.76 -0.20 -0.00 0.00 0.00 0.00 0.00 27.48 28.04 2hxs h GLN 34 CO 0.04 0.60 -0.00 1.49 0.00 0.00 0.00 178.83 180.96 2hxs h GLU 35 N 0.93 0.00 -0.02 1.69 4.57 -1.80 -1.59 114.58 118.36 2hxs h GLU 35 Ca 0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 2hxs h GLU 35 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2hxs h GLU 35 CO -0.20 0.00 -0.11 0.25 -1.18 0.00 0.00 179.01 177.77 2hxs n THR 36 N -3.13 0.00 -1.70 0.32 -2.24 0.69 -4.97 114.28 103.25 2hxs n THR 36 Ca -0.03 -0.37 -0.43 0.00 -2.27 0.00 0.00 64.05 60.95 2hxs n THR 36 Cb 0.09 1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 2hxs n THR 36 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2hxs n PHE 37 N 0.70 2.31 0.00 4.78 3.01 -0.60 -1.60 117.46 126.06 2hxs n PHE 37 Ca 0.14 0.53 0.00 0.00 1.01 0.00 0.00 57.45 59.13 2hxs n PHE 37 Cb 0.50 -2.43 0.00 0.00 -0.01 0.00 0.00 39.48 37.55 2hxs n PHE 37 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2hxs n GLY 38 N 0.93 0.24 0.34 1.37 0.00 -1.26 -4.78 105.19 102.04 2hxs n GLY 38 Ca 0.05 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.26 2hxs n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hxs h LYS 39 N 0.00 0.95 0.09 1.61 1.57 -2.00 -1.52 116.57 117.28 2hxs h LYS 39 Ca 0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2hxs h LYS 39 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2hxs h LYS 39 CO 0.00 0.63 -0.04 0.37 -0.57 0.00 0.00 179.45 179.84 2hxs h GLN 40 N 0.98 -0.12 -0.27 3.15 4.15 -1.86 -2.82 115.11 118.31 2hxs h GLN 40 Ca 0.44 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.90 2hxs h GLN 40 Cb 0.34 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2hxs h GLN 40 CO -0.23 0.40 0.19 -0.92 -1.93 0.00 0.00 178.83 176.34 2hxs h TYR 41 N -0.82 0.24 0.00 3.99 3.20 -1.22 -1.65 116.97 120.71 2hxs h TYR 41 Ca -0.01 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2hxs h TYR 41 Cb 0.58 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 2hxs h TYR 41 CO 0.12 0.14 -0.16 0.87 -1.64 0.00 0.00 178.16 177.49 2hxs h LYS 42 N 0.25 0.00 -1.01 1.82 1.57 -1.15 -2.53 116.57 115.52 2hxs h LYS 42 Ca 0.11 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.12 2hxs h LYS 42 Cb 0.15 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.35 2hxs h LYS 42 CO -0.02 0.16 0.62 0.37 -0.57 0.00 0.00 179.45 180.00 2hxs h GLN 43 N 0.00 0.58 0.00 3.15 4.15 -1.04 -2.83 115.11 119.12 2hxs h GLN 43 Ca -0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2hxs h GLN 43 Cb 0.50 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 2hxs h GLN 43 CO 0.02 0.39 -0.23 0.25 -1.93 0.00 0.00 178.83 177.33 2hxs n THR 44 N -4.78 2.03 -2.04 2.39 -2.24 -0.96 -5.01 114.28 103.67 2hxs n THR 44 Ca 0.25 -2.71 -0.41 0.00 -2.27 0.00 0.00 64.05 58.92 2hxs n THR 44 Cb 0.71 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 2hxs n THR 44 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2hxs s ILE 45 N -3.04 2.60 0.00 2.28 1.10 -1.07 -0.64 121.20 122.44 2hxs s ILE 45 Ca 0.35 0.57 0.00 0.00 -0.51 0.00 0.00 60.65 61.06 2hxs s ILE 45 Cb 0.32 -3.36 0.00 0.00 0.15 0.00 0.00 42.46 39.57 2hxs s ILE 45 CO -0.02 0.12 0.00 0.61 -2.11 0.00 0.00 174.94 173.55 2hxs n GLY 46 N 1.20 0.45 3.99 1.50 0.00 -1.26 -5.00 105.19 106.06 2hxs n GLY 46 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 2hxs n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hxs s LEU 47 N 0.00 3.27 0.20 0.99 1.43 0.19 -5.00 118.68 119.75 2hxs s LEU 47 Ca 0.00 -0.21 0.20 0.00 -1.03 0.00 0.00 54.13 53.09 2hxs s LEU 47 Cb 0.00 -2.58 0.88 0.00 0.03 0.00 0.00 46.19 44.52 2hxs s LEU 47 CO 0.00 -1.23 1.61 0.47 0.23 0.00 0.00 176.35 177.44 2hxs n ASP 48 N -2.34 0.48 -3.87 2.29 10.43 -1.26 -4.82 116.55 117.45 2hxs n ASP 48 Ca 0.10 0.63 -0.10 0.00 2.57 0.00 0.00 54.79 57.99 2hxs n ASP 48 Cb 0.60 -0.73 -0.05 0.00 1.84 0.00 0.00 41.12 42.78 2hxs n ASP 48 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 2hxs s PHE 49 N -3.26 0.57 0.24 1.24 -0.12 -1.26 -3.79 117.98 111.59 2hxs s PHE 49 Ca 0.04 -0.90 0.02 0.00 -0.05 0.00 0.00 56.93 56.04 2hxs s PHE 49 Cb 0.08 0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.50 2hxs s PHE 49 CO 0.32 -0.99 0.04 -0.59 -0.05 0.00 0.00 175.22 173.95 2hxs s PHE 50 N -3.83 1.52 -0.05 3.49 -0.12 -0.86 -4.84 117.98 113.30 2hxs s PHE 50 Ca 0.26 -1.04 0.04 0.00 -0.05 0.00 0.00 56.93 56.13 2hxs s PHE 50 Cb 0.00 -0.89 -0.03 0.00 -0.63 0.00 0.00 43.02 41.47 2hxs s PHE 50 CO 0.11 -0.18 -0.15 -0.51 -0.05 0.00 0.00 175.22 174.44 2hxs s LEU 51 N -3.30 2.70 -0.04 -1.99 1.43 -1.26 -0.98 118.68 115.24 2hxs s LEU 51 Ca 0.32 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2hxs s LEU 51 Cb 0.07 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.78 2hxs s LEU 51 CO 0.10 0.34 0.08 -0.60 0.23 0.00 0.00 176.35 176.50 2hxs s ARG 52 N -0.72 -0.02 0.08 1.70 3.52 -0.40 -4.85 118.95 118.25 2hxs s ARG 52 Ca 0.11 0.33 -0.24 0.00 -0.13 0.00 0.00 55.73 55.81 2hxs s ARG 52 Cb -0.11 -0.33 -0.06 0.00 -1.56 0.00 0.00 34.95 32.89 2hxs s ARG 52 CO 0.00 -0.24 0.71 0.50 -0.81 0.00 0.00 175.30 175.47 2hxs s ARG 53 N 1.61 4.45 0.15 5.12 3.52 -1.26 -0.54 118.95 132.00 2hxs s ARG 53 Ca -0.03 0.99 0.06 0.00 -0.13 0.00 0.00 55.73 56.62 2hxs s ARG 53 Cb -0.12 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 2hxs s ARG 53 CO -0.04 0.43 -0.12 0.96 -0.81 0.00 0.00 175.30 175.72 2hxs s ILE 54 N -0.53 1.34 -0.30 4.11 -4.36 -0.06 -4.98 121.20 116.42 2hxs s ILE 54 Ca 0.35 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.72 2hxs s ILE 54 Cb -0.21 -1.80 0.04 0.00 1.25 0.00 0.00 42.46 41.75 2hxs s ILE 54 CO 0.22 -0.62 0.01 -0.89 0.24 0.00 0.00 174.94 173.91 2hxs s THR 55 N -2.91 3.15 0.58 8.37 2.01 -1.26 -1.41 115.64 124.17 2hxs s THR 55 Ca 0.16 -1.28 -0.14 0.00 0.31 0.00 0.00 61.69 60.74 2hxs s THR 55 Cb -0.00 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 2hxs s THR 55 CO 0.03 -0.08 1.02 -0.76 -0.69 0.00 0.00 174.62 174.14 2hxs s LEU 56 N 1.30 3.43 0.27 4.42 1.43 0.33 -4.81 118.68 125.06 2hxs s LEU 56 Ca -0.04 1.59 -0.27 0.00 -1.03 0.00 0.00 54.13 54.37 2hxs s LEU 56 Cb -0.19 -4.50 -0.15 0.00 0.03 0.00 0.00 46.19 41.38 2hxs s LEU 56 CO -0.01 -0.89 0.79 -2.65 0.23 0.00 0.00 176.35 173.82 2hxs n PRO 57 N -2.18 0.79 -0.96 1.29 -0.02 -1.26 -1.75 135.00 130.91 2hxs n PRO 57 Ca 0.07 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2hxs n PRO 57 Cb 0.54 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2hxs n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hxs n GLY 58 N 1.55 0.56 3.97 -1.23 0.00 -1.26 -4.30 105.19 104.49 2hxs n GLY 58 Ca 0.13 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 2hxs n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hxs n ASN 59 N 1.56 -0.37 -4.40 1.61 5.03 -0.84 -4.94 115.26 112.91 2hxs n ASN 59 Ca 0.00 -1.03 -0.44 0.00 0.87 0.00 0.00 54.58 53.98 2hxs n ASN 59 Cb 0.09 -2.96 -0.06 0.00 -1.02 0.00 0.00 39.78 35.83 2hxs n ASN 59 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2hxs s LEU 60 N -6.98 5.39 -0.13 3.41 1.43 -0.72 -4.92 118.68 116.16 2hxs s LEU 60 Ca 0.02 -1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 51.63 2hxs s LEU 60 Cb -0.01 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 2hxs s LEU 60 CO 0.90 -0.83 0.87 0.20 0.23 0.00 0.00 176.35 177.72 2hxs s ASN 61 N 2.88 7.06 0.00 2.29 0.01 -1.26 -0.51 114.94 125.42 2hxs s ASN 61 Ca 0.09 1.30 0.01 0.00 -0.71 0.00 0.00 52.86 53.55 2hxs s ASN 61 Cb -0.23 -2.48 -0.00 0.00 0.41 0.00 0.00 41.25 38.94 2hxs s ASN 61 CO 0.08 -0.38 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.57 2hxs s VAL 62 N 1.91 0.24 -0.21 1.60 1.01 -0.50 -4.58 120.40 119.87 2hxs s VAL 62 Ca 0.42 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 2hxs s VAL 62 Cb -0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 2hxs s VAL 62 CO 0.15 -0.01 0.12 -0.89 0.00 0.00 0.00 175.10 174.47 2hxs s THR 63 N -0.25 5.10 -0.14 3.92 2.01 0.16 -0.88 115.64 125.56 2hxs s THR 63 Ca -0.01 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.90 2hxs s THR 63 Cb -0.02 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 2hxs s THR 63 CO -0.00 0.40 0.44 -0.76 -0.69 0.00 0.00 174.62 174.01 2hxs s LEU 64 N 0.74 4.25 -0.38 4.42 1.43 0.30 -0.95 118.68 128.50 2hxs s LEU 64 Ca 0.06 0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 53.81 2hxs s LEU 64 Cb -0.13 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.52 2hxs s LEU 64 CO 0.02 0.00 0.19 -1.58 0.23 0.00 0.00 176.35 175.21 2hxs s GLN 65 N 0.71 2.66 -0.23 1.70 0.74 0.32 -1.27 119.66 124.27 2hxs s GLN 65 Ca 0.24 -1.27 -0.07 0.00 0.05 0.00 0.00 55.36 54.31 2hxs s GLN 65 Cb -0.15 -3.66 -0.03 0.00 1.10 0.00 0.00 33.01 30.27 2hxs s GLN 65 CO 0.09 -0.79 0.05 0.42 -0.55 0.00 0.00 175.29 174.51 2hxs s ILE 66 N 1.45 4.26 -0.24 -2.34 -1.09 -0.15 -1.03 121.20 122.07 2hxs s ILE 66 Ca 0.01 -0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.19 2hxs s ILE 66 Cb -0.21 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.69 2hxs s ILE 66 CO 0.03 0.37 -0.01 0.26 -1.23 0.00 0.00 174.94 174.36 2hxs s TRP 67 N 1.40 3.01 -0.19 3.97 0.52 -0.17 -2.02 118.94 125.46 2hxs s TRP 67 Ca 0.05 -0.91 -0.16 0.00 0.02 0.00 0.00 56.10 55.10 2hxs s TRP 67 Cb -0.15 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 2hxs s TRP 67 CO 0.03 -0.53 0.41 0.34 0.02 0.00 0.00 176.95 177.22 2hxs s ASP 68 N 1.49 6.48 0.00 2.95 2.15 -1.25 -1.23 116.67 127.26 2hxs s ASP 68 Ca 0.05 0.57 0.19 0.00 0.43 0.00 0.00 52.55 53.79 2hxs s ASP 68 Cb -0.15 -2.24 1.01 0.00 -0.30 0.00 0.00 42.92 41.24 2hxs s ASP 68 CO -0.02 -0.07 1.54 2.30 -0.17 0.00 0.00 175.17 178.76 2hxs n ILE 69 N 4.23 0.27 -0.55 4.11 -5.35 -1.23 -4.95 119.36 115.90 2hxs n ILE 69 Ca -0.08 0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 2hxs n ILE 69 Cb 0.51 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 2hxs n ILE 69 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hxs n GLY 70 N 0.23 2.64 1.01 3.28 0.00 -1.26 -2.05 105.19 109.04 2hxs n GLY 70 Ca 0.11 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.92 2hxs n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hxs n GLY 71 N 0.00 1.54 3.77 -0.02 0.00 -1.26 -4.95 105.19 104.27 2hxs n GLY 71 Ca 0.00 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 2hxs n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hxs s GLN 72 N -1.29 3.92 0.51 1.61 -0.21 -0.87 -5.02 119.66 118.32 2hxs s GLN 72 Ca 0.37 1.93 0.07 0.00 0.02 0.00 0.00 55.36 57.75 2hxs s GLN 72 Cb 0.19 -2.62 0.05 0.00 1.00 0.00 0.00 33.01 31.63 2hxs s GLN 72 CO 0.25 -0.46 0.71 0.95 -2.12 0.00 0.00 175.29 174.62 2hxs s THR 73 N -1.39 2.60 0.30 -0.19 -4.23 -1.26 -4.95 115.64 106.52 2hxs s THR 73 Ca 0.59 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 2hxs s THR 73 Cb -0.33 -2.69 0.29 0.00 1.34 0.00 0.00 72.50 71.11 2hxs s THR 73 CO 0.41 0.00 1.87 0.40 -0.54 0.00 0.00 174.62 176.75 2hxs h ILE 74 N 0.31 0.96 -0.47 2.99 2.04 -1.97 -0.92 117.51 120.46 2hxs h ILE 74 Ca -0.37 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2hxs h ILE 74 Cb 1.28 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2hxs h ILE 74 CO 0.44 0.18 0.00 0.61 0.00 0.00 0.00 178.15 179.38 2hxs n GLY 75 N -1.37 2.15 3.76 5.37 0.00 -1.26 -4.98 105.19 108.85 2hxs n GLY 75 Ca 0.17 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2hxs n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hxs s GLY 76 N -0.74 2.68 0.00 -0.02 0.00 -0.35 -4.90 107.32 103.99 2hxs s GLY 76 Ca 0.38 1.27 0.27 0.00 0.00 0.00 0.00 44.72 46.64 2hxs s GLY 76 CO 0.17 2.08 1.91 0.58 0.00 0.00 0.00 173.10 177.83 2hxs n LYS 77 N 1.60 1.29 -0.01 2.90 2.85 -1.26 -2.36 118.16 123.17 2hxs n LYS 77 Ca 0.03 -0.42 0.10 0.00 -1.05 0.00 0.00 58.31 56.97 2hxs n LYS 77 Cb 0.41 -1.44 0.09 0.00 -0.65 0.00 0.00 35.03 33.44 2hxs n LYS 77 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2hxs n MET 78 N -0.45 1.79 0.25 -1.58 2.81 -1.26 -4.61 117.12 114.06 2hxs n MET 78 Ca 0.20 -1.70 0.08 0.00 -1.81 0.00 0.00 57.70 54.46 2hxs n MET 78 Cb 0.20 -1.38 0.61 0.00 -0.71 0.00 0.00 33.22 31.93 2hxs n MET 78 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2hxs h LEU 79 N 3.91 0.00 -1.10 4.03 5.85 -1.81 -2.94 115.31 123.25 2hxs h LEU 79 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2hxs h LEU 79 Cb 0.83 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 2hxs h LEU 79 CO 0.00 0.08 0.61 0.44 -0.34 0.00 0.00 178.44 179.23 2hxs h ASP 80 N 0.00 1.01 0.71 1.25 5.19 -1.81 -0.64 116.42 122.13 2hxs h ASP 80 Ca -0.00 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2hxs h ASP 80 Cb 0.14 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.42 2hxs h ASP 80 CO 0.01 0.69 -0.07 0.07 -3.12 0.00 0.00 179.24 176.82 2hxs h LYS 81 N 1.17 0.00 0.05 3.56 2.10 -1.86 0.03 116.57 121.61 2hxs h LYS 81 Ca 0.37 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.86 2hxs h LYS 81 Cb 0.01 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.36 2hxs h LYS 81 CO -0.11 0.07 -0.66 1.88 -2.00 0.00 0.00 179.45 178.63 2hxs h TYR 82 N 0.00 0.58 0.12 0.07 0.05 -1.28 -3.41 116.97 113.09 2hxs h TYR 82 Ca -0.00 -0.35 -0.36 0.00 0.05 0.00 0.00 58.73 58.08 2hxs h TYR 82 Cb 0.45 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 2hxs h TYR 82 CO 0.00 1.20 -1.95 -0.89 -1.05 0.00 0.00 178.16 175.47 2hxs n ILE 83 N -4.20 1.78 -1.82 -2.88 5.41 -0.90 -4.59 119.36 112.16 2hxs n ILE 83 Ca -0.11 -0.62 -0.41 0.00 1.00 0.00 0.00 62.75 62.60 2hxs n ILE 83 Cb 0.72 -1.76 -0.01 0.00 -0.71 0.00 0.00 39.64 37.88 2hxs n ILE 83 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2hxs s TYR 84 N -2.55 2.65 0.00 1.39 1.51 -0.03 -1.56 117.35 118.76 2hxs s TYR 84 Ca -0.23 1.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.93 2hxs s TYR 84 Cb 0.07 -4.01 0.00 0.00 -0.11 0.00 0.00 41.96 37.90 2hxs s TYR 84 CO 0.76 -3.06 0.00 0.41 -1.11 0.00 0.00 175.55 172.55 2hxs n GLY 85 N 0.87 1.78 3.64 0.71 0.00 -1.26 -4.90 105.19 106.04 2hxs n GLY 85 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2hxs n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hxs s ALA 86 N -3.54 3.47 -0.09 4.61 0.00 -0.60 -4.67 121.76 120.94 2hxs s ALA 86 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 51.96 52.24 2hxs s ALA 86 Cb 0.00 -3.71 0.06 0.00 0.00 0.00 0.00 23.12 19.47 2hxs s ALA 86 CO 0.00 -1.55 1.44 1.96 0.00 0.00 0.00 175.76 177.61 2hxs h GLN 87 N 8.70 0.00 -5.73 0.00 4.20 -1.23 -3.44 115.11 117.61 2hxs h GLN 87 Ca -0.24 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 57.96 2hxs h GLN 87 Cb 1.09 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.63 2hxs h GLN 87 CO 1.02 0.58 -0.81 0.20 -0.67 0.00 0.00 178.83 179.15 2hxs s GLY 88 N -4.50 1.00 -0.06 3.46 0.00 -0.72 -1.30 107.32 105.20 2hxs s GLY 88 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2hxs s GLY 88 CO 0.75 -0.99 -0.04 0.14 0.00 0.00 0.00 173.10 172.96 2hxs s VAL 89 N -0.97 0.63 -0.25 1.40 1.01 0.06 -1.49 120.40 120.78 2hxs s VAL 89 Ca 0.04 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 2hxs s VAL 89 Cb -0.09 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2hxs s VAL 89 CO 0.02 0.27 0.20 -0.76 0.00 0.00 0.00 175.10 174.83 2hxs s LEU 90 N 1.30 4.08 -0.54 3.92 1.43 0.07 -0.77 118.68 128.17 2hxs s LEU 90 Ca -0.05 0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 2hxs s LEU 90 Cb -0.14 -2.16 0.11 0.00 0.03 0.00 0.00 46.19 44.03 2hxs s LEU 90 CO -0.02 0.01 0.56 -0.76 0.23 0.00 0.00 176.35 176.37 2hxs s LEU 91 N 1.35 5.74 -0.15 1.79 1.43 0.58 -0.75 118.68 128.66 2hxs s LEU 91 Ca 0.09 -1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 51.55 2hxs s LEU 91 Cb -0.14 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 2hxs s LEU 91 CO 0.07 -0.92 0.22 -0.69 0.23 0.00 0.00 176.35 175.26 2hxs s VAL 92 N 2.05 5.36 0.20 -1.59 1.01 -0.22 -0.74 120.40 126.48 2hxs s VAL 92 Ca 0.07 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2hxs s VAL 92 Cb -0.26 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2hxs s VAL 92 CO 0.05 0.47 0.00 -0.72 0.00 0.00 0.00 175.10 174.91 2hxs s TYR 93 N -0.02 1.38 -0.29 5.22 -0.85 -0.61 -4.28 117.35 117.90 2hxs s TYR 93 Ca 0.14 -0.98 -0.15 0.00 -0.52 0.00 0.00 57.07 55.56 2hxs s TYR 93 Cb -0.12 -0.79 -0.03 0.00 0.38 0.00 0.00 41.96 41.40 2hxs s TYR 93 CO 0.03 -0.14 0.36 0.34 -1.52 0.00 0.00 175.55 174.62 2hxs s ASP 94 N -3.24 6.21 0.23 -0.18 -1.08 -1.26 -0.73 116.67 116.63 2hxs s ASP 94 Ca 0.26 0.13 0.16 0.00 -0.52 0.00 0.00 52.55 52.59 2hxs s ASP 94 Cb 0.06 -2.20 0.86 0.00 -1.46 0.00 0.00 42.92 40.18 2hxs s ASP 94 CO 0.06 -0.22 1.50 2.30 0.52 0.00 0.00 175.17 179.34 2hxs n ILE 95 N 5.15 1.24 0.76 4.11 -5.35 -0.68 -1.08 119.36 123.51 2hxs n ILE 95 Ca -0.09 0.61 0.12 0.00 -0.27 0.00 0.00 62.75 63.12 2hxs n ILE 95 Cb 0.50 -1.60 0.23 0.00 -1.74 0.00 0.00 39.64 37.04 2hxs n ILE 95 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2hxs n THR 96 N -2.05 0.26 -3.85 7.28 -2.24 -1.26 -0.30 114.28 112.12 2hxs n THR 96 Ca -0.01 -0.57 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 2hxs n THR 96 Cb 0.05 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.14 2hxs n THR 96 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2hxs s ASN 97 N -1.70 4.28 0.24 3.42 3.84 -0.24 -4.61 114.94 120.16 2hxs s ASN 97 Ca 0.34 -2.02 -0.07 0.00 0.21 0.00 0.00 52.86 51.33 2hxs s ASN 97 Cb 0.21 -1.21 0.23 0.00 -0.55 0.00 0.00 41.25 39.93 2hxs s ASN 97 CO 0.31 -0.38 1.91 0.22 -2.79 0.00 0.00 177.10 176.37 2hxs h TYR 98 N 7.67 1.16 -0.19 0.43 3.20 -1.86 -2.07 116.97 125.31 2hxs h TYR 98 Ca -0.08 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 2hxs h TYR 98 Cb 1.00 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2hxs h TYR 98 CO 0.42 0.73 0.01 0.37 -1.64 0.00 0.00 178.16 178.05 2hxs h GLN 99 N 1.25 0.28 -0.17 1.82 5.75 -1.95 -0.72 115.11 121.36 2hxs h GLN 99 Ca 0.34 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.75 2hxs h GLN 99 Cb -0.14 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 2hxs h GLN 99 CO -0.07 0.29 -0.11 0.66 -2.65 0.00 0.00 178.83 176.95 2hxs h SER 100 N 0.27 0.26 -0.02 -0.69 4.64 -1.70 -0.47 113.55 115.84 2hxs h SER 100 Ca 0.07 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2hxs h SER 100 Cb 0.17 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2hxs h SER 100 CO 0.00 0.41 -0.10 0.15 -0.87 0.00 0.00 176.83 176.42 2hxs h PHE 101 N 0.26 0.13 -0.85 4.77 3.57 -1.15 -3.27 116.94 120.41 2hxs h PHE 101 Ca 0.05 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2hxs h PHE 101 Cb 0.37 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 2hxs h PHE 101 CO 0.01 0.77 0.51 1.49 -2.23 0.00 0.00 178.31 178.86 2hxs h GLU 102 N -0.54 0.89 0.00 1.11 4.81 -0.87 -1.49 114.58 118.50 2hxs h GLU 102 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2hxs h GLU 102 Cb 0.78 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2hxs h GLU 102 CO 0.02 0.59 0.00 0.09 -0.73 0.00 0.00 179.01 178.98 2hxs n ASN 103 N -4.66 0.48 0.28 1.04 3.02 -0.21 -2.53 115.26 112.68 2hxs n ASN 103 Ca 0.13 0.63 0.14 0.00 -0.03 0.00 0.00 54.58 55.44 2hxs n ASN 103 Cb 0.21 -0.73 0.83 0.00 -0.61 0.00 0.00 39.78 39.49 2hxs n ASN 103 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2hxs h LEU 104 N 0.00 0.00 -0.86 3.41 3.38 -1.31 -1.20 115.31 118.73 2hxs h LEU 104 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2hxs h LEU 104 Cb 0.30 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2hxs h LEU 104 CO 0.00 0.05 0.53 -0.08 0.09 0.00 0.00 178.44 179.03 2hxs h GLU 105 N 0.00 0.95 -0.22 1.13 4.57 -1.67 0.14 114.58 119.49 2hxs h GLU 105 Ca -0.00 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 57.96 2hxs h GLU 105 Cb 0.12 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2hxs h GLU 105 CO 0.01 0.63 -0.52 -0.44 -1.18 0.00 0.00 179.01 177.51 2hxs h ASP 106 N 0.98 0.70 -0.56 1.04 3.32 -1.45 -1.34 116.42 119.11 2hxs h ASP 106 Ca 0.37 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2hxs h ASP 106 Cb 0.16 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2hxs h ASP 106 CO -0.17 1.09 0.29 -0.50 -1.72 0.00 0.00 179.24 178.23 2hxs h TRP 107 N 0.49 0.79 0.00 4.55 4.06 -1.18 -2.69 115.95 121.97 2hxs h TRP 107 Ca 0.02 -0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.86 2hxs h TRP 107 Cb 1.07 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.97 2hxs h TRP 107 CO 0.05 0.59 -0.36 -0.92 -3.56 0.00 0.00 178.44 174.24 2hxs h TYR 108 N 0.76 0.00 -0.91 0.49 3.20 -0.76 -2.07 116.97 117.68 2hxs h TYR 108 Ca 0.20 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.10 2hxs h TYR 108 Cb 0.08 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 2hxs h TYR 108 CO -0.01 0.36 0.59 1.15 -1.64 0.00 0.00 178.16 178.61 2hxs h THR 109 N 0.00 1.15 -0.49 1.81 2.02 -0.91 0.83 112.91 117.32 2hxs h THR 109 Ca -0.00 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 2hxs h THR 109 Cb 0.64 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2hxs h THR 109 CO 0.05 0.21 0.09 0.58 0.37 0.00 0.00 175.52 176.81 2hxs h VAL 110 N 1.14 1.25 -0.69 3.16 2.07 -1.26 -1.31 116.25 120.60 2hxs h VAL 110 Ca 0.36 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.99 2hxs h VAL 110 Cb 0.01 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2hxs h VAL 110 CO -0.12 0.32 0.45 0.58 0.02 0.00 0.00 177.57 178.82 2hxs h VAL 111 N 0.69 1.13 -0.75 2.57 2.07 -0.84 -0.99 116.25 120.13 2hxs h VAL 111 Ca 0.15 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2hxs h VAL 111 Cb 0.38 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2hxs h VAL 111 CO 0.01 0.16 0.33 0.11 0.02 0.00 0.00 177.57 178.20 2hxs h LYS 112 N 0.89 1.09 -0.10 1.57 1.57 -0.64 0.51 116.57 121.45 2hxs h LYS 112 Ca 0.27 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2hxs h LYS 112 Cb -0.04 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 2hxs h LYS 112 CO -0.08 0.86 0.03 0.87 -0.57 0.00 0.00 179.45 180.56 2hxs h LYS 113 N 1.08 0.16 -0.79 3.15 1.57 -0.74 -0.46 116.57 120.53 2hxs h LYS 113 Ca 0.26 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2hxs h LYS 113 Cb 0.16 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2hxs h LYS 113 CO -0.03 0.33 0.49 0.28 -0.57 0.00 0.00 179.45 179.95 2hxs h VAL 114 N -0.03 1.22 -0.32 0.50 2.07 -0.96 -1.82 116.25 116.91 2hxs h VAL 114 Ca 0.03 -0.46 -0.13 0.00 0.82 0.00 0.00 66.70 66.96 2hxs h VAL 114 Cb 0.24 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2hxs h VAL 114 CO -0.00 0.22 -0.33 0.77 0.02 0.00 0.00 177.57 178.25 2hxs h SER 115 N 1.08 0.73 -0.31 0.57 4.64 -0.75 0.23 113.55 119.74 2hxs h SER 115 Ca 0.29 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2hxs h SER 115 Cb -0.06 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 2hxs h SER 115 CO -0.06 1.00 0.06 -0.08 -0.87 0.00 0.00 176.83 176.88 2hxs h GLU 116 N 0.59 0.52 -0.56 4.77 4.22 -0.95 0.32 114.58 123.50 2hxs h GLU 116 Ca 0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 59.36 59.34 2hxs h GLU 116 Cb 0.85 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2hxs h GLU 116 CO 0.07 0.61 0.24 1.49 -2.18 0.00 0.00 179.01 179.24 2hxs h GLU 117 N 0.35 0.82 0.00 1.92 4.81 -1.17 -2.96 114.58 118.34 2hxs h GLU 117 Ca 0.10 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2hxs h GLU 117 Cb 0.33 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2hxs h GLU 117 CO 0.01 0.69 0.00 0.43 -0.73 0.00 0.00 179.01 179.41 2hxs n SER 118 N -4.53 0.65 -3.50 1.04 7.64 0.06 -4.94 113.62 110.04 2hxs n SER 118 Ca 0.03 0.57 -0.22 0.00 1.01 0.00 0.00 58.87 60.26 2hxs n SER 118 Cb 0.14 -0.74 0.08 0.00 -1.01 0.00 0.00 64.21 62.69 2hxs n SER 118 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hxs n GLU 119 N -2.11 -7.48 -4.40 1.43 1.02 0.03 -5.01 120.64 104.11 2hxs n GLU 119 Ca 0.06 0.82 -0.25 0.00 -0.02 0.00 0.00 57.16 57.77 2hxs n GLU 119 Cb 0.40 -5.83 -0.09 0.00 -0.02 0.00 0.00 31.44 25.90 2hxs n GLU 119 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2hxs s THR 120 N -3.33 2.61 -0.51 2.62 -4.23 -0.74 -5.05 115.64 107.02 2hxs s THR 120 Ca 0.41 -2.09 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 2hxs s THR 120 Cb -0.18 -2.69 0.17 0.00 1.34 0.00 0.00 72.50 71.14 2hxs s THR 120 CO 0.72 -0.25 0.39 -1.10 -0.54 0.00 0.00 174.62 173.83 2hxs s GLN 121 N -3.65 1.41 0.75 3.99 -0.21 -1.26 -4.59 119.66 116.09 2hxs s GLN 121 Ca 0.33 -2.50 -0.15 0.00 0.02 0.00 0.00 55.36 53.07 2hxs s GLN 121 Cb -0.01 -2.07 0.05 0.00 1.00 0.00 0.00 33.01 31.98 2hxs s GLN 121 CO 0.18 -1.35 1.22 -1.25 -2.12 0.00 0.00 175.29 171.97 2hxs s PRO 122 N -0.41 1.98 -0.15 2.91 0.04 -1.26 -4.95 135.00 133.15 2hxs s PRO 122 Ca 0.30 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 2hxs s PRO 122 Cb 0.00 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 2hxs s PRO 122 CO -0.18 -1.97 1.14 -1.17 0.04 0.00 0.00 177.00 174.86 2hxs s LEU 123 N -5.30 4.19 -0.19 -3.56 1.98 -0.42 -4.93 118.68 110.45 2hxs s LEU 123 Ca 0.75 1.60 -0.03 0.00 -2.89 0.00 0.00 54.13 53.56 2hxs s LEU 123 Cb -0.30 -3.55 -0.02 0.00 0.66 0.00 0.00 46.19 42.99 2hxs s LEU 123 CO 0.47 -0.64 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.55 2hxs s VAL 124 N 2.88 3.56 -0.10 1.68 1.01 -1.26 -0.76 120.40 127.41 2hxs s VAL 124 Ca 0.51 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 2hxs s VAL 124 Cb -0.20 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2hxs s VAL 124 CO 0.14 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.61 2hxs s ALA 125 N 0.95 2.84 -0.24 5.51 0.00 0.05 -1.62 121.76 129.25 2hxs s ALA 125 Ca -0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 2hxs s ALA 125 Cb -0.15 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 2hxs s ALA 125 CO 0.01 0.40 0.49 -1.17 0.00 0.00 0.00 175.76 175.49 2hxs s LEU 126 N -0.22 4.09 -0.31 0.00 2.96 0.99 -0.31 118.68 125.88 2hxs s LEU 126 Ca 0.02 0.54 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 2hxs s LEU 126 Cb -0.13 -2.64 0.08 0.00 0.50 0.00 0.00 46.19 44.00 2hxs s LEU 126 CO 0.03 -0.23 0.00 -0.69 -1.32 0.00 0.00 176.35 174.14 2hxs s VAL 127 N 2.01 2.36 -0.57 1.68 1.01 0.08 -1.06 120.40 125.91 2hxs s VAL 127 Ca 0.21 -2.02 -0.24 0.00 0.00 0.00 0.00 61.98 59.93 2hxs s VAL 127 Cb -0.15 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.68 2hxs s VAL 127 CO 0.09 -0.38 0.96 -0.83 0.00 0.00 0.00 175.10 174.95 2hxs s GLY 128 N 1.06 1.38 0.50 4.51 0.00 0.06 -1.57 107.32 113.25 2hxs s GLY 128 Ca 0.03 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.41 2hxs s GLY 128 CO -0.06 2.09 0.76 0.21 0.00 0.00 0.00 173.10 176.10 2hxs s ASN 129 N 3.00 5.76 -0.39 1.64 2.47 0.09 -1.07 114.94 126.45 2hxs s ASN 129 Ca 0.30 0.47 -0.01 0.00 0.42 0.00 0.00 52.86 54.03 2hxs s ASN 129 Cb -0.13 -1.63 0.00 0.00 -1.45 0.00 0.00 41.25 38.05 2hxs s ASN 129 CO 0.18 -0.83 0.19 0.29 -3.72 0.00 0.00 177.10 173.21 2hxs n LYS 130 N -2.27 -1.43 0.23 0.43 5.02 -0.69 -1.69 118.16 117.74 2hxs n LYS 130 Ca 0.02 0.23 0.16 0.00 -2.02 0.00 0.00 58.31 56.70 2hxs n LYS 130 Cb 0.57 -3.64 0.74 0.00 -0.02 0.00 0.00 35.03 32.69 2hxs n LYS 130 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2hxs h ILE 131 N -0.43 0.00 0.00 -0.18 6.09 -1.42 0.12 117.51 121.69 2hxs h ILE 131 Ca -0.14 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 2hxs h ILE 131 Cb 1.10 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.38 2hxs h ILE 131 CO 0.15 0.00 0.00 -2.24 -3.07 0.00 0.00 178.15 172.99 2hxs h ASP 132 N 0.00 0.00 -0.85 2.19 2.03 -1.92 -1.72 116.42 116.15 2hxs h ASP 132 Ca 0.00 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.96 2hxs h ASP 132 Cb 0.23 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 38.53 2hxs h ASP 132 CO 0.00 0.00 0.43 0.18 -1.03 0.00 0.00 179.24 178.82 2hxs n LEU 133 N -3.04 6.37 0.11 0.15 4.77 0.41 -4.75 117.00 121.03 2hxs n LEU 133 Ca -0.02 -3.35 0.11 0.00 -0.03 0.00 0.00 56.01 52.72 2hxs n LEU 133 Cb 0.11 -0.79 0.61 0.00 -2.33 0.00 0.00 43.42 41.03 2hxs n LEU 133 CO 0.21 0.90 1.13 1.05 -1.33 0.00 0.00 177.39 179.35 2hxs h GLU 134 N 2.01 0.13 0.00 3.23 -0.00 -1.44 0.62 114.58 119.13 2hxs h GLU 134 Ca 0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.77 2hxs h GLU 134 Cb 2.56 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 31.28 2hxs h GLU 134 CO 0.89 0.08 0.00 -2.39 -0.00 0.00 0.00 179.01 177.59 2hxs n HIS 135 N -4.48 0.00 0.37 2.06 1.44 -1.26 -2.21 115.22 111.14 2hxs n HIS 135 Ca 0.03 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.79 2hxs n HIS 135 Cb 0.26 -0.42 0.05 0.00 0.12 0.00 0.00 29.99 30.00 2hxs n HIS 135 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2hxs n MET 136 N -1.42 0.56 -2.00 -1.40 2.81 0.19 -5.07 117.12 110.79 2hxs n MET 136 Ca 0.05 -1.16 -0.37 0.00 -1.81 0.00 0.00 57.70 54.42 2hxs n MET 136 Cb 0.17 -1.19 0.02 0.00 -0.71 0.00 0.00 33.22 31.51 2hxs n MET 136 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2hxs s ARG 137 N -0.84 3.25 0.00 0.03 1.70 -0.94 -4.68 118.95 117.47 2hxs s ARG 137 Ca 0.12 1.95 0.03 0.00 -0.47 0.00 0.00 55.73 57.37 2hxs s ARG 137 Cb 0.08 -2.18 0.03 0.00 -0.57 0.00 0.00 34.95 32.32 2hxs s ARG 137 CO 0.12 -1.02 0.65 0.25 -1.08 0.00 0.00 175.30 174.23 2hxs n THR 138 N -1.08 0.09 -4.01 4.99 -2.24 0.58 -4.85 114.28 107.76 2hxs n THR 138 Ca 0.11 -0.55 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 2hxs n THR 138 Cb 0.48 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.58 2hxs n THR 138 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2hxs s ILE 139 N -0.36 2.51 0.61 2.28 1.09 -1.01 -4.78 121.20 121.54 2hxs s ILE 139 Ca 0.04 -1.35 -0.16 0.00 -1.10 0.00 0.00 60.65 58.08 2hxs s ILE 139 Cb 0.03 -2.37 -0.03 0.00 -1.06 0.00 0.00 42.46 39.03 2hxs s ILE 139 CO 0.04 0.08 1.09 -0.54 -0.10 0.00 0.00 174.94 175.51 2hxs s LYS 140 N 1.21 3.11 0.41 2.79 1.02 -1.26 -4.87 119.74 122.16 2hxs s LYS 140 Ca -0.04 1.34 0.14 0.00 0.02 0.00 0.00 55.97 57.43 2hxs s LYS 140 Cb -0.18 -2.00 0.99 0.00 -0.52 0.00 0.00 37.83 36.12 2hxs s LYS 140 CO -0.05 -0.99 1.93 -1.35 -0.92 0.00 0.00 175.35 173.97 2hxs h PRO 141 N 0.40 0.46 -0.26 -1.68 0.11 -2.00 -1.17 132.00 127.86 2hxs h PRO 141 Ca -0.47 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 2hxs h PRO 141 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2hxs h PRO 141 CO 0.56 0.31 -0.18 0.93 -0.21 0.00 0.00 178.00 179.41 2hxs h GLU 142 N 0.48 0.45 -0.16 1.05 3.07 -1.99 0.58 114.58 118.06 2hxs h GLU 142 Ca 0.35 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 59.03 2hxs h GLU 142 Cb 0.71 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2hxs h GLU 142 CO -0.12 0.62 -0.07 -0.22 -1.40 0.00 0.00 179.01 177.82 2hxs h LYS 143 N 0.41 0.32 -0.37 2.33 3.64 -1.59 -1.48 116.57 119.83 2hxs h LYS 143 Ca 0.07 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2hxs h LYS 143 Cb 0.55 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 2hxs h LYS 143 CO 0.04 0.64 0.04 1.25 -2.27 0.00 0.00 179.45 179.14 2hxs h HIS 144 N -0.00 0.05 -0.87 1.91 2.76 -1.16 -2.23 115.15 115.60 2hxs h HIS 144 Ca 0.03 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2hxs h HIS 144 Cb 0.54 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.49 2hxs h HIS 144 CO 0.06 -0.03 0.52 1.25 -1.30 0.00 0.00 177.93 178.44 2hxs h LEU 145 N 0.15 1.04 -0.45 0.26 5.85 -0.79 -1.45 115.31 119.93 2hxs h LEU 145 Ca 0.18 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2hxs h LEU 145 Cb 0.23 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2hxs h LEU 145 CO -0.27 0.80 0.24 -0.09 -0.34 0.00 0.00 178.44 178.78 2hxs h ARG 146 N 1.19 0.63 -0.88 1.25 2.43 -1.06 0.65 114.38 118.59 2hxs h ARG 146 Ca 0.31 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 2hxs h ARG 146 Cb -0.05 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 2hxs h ARG 146 CO -0.06 0.51 0.49 0.35 -1.51 0.00 0.00 179.97 179.75 2hxs h PHE 147 N 0.58 1.20 -0.35 2.20 3.57 -0.80 -0.93 116.94 122.41 2hxs h PHE 147 Ca 0.16 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2hxs h PHE 147 Cb 0.07 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2hxs h PHE 147 CO -0.02 0.82 0.17 0.00 -2.23 0.00 0.00 178.31 177.05 2hxs h GLN 149 N 0.43 1.02 -0.10 0.00 4.20 -0.40 0.12 115.11 120.37 2hxs h GLN 149 Ca 0.12 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2hxs h GLN 149 Cb 0.12 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 2hxs h GLN 149 CO -0.01 0.84 0.07 0.93 -0.67 0.00 0.00 178.83 179.99 2hxs h GLU 150 N 0.97 0.10 0.00 1.46 5.08 -1.09 -3.27 114.58 117.83 2hxs h GLU 150 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2hxs h GLU 150 Cb 0.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2hxs h GLU 150 CO -0.02 0.06 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 2hxs n ASN 151 N -4.52 0.90 -0.92 1.42 3.02 -1.01 -5.02 115.26 109.13 2hxs n ASN 151 Ca -0.01 -0.95 -0.07 0.00 -0.03 0.00 0.00 54.58 53.51 2hxs n ASN 151 Cb 0.11 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 2hxs n ASN 151 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hxs n GLY 152 N 0.10 0.12 3.83 7.41 0.00 0.33 -5.03 105.19 111.95 2hxs n GLY 152 Ca 0.00 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 2hxs n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hxs s PHE 153 N -2.46 3.32 0.25 1.61 0.08 -0.71 -4.85 117.98 115.22 2hxs s PHE 153 Ca 0.03 1.53 -0.30 0.00 0.12 0.00 0.00 56.93 58.31 2hxs s PHE 153 Cb -0.01 -2.85 -0.09 0.00 -0.57 0.00 0.00 43.02 39.49 2hxs s PHE 153 CO 0.03 -0.39 1.08 0.45 -0.10 0.00 0.00 175.22 176.29 2hxs s SER 154 N -2.66 7.31 -0.16 1.36 0.15 -0.64 -4.80 113.70 114.27 2hxs s SER 154 Ca 0.61 2.20 -0.06 0.00 0.70 0.00 0.00 55.95 59.40 2hxs s SER 154 Cb -0.11 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 2hxs s SER 154 CO 0.25 -0.12 0.04 -0.55 1.20 0.00 0.00 173.24 174.05 2hxs s SER 155 N -0.76 5.47 -0.03 5.45 0.15 -1.26 -0.01 113.70 122.72 2hxs s SER 155 Ca 0.45 0.08 -0.03 0.00 0.70 0.00 0.00 55.95 57.15 2hxs s SER 155 Cb -0.31 -1.85 0.01 0.00 -1.71 0.00 0.00 66.02 62.15 2hxs s SER 155 CO 0.39 0.23 0.08 -1.00 1.20 0.00 0.00 173.24 174.13 2hxs s HIS 156 N 0.05 -0.07 -0.16 3.44 3.76 -0.22 -4.97 115.29 117.11 2hxs s HIS 156 Ca 0.04 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.14 2hxs s HIS 156 Cb -0.12 0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.61 2hxs s HIS 156 CO 0.01 -0.06 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.61 2hxs s PHE 157 N -0.07 2.46 0.20 1.40 0.08 -1.26 -0.76 117.98 120.03 2hxs s PHE 157 Ca -0.01 -1.43 0.01 0.00 0.12 0.00 0.00 56.93 55.62 2hxs s PHE 157 Cb -0.01 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 2hxs s PHE 157 CO 0.00 -0.74 0.06 0.14 -0.10 0.00 0.00 175.22 174.58 2hxs s VAL 158 N 1.38 0.45 -0.19 -0.44 -7.23 -0.23 -4.74 120.40 109.40 2hxs s VAL 158 Ca 0.05 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.23 2hxs s VAL 158 Cb -0.13 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.54 2hxs s VAL 158 CO -0.12 -0.26 -0.03 -0.55 -0.31 0.00 0.00 175.10 173.84 2hxs s SER 159 N -3.19 3.12 0.44 4.85 0.15 -0.46 -1.33 113.70 117.28 2hxs s SER 159 Ca 0.30 -0.84 0.14 0.00 0.70 0.00 0.00 55.95 56.25 2hxs s SER 159 Cb 0.07 -0.90 0.96 0.00 -1.71 0.00 0.00 66.02 64.44 2hxs s SER 159 CO 0.08 -0.23 1.97 0.00 1.20 0.00 0.00 173.24 176.25 2hxs h ALA 160 N 8.11 1.66 -0.15 5.45 0.00 -1.89 0.32 119.26 132.75 2hxs h ALA 160 Ca -0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2hxs h ALA 160 Cb 1.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2hxs h ALA 160 CO 0.38 0.26 -0.05 -0.22 0.00 0.00 0.00 179.25 179.62 2hxs h LYS 161 N 0.01 0.30 0.00 0.00 3.64 -1.94 -3.33 116.57 115.25 2hxs h LYS 161 Ca -0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2hxs h LYS 161 Cb 0.37 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2hxs h LYS 161 CO 0.03 0.60 -0.99 0.25 -2.27 0.00 0.00 179.45 177.07 2hxs n THR 162 N -4.67 0.00 -0.06 1.00 -2.24 -1.16 -4.98 114.28 102.17 2hxs n THR 162 Ca -0.06 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2hxs n THR 162 Cb 0.28 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 2hxs n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hxs n GLY 163 N 1.45 1.16 3.67 3.38 0.00 0.11 -5.01 105.19 109.95 2hxs n GLY 163 Ca 0.03 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.53 2hxs n GLY 163 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hxs n ASP 164 N 0.00 2.93 0.00 1.61 -0.08 -1.07 -1.83 116.55 118.11 2hxs n ASP 164 Ca 0.00 0.94 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 2hxs n ASP 164 Cb 0.00 -1.28 0.00 0.00 2.34 0.00 0.00 41.12 42.18 2hxs n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2hxs n SER 165 N 6.62 -3.99 0.05 1.67 7.64 -1.26 -1.36 113.62 122.99 2hxs n SER 165 Ca 0.26 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.02 2hxs n SER 165 Cb 0.23 -2.14 -0.08 0.00 -1.01 0.00 0.00 64.21 61.21 2hxs n SER 165 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2hxs h VAL 166 N 0.00 0.95 -0.63 0.44 2.07 -1.66 -1.38 116.25 116.04 2hxs h VAL 166 Ca 0.00 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.53 2hxs h VAL 166 Cb 0.49 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 2hxs h VAL 166 CO 0.00 0.23 0.27 0.15 0.02 0.00 0.00 177.57 178.24 2hxs h PHE 167 N -0.78 0.49 -1.01 1.57 3.57 -1.91 -1.98 116.94 116.90 2hxs h PHE 167 Ca -0.02 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2hxs h PHE 167 Cb 0.53 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 2hxs h PHE 167 CO 0.08 0.16 0.65 1.25 -2.23 0.00 0.00 178.31 178.23 2hxs h LEU 168 N 0.49 1.07 0.36 0.59 5.85 -1.92 0.50 115.31 122.25 2hxs h LEU 168 Ca 0.31 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 2hxs h LEU 168 Cb 0.34 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2hxs h LEU 168 CO -0.27 0.70 -0.18 0.00 -0.34 0.00 0.00 178.44 178.36 2hxs h PHE 170 N -0.56 1.16 -0.42 0.00 0.04 -1.10 -1.56 116.94 114.49 2hxs h PHE 170 Ca -0.05 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.60 2hxs h PHE 170 Cb 0.42 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 2hxs h PHE 170 CO -0.03 0.89 0.17 0.37 -0.60 0.00 0.00 178.31 179.11 2hxs h GLN 171 N 1.10 0.63 -0.64 1.51 4.15 -0.81 -0.72 115.11 120.32 2hxs h GLN 171 Ca 0.25 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 2hxs h GLN 171 Cb 0.24 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2hxs h GLN 171 CO -0.02 0.58 0.11 0.87 -1.93 0.00 0.00 178.83 178.44 2hxs h LYS 172 N 0.54 1.05 -0.20 1.69 1.57 -0.80 -0.96 116.57 119.45 2hxs h LYS 172 Ca 0.14 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2hxs h LYS 172 Cb 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2hxs h LYS 172 CO -0.01 0.95 0.06 0.28 -0.57 0.00 0.00 179.45 180.16 2hxs h VAL 173 N 0.98 1.19 -0.42 0.50 2.07 -1.16 -0.33 116.25 119.09 2hxs h VAL 173 Ca 0.20 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.17 2hxs h VAL 173 Cb 0.41 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 2hxs h VAL 173 CO 0.01 0.19 0.11 0.00 0.02 0.00 0.00 177.57 177.91 2hxs h ALA 174 N 0.88 0.48 -0.64 1.67 0.00 -0.94 -0.65 119.26 120.05 2hxs h ALA 174 Ca 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2hxs h ALA 174 Cb 0.24 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2hxs h ALA 174 CO -0.00 -0.28 0.35 0.00 0.00 0.00 0.00 179.25 179.31 2hxs h ALA 175 N 1.30 0.83 0.00 0.00 0.00 -1.00 -2.74 119.26 117.64 2hxs h ALA 175 Ca 0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2hxs h ALA 175 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2hxs h ALA 175 CO -0.24 0.35 -0.37 1.49 0.00 0.00 0.00 179.25 180.48 2hxs h GLU 176 N 0.88 0.00 -0.97 0.00 4.81 -0.65 -0.12 114.58 118.54 2hxs h GLU 176 Ca 0.23 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2hxs h GLU 176 Cb 0.05 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 2hxs h GLU 176 CO -0.04 0.37 0.63 0.82 -0.73 0.00 0.00 179.01 180.06 2hxs h ILE 177 N 0.00 1.07 -0.32 2.32 2.04 -0.83 -1.05 117.51 120.74 2hxs h ILE 177 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2hxs h ILE 177 Cb 0.87 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2hxs h ILE 177 CO 0.05 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.58 2hxs n LEU 178 N -4.50 1.91 0.00 1.44 4.77 -0.60 -4.92 117.00 115.10 2hxs n LEU 178 Ca 0.15 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2hxs n LEU 178 Cb 0.21 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2hxs n LEU 178 CO 0.32 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2hxs n GLY 179 N 0.93 0.39 3.36 -0.72 0.00 -0.40 -5.04 105.19 103.72 2hxs n GLY 179 Ca 0.11 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 2hxs n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hxs s ILE 180 N -2.00 3.32 -0.35 -0.61 1.01 -0.16 -4.97 121.20 117.45 2hxs s ILE 180 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 2hxs s ILE 180 Cb 0.00 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 2hxs s ILE 180 CO 0.00 0.47 0.45 -0.54 0.00 0.00 0.00 174.94 175.32 2hxs s LYS 181 N 0.92 3.58 0.17 2.79 -0.14 -1.26 -2.70 119.74 123.10 2hxs s LYS 181 Ca -0.01 -0.29 -0.30 0.00 -1.36 0.00 0.00 55.97 54.01 2hxs s LYS 181 Cb -0.15 -3.81 -0.08 0.00 -1.68 0.00 0.00 37.83 32.11 2hxs s LYS 181 CO 0.00 -0.60 1.14 -0.51 -0.76 0.00 0.00 175.35 174.62 2hxs s LEU 182 N 2.23 4.47 -0.21 3.17 1.43 -1.26 -5.00 118.68 123.50 2hxs s LEU 182 Ca 0.16 2.13 -0.14 0.00 -1.03 0.00 0.00 54.13 55.24 2hxs s LEU 182 Cb -0.16 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 2hxs s LEU 182 CO 0.13 -0.28 0.32 0.21 0.23 0.00 0.00 176.35 176.95 2hxs s ASN 183 N 0.04 6.33 0.00 2.29 2.47 -1.26 -5.16 114.94 119.66 2hxs s ASN 183 Ca 0.51 0.39 0.00 0.00 0.42 0.00 0.00 52.86 54.18 2hxs s ASN 183 Cb -0.30 -2.19 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 2hxs s ASN 183 CO 0.35 -0.03 0.15 0.29 -3.72 0.00 0.00 177.10 174.15