#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxs s VAL 8 N 0.00 3.69 -0.04 1.61 0.11 -1.26 -5.05 120.40 119.45 2uxs s VAL 8 Ca 0.00 1.31 -0.26 0.00 -2.93 0.00 0.00 61.98 60.10 2uxs s VAL 8 Cb 0.00 -3.69 0.06 0.00 -1.53 0.00 0.00 36.38 31.22 2uxs s VAL 8 CO 0.00 0.03 0.56 0.00 -3.33 0.00 0.00 175.10 172.36 2uxs s GLN 9 N -2.44 0.93 0.34 1.54 -2.07 -1.26 -4.38 119.66 112.32 2uxs s GLN 9 Ca 0.57 0.13 -0.06 0.00 -1.82 0.00 0.00 55.36 54.19 2uxs s GLN 9 Cb -0.23 0.43 0.01 0.00 -1.09 0.00 0.00 33.01 32.14 2uxs s GLN 9 CO 0.29 -0.28 0.52 -0.59 -1.32 0.00 0.00 175.29 173.90 2uxs s PHE 10 N -1.21 0.85 -0.16 9.60 -0.12 -0.47 -4.98 117.98 121.49 2uxs s PHE 10 Ca -0.12 -1.16 -0.14 0.00 -0.05 0.00 0.00 56.93 55.47 2uxs s PHE 10 Cb -0.02 0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.40 2uxs s PHE 10 CO 0.08 -1.17 0.29 -0.51 -0.05 0.00 0.00 175.22 173.86 2uxs s ASP 11 N -3.19 6.43 -0.11 1.98 1.01 -1.26 -0.53 116.67 120.99 2uxs s ASP 11 Ca 0.27 0.50 -0.05 0.00 0.71 0.00 0.00 52.55 53.98 2uxs s ASP 11 Cb -0.01 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 2uxs s ASP 11 CO 0.18 0.10 0.08 -0.69 0.21 0.00 0.00 175.17 175.04 2uxs s VAL 12 N 0.49 4.98 -0.36 -1.27 1.01 -0.06 -0.39 120.40 124.80 2uxs s VAL 12 Ca 0.16 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 2uxs s VAL 12 Cb -0.13 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.12 2uxs s VAL 12 CO 0.04 0.60 0.21 -0.89 0.00 0.00 0.00 175.10 175.06 2uxs s THR 13 N -0.88 4.68 0.04 3.92 2.01 -0.49 -0.55 115.64 124.37 2uxs s THR 13 Ca 0.14 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 2uxs s THR 13 Cb -0.12 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 2uxs s THR 13 CO 0.03 -0.18 1.40 -0.63 -0.69 0.00 0.00 174.62 174.55 2uxs s ILE 14 N 1.58 3.58 -0.22 1.82 -1.09 -0.63 -2.43 121.20 123.82 2uxs s ILE 14 Ca 0.03 1.04 -0.02 0.00 -2.23 0.00 0.00 60.65 59.47 2uxs s ILE 14 Cb -0.19 -3.67 -0.19 0.00 -1.58 0.00 0.00 42.46 36.83 2uxs s ILE 14 CO 0.07 0.03 -0.06 -0.62 -1.23 0.00 0.00 174.94 173.12 2uxs n GLU 15 N 4.89 0.67 -3.86 2.79 1.02 0.12 0.13 120.64 126.41 2uxs n GLU 15 Ca 0.13 0.20 -0.26 0.00 -0.02 0.00 0.00 57.16 57.20 2uxs n GLU 15 Cb 0.43 -1.58 -0.17 0.00 -0.02 0.00 0.00 31.44 30.11 2uxs n GLU 15 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2uxs s ILE 16 N -2.53 0.87 0.38 -3.67 1.01 0.32 -4.36 121.20 113.22 2uxs s ILE 16 Ca -0.32 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 59.77 2uxs s ILE 16 Cb 0.09 -0.99 -0.10 0.00 0.01 0.00 0.00 42.46 41.47 2uxs s ILE 16 CO 0.64 0.25 1.34 -2.84 0.00 0.00 0.00 174.94 174.33 2uxs s PRO 17 N 1.76 4.12 0.06 2.79 0.02 -1.26 -0.79 135.00 141.70 2uxs s PRO 17 Ca 0.04 2.25 -0.36 0.00 0.02 0.00 0.00 61.00 62.95 2uxs s PRO 17 Cb -0.13 -2.90 -0.19 0.00 0.02 0.00 0.00 34.50 31.30 2uxs s PRO 17 CO -0.07 -0.40 0.89 1.17 -0.33 0.00 0.00 177.00 178.25 2uxs n LYS 18 N 0.40 0.00 0.00 5.54 4.81 -1.25 -1.91 118.16 125.75 2uxs n LYS 18 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2uxs n LYS 18 Cb 0.42 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.14 2uxs n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2uxs n GLY 19 N 1.63 2.28 3.77 3.14 0.00 -0.67 -4.90 105.19 110.44 2uxs n GLY 19 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2uxs n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uxs s GLN 20 N -0.71 4.68 -0.03 1.61 -1.52 -0.80 -4.70 119.66 118.20 2uxs s GLN 20 Ca 0.00 1.33 0.14 0.00 -1.95 0.00 0.00 55.36 54.88 2uxs s GLN 20 Cb 0.00 -3.15 -0.22 0.00 -0.22 0.00 0.00 33.01 29.42 2uxs s GLN 20 CO 0.00 0.48 0.30 -2.13 -0.25 0.00 0.00 175.29 173.69 2uxs n ARG 21 N 1.27 0.50 -2.02 2.91 0.63 -1.26 -1.80 116.66 116.90 2uxs n ARG 21 Ca -0.02 -0.13 -0.42 0.00 -0.92 0.00 0.00 57.85 56.36 2uxs n ARG 21 Cb 0.48 -1.34 -0.03 0.00 0.45 0.00 0.00 32.46 32.02 2uxs n ARG 21 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2uxs s ASN 22 N -3.71 6.67 -0.79 6.15 0.01 -1.26 -1.87 114.94 120.13 2uxs s ASN 22 Ca -0.05 2.56 -0.12 0.00 -0.71 0.00 0.00 52.86 54.53 2uxs s ASN 22 Cb 0.09 -2.60 0.21 0.00 0.41 0.00 0.00 41.25 39.36 2uxs s ASN 22 CO 0.60 -0.74 0.71 -0.75 -1.51 0.00 0.00 177.10 175.41 2uxs s LYS 23 N 0.71 3.43 0.44 -0.60 2.47 0.54 -4.96 119.74 121.76 2uxs s LYS 23 Ca 0.66 -2.48 -0.19 0.00 -1.56 0.00 0.00 55.97 52.40 2uxs s LYS 23 Cb -0.41 -4.31 -0.10 0.00 -1.46 0.00 0.00 37.83 31.55 2uxs s LYS 23 CO 0.34 -1.27 0.92 0.71 0.16 0.00 0.00 175.35 176.21 2uxs s TYR 24 N 0.12 3.36 0.01 4.03 2.02 -1.26 -1.38 117.35 124.25 2uxs s TYR 24 Ca 0.18 1.49 -0.05 0.00 -0.37 0.00 0.00 57.07 58.32 2uxs s TYR 24 Cb -0.12 -2.77 -0.01 0.00 -0.40 0.00 0.00 41.96 38.66 2uxs s TYR 24 CO -0.08 -0.15 0.08 -1.83 -1.57 0.00 0.00 175.55 172.01 2uxs s GLU 25 N -3.41 0.45 -0.10 -0.62 -1.05 0.50 -4.60 118.70 109.87 2uxs s GLU 25 Ca 0.60 -0.51 -0.19 0.00 -0.15 0.00 0.00 54.97 54.72 2uxs s GLU 25 Cb -0.09 0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 2uxs s GLU 25 CO 0.19 -0.10 0.50 0.08 0.95 0.00 0.00 175.26 176.88 2uxs s VAL 26 N -1.59 5.14 0.00 1.83 1.01 -1.26 -0.49 120.40 125.05 2uxs s VAL 26 Ca -0.14 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 2uxs s VAL 26 Cb -0.07 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2uxs s VAL 26 CO -0.00 0.34 1.15 -0.62 0.00 0.00 0.00 175.10 175.97 2uxs s ASP 27 N 0.46 7.13 0.11 3.32 2.15 -0.06 -4.94 116.67 124.85 2uxs s ASP 27 Ca 0.27 1.86 0.25 0.00 0.43 0.00 0.00 52.55 55.36 2uxs s ASP 27 Cb -0.16 -2.57 0.58 0.00 -0.30 0.00 0.00 42.92 40.47 2uxs s ASP 27 CO 0.12 -0.46 1.51 1.41 -0.17 0.00 0.00 175.17 177.57 2uxs n HIS 28 N 4.38 0.52 -0.10 -5.34 8.25 -1.26 -1.74 115.22 119.92 2uxs n HIS 28 Ca 0.09 0.15 -0.17 0.00 -0.26 0.00 0.00 57.72 57.53 2uxs n HIS 28 Cb 0.47 -0.66 -0.07 0.00 1.12 0.00 0.00 29.99 30.85 2uxs n HIS 28 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2uxs n GLU 29 N -2.00 0.53 0.25 -0.41 0.00 -1.26 -4.60 120.64 113.15 2uxs n GLU 29 Ca 0.05 0.45 0.15 0.00 0.00 0.00 0.00 57.16 57.81 2uxs n GLU 29 Cb 0.41 -1.64 0.51 0.00 0.00 0.00 0.00 31.44 30.72 2uxs n GLU 29 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2uxs h THR 30 N -1.00 0.07 0.00 3.84 1.35 -1.99 -3.46 112.91 111.72 2uxs h THR 30 Ca -0.28 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2uxs h THR 30 Cb 1.11 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2uxs h THR 30 CO -0.17 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.74 2uxs n GLY 31 N 0.36 2.68 3.80 5.82 0.00 -0.71 -5.02 105.19 112.13 2uxs n GLY 31 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2uxs n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uxs s ARG 32 N -0.02 3.41 -0.01 1.61 0.52 -1.25 -4.68 118.95 118.53 2uxs s ARG 32 Ca 0.00 1.27 -0.07 0.00 -0.52 0.00 0.00 55.73 56.41 2uxs s ARG 32 Cb 0.00 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 2uxs s ARG 32 CO 0.00 -0.74 0.25 0.54 0.02 0.00 0.00 175.30 175.36 2uxs s VAL 33 N -2.31 5.33 -0.02 3.52 0.11 -1.26 -0.88 120.40 124.89 2uxs s VAL 33 Ca 0.65 0.19 0.03 0.00 -2.93 0.00 0.00 61.98 59.91 2uxs s VAL 33 Cb -0.17 -3.55 -0.00 0.00 -1.53 0.00 0.00 36.38 31.14 2uxs s VAL 33 CO 0.33 0.42 -0.09 -0.60 -3.33 0.00 0.00 175.10 171.83 2uxs s ARG 34 N -1.62 0.81 -0.73 1.54 3.52 0.36 -4.96 118.95 117.88 2uxs s ARG 34 Ca 0.25 -0.30 -0.21 0.00 -0.13 0.00 0.00 55.73 55.35 2uxs s ARG 34 Cb -0.13 -0.78 0.09 0.00 -1.56 0.00 0.00 34.95 32.58 2uxs s ARG 34 CO 0.14 0.14 0.97 -1.17 -0.81 0.00 0.00 175.30 174.58 2uxs s LEU 35 N 0.02 4.72 0.03 -0.88 1.98 -1.26 -0.37 118.68 122.91 2uxs s LEU 35 Ca -0.00 -1.36 -0.30 0.00 -2.89 0.00 0.00 54.13 49.58 2uxs s LEU 35 Cb -0.06 -2.40 -0.17 0.00 0.66 0.00 0.00 46.19 44.23 2uxs s LEU 35 CO -0.00 -1.29 1.26 -0.78 -1.89 0.00 0.00 176.35 173.65 2uxs h ASP 36 N 9.30 -0.92 -4.79 3.68 3.58 -1.56 -3.48 116.42 122.24 2uxs h ASP 36 Ca -0.16 0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.39 2uxs h ASP 36 Cb 1.06 0.24 -0.14 0.00 1.72 0.00 0.00 39.33 42.21 2uxs h ASP 36 CO 1.15 -0.56 0.40 0.00 -2.88 0.00 0.00 179.24 177.34 2uxs s ARG 37 N -5.08 1.00 -0.08 0.28 1.70 -1.21 -5.04 118.95 110.51 2uxs s ARG 37 Ca -0.16 -0.38 -0.19 0.00 -0.47 0.00 0.00 55.73 54.53 2uxs s ARG 37 Cb 0.02 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2uxs s ARG 37 CO 0.47 -0.44 0.53 -0.47 -1.08 0.00 0.00 175.30 174.31 2uxs s TYR 38 N -3.35 3.57 0.44 5.89 5.04 -1.26 -0.34 117.35 127.34 2uxs s TYR 38 Ca 0.04 1.01 -0.26 0.00 -2.44 0.00 0.00 57.07 55.42 2uxs s TYR 38 Cb -0.01 -2.58 -0.08 0.00 0.35 0.00 0.00 41.96 39.63 2uxs s TYR 38 CO -0.10 0.22 1.40 -0.51 -1.34 0.00 0.00 175.55 175.23 2uxs s LEU 39 N 0.39 4.14 0.38 6.97 1.43 -0.78 -4.89 118.68 126.31 2uxs s LEU 39 Ca 0.28 2.87 0.25 0.00 -1.03 0.00 0.00 54.13 56.50 2uxs s LEU 39 Cb -0.16 -3.92 0.56 0.00 0.03 0.00 0.00 46.19 42.70 2uxs s LEU 39 CO 0.13 -1.10 1.69 1.88 0.23 0.00 0.00 176.35 179.18 2uxs h TYR 40 N 2.42 0.00 -2.75 0.29 -1.99 -1.93 -3.45 116.97 109.55 2uxs h TYR 40 Ca -0.51 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 59.64 2uxs h TYR 40 Cb 1.26 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.95 2uxs h TYR 40 CO 0.51 0.00 -0.50 0.95 -0.00 0.00 0.00 178.16 179.12 2uxs s THR 41 N -3.21 5.20 -1.49 -2.88 -4.23 -1.26 -4.88 115.64 102.89 2uxs s THR 41 Ca 0.08 -0.62 -0.09 0.00 -1.18 0.00 0.00 61.69 59.87 2uxs s THR 41 Cb 0.07 -3.61 -0.08 0.00 1.34 0.00 0.00 72.50 70.22 2uxs s THR 41 CO 0.63 0.01 2.78 -0.81 -0.54 0.00 0.00 174.62 176.69 2uxs n PRO 42 N -0.14 3.37 -4.46 3.99 -0.04 -1.26 -4.85 135.00 131.61 2uxs n PRO 42 Ca -0.07 -2.08 -0.23 0.00 -0.04 0.00 0.00 63.50 61.09 2uxs n PRO 42 Cb 0.53 -2.75 -0.10 0.00 -0.04 0.00 0.00 33.50 31.13 2uxs n PRO 42 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2uxs s MET 43 N 2.45 1.64 -0.02 0.54 -1.94 -1.26 -5.16 119.30 115.55 2uxs s MET 43 Ca 0.64 -1.83 -0.04 0.00 -1.71 0.00 0.00 55.69 52.75 2uxs s MET 43 Cb 0.16 -1.35 0.00 0.00 2.01 0.00 0.00 34.83 35.66 2uxs s MET 43 CO -0.05 0.08 0.09 0.00 -0.01 0.00 0.00 175.02 175.13 2uxs s ALA 44 N -2.87 -0.21 -0.24 3.03 0.00 -1.26 -4.60 121.76 115.61 2uxs s ALA 44 Ca 0.30 0.04 -0.41 0.00 0.00 0.00 0.00 51.96 51.90 2uxs s ALA 44 Cb 0.03 -0.05 -0.17 0.00 0.00 0.00 0.00 23.12 22.93 2uxs s ALA 44 CO 0.13 -0.11 1.62 0.66 0.00 0.00 0.00 175.76 178.07 2uxs n TYR 45 N 2.40 1.84 0.22 0.00 4.02 -0.74 -4.70 117.16 120.20 2uxs n TYR 45 Ca -0.17 0.67 0.09 0.00 -0.01 0.00 0.00 57.90 58.48 2uxs n TYR 45 Cb 0.58 -2.38 0.52 0.00 -0.02 0.00 0.00 39.34 38.03 2uxs n TYR 45 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2uxs h PRO 46 N 6.20 0.00 -4.37 -0.72 0.13 -1.93 -1.79 132.00 129.53 2uxs h PRO 46 Ca -0.47 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 2uxs h PRO 46 Cb 1.33 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.35 2uxs h PRO 46 CO 0.92 0.24 -0.38 0.95 -0.23 0.00 0.00 178.00 179.50 2uxs s THR 47 N -3.95 0.00 0.21 1.56 -4.23 -1.26 -4.85 115.64 103.12 2uxs s THR 47 Ca -0.01 -1.78 -0.31 0.00 -1.18 0.00 0.00 61.69 58.40 2uxs s THR 47 Cb 0.12 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 71.37 2uxs s THR 47 CO 0.64 0.00 1.53 -1.81 -0.54 0.00 0.00 174.62 174.44 2uxs s ASP 48 N -3.21 6.58 -0.01 3.99 1.11 -1.19 -3.85 116.67 120.10 2uxs s ASP 48 Ca 0.34 2.68 0.04 0.00 0.18 0.00 0.00 52.55 55.80 2uxs s ASP 48 Cb 0.03 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.39 2uxs s ASP 48 CO 0.17 -0.80 -0.14 -0.47 1.18 0.00 0.00 175.17 175.12 2uxs s TYR 49 N 0.59 1.25 0.00 4.23 5.04 0.03 -1.07 117.35 127.42 2uxs s TYR 49 Ca 0.65 -0.24 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 2uxs s TYR 49 Cb -0.44 -0.80 0.00 0.00 0.35 0.00 0.00 41.96 41.07 2uxs s TYR 49 CO 0.38 -0.02 0.00 0.41 -1.34 0.00 0.00 175.55 174.98 2uxs n GLY 50 N 2.69 2.22 3.23 8.97 0.00 -0.46 0.14 105.19 121.98 2uxs n GLY 50 Ca -0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 2uxs n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2uxs s PHE 51 N 0.24 0.01 -0.25 1.61 -0.12 -1.02 -1.25 117.98 117.21 2uxs s PHE 51 Ca 0.00 -0.33 -0.24 0.00 -0.05 0.00 0.00 56.93 56.31 2uxs s PHE 51 Cb 0.00 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 2uxs s PHE 51 CO 0.00 -0.55 0.80 0.42 -0.05 0.00 0.00 175.22 175.84 2uxs s ILE 52 N -3.39 4.86 0.21 -4.49 1.01 0.58 -1.39 121.20 118.60 2uxs s ILE 52 Ca 0.01 1.49 -0.32 0.00 0.00 0.00 0.00 60.65 61.83 2uxs s ILE 52 Cb 0.02 -4.09 -0.13 0.00 0.01 0.00 0.00 42.46 38.28 2uxs s ILE 52 CO -0.09 -0.06 1.59 1.21 0.00 0.00 0.00 174.94 177.59 2uxs n GLU 53 N 5.97 2.40 -2.99 2.79 4.07 0.47 -2.89 120.64 130.46 2uxs n GLU 53 Ca 0.05 0.86 -0.13 0.00 -0.06 0.00 0.00 57.16 57.88 2uxs n GLU 53 Cb 0.48 -2.63 0.04 0.00 -0.06 0.00 0.00 31.44 29.26 2uxs n GLU 53 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2uxs n ASP 54 N 3.06 -4.33 -4.41 4.31 8.00 -1.26 -4.71 116.55 117.22 2uxs n ASP 54 Ca 0.14 -0.26 -0.21 0.00 0.71 0.00 0.00 54.79 55.17 2uxs n ASP 54 Cb 0.32 -2.98 -0.10 0.00 -0.02 0.00 0.00 41.12 38.34 2uxs n ASP 54 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2uxs s THR 55 N -3.10 1.74 -0.11 -3.53 -4.23 -1.14 -4.48 115.64 100.79 2uxs s THR 55 Ca 0.28 -2.17 -0.04 0.00 -1.18 0.00 0.00 61.69 58.59 2uxs s THR 55 Cb -0.12 -2.35 0.06 0.00 1.34 0.00 0.00 72.50 71.43 2uxs s THR 55 CO 0.35 -0.38 0.18 -0.22 -0.54 0.00 0.00 174.62 174.02 2uxs s LEU 56 N -3.42 -0.11 0.00 4.79 2.96 0.07 -4.05 118.68 118.91 2uxs s LEU 56 Ca 0.28 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 2uxs s LEU 56 Cb 0.02 0.35 0.00 0.00 0.50 0.00 0.00 46.19 47.06 2uxs s LEU 56 CO 0.11 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 2uxs n GLY 57 N 5.33 -0.57 0.25 7.98 0.00 0.17 -4.39 105.19 113.96 2uxs n GLY 57 Ca -0.05 -1.70 0.16 0.00 0.00 0.00 0.00 46.02 44.43 2uxs n GLY 57 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2uxs h ASP 58 N 0.00 0.00 -0.00 1.61 5.19 -1.97 -3.27 116.42 117.97 2uxs h ASP 58 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2uxs h ASP 58 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 2uxs h ASP 58 CO 0.00 0.00 -0.56 -0.90 -3.12 0.00 0.00 179.24 174.66 2uxs n ASP 59 N -2.94 1.63 -0.89 6.45 5.75 -1.26 -4.94 116.55 120.35 2uxs n ASP 59 Ca 0.01 -3.69 -0.12 0.00 -0.01 0.00 0.00 54.79 50.99 2uxs n ASP 59 Cb 0.32 -0.50 -0.05 0.00 -1.03 0.00 0.00 41.12 39.85 2uxs n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uxs n GLY 60 N -0.93 1.12 3.44 6.12 0.00 -1.23 -4.98 105.19 108.72 2uxs n GLY 60 Ca 0.18 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2uxs n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uxs s ASP 61 N -2.44 3.89 0.67 1.61 1.01 -1.26 -4.88 116.67 115.25 2uxs s ASP 61 Ca 0.00 -0.25 -0.17 0.00 0.71 0.00 0.00 52.55 52.84 2uxs s ASP 61 Cb 0.00 -0.87 -0.01 0.00 1.01 0.00 0.00 42.92 43.06 2uxs s ASP 61 CO 0.00 0.32 1.20 -0.81 0.21 0.00 0.00 175.17 176.09 2uxs n PRO 62 N 2.46 0.93 -2.04 8.23 -0.04 -1.26 0.46 135.00 143.74 2uxs n PRO 62 Ca -0.17 0.37 -0.41 0.00 -0.04 0.00 0.00 63.50 63.25 2uxs n PRO 62 Cb 0.52 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 2uxs n PRO 62 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2uxs s LEU 63 N -4.00 4.40 0.56 1.53 2.96 -1.26 -4.69 118.68 118.18 2uxs s LEU 63 Ca 0.80 2.71 -0.16 0.00 -0.22 0.00 0.00 54.13 57.26 2uxs s LEU 63 Cb -0.37 -3.64 -0.06 0.00 0.50 0.00 0.00 46.19 42.62 2uxs s LEU 63 CO 0.43 -0.64 1.03 -1.81 -1.32 0.00 0.00 176.35 174.04 2uxs s ASP 64 N -0.07 6.15 -0.08 3.68 1.01 -1.22 -0.30 116.67 125.83 2uxs s ASP 64 Ca 0.54 1.73 -0.06 0.00 0.71 0.00 0.00 52.55 55.47 2uxs s ASP 64 Cb -0.41 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.02 2uxs s ASP 64 CO 0.50 -0.92 0.19 0.00 0.21 0.00 0.00 175.17 175.15 2uxs s ALA 65 N -2.49 -0.45 -0.20 5.23 0.00 -0.38 -1.29 121.76 122.19 2uxs s ALA 65 Ca 0.62 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 2uxs s ALA 65 Cb -0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2uxs s ALA 65 CO 0.34 -0.13 0.08 -0.51 0.00 0.00 0.00 175.76 175.54 2uxs s LEU 66 N 0.57 3.85 -0.13 0.00 1.43 0.88 -1.36 118.68 123.92 2uxs s LEU 66 Ca -0.04 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2uxs s LEU 66 Cb -0.05 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2uxs s LEU 66 CO -0.03 0.14 -0.14 -0.69 0.23 0.00 0.00 176.35 175.86 2uxs s VAL 67 N 0.58 2.94 -0.24 -1.59 1.01 -0.24 -0.08 120.40 122.79 2uxs s VAL 67 Ca 0.04 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 2uxs s VAL 67 Cb -0.13 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 2uxs s VAL 67 CO 0.01 0.53 0.73 -0.76 0.00 0.00 0.00 175.10 175.61 2uxs s LEU 68 N 0.37 4.09 0.07 3.92 1.02 -0.46 -3.14 118.68 124.54 2uxs s LEU 68 Ca -0.12 0.90 0.04 0.00 0.02 0.00 0.00 54.13 54.97 2uxs s LEU 68 Cb -0.16 -3.03 -0.03 0.00 0.02 0.00 0.00 46.19 42.99 2uxs s LEU 68 CO 0.06 -0.42 -0.11 -0.76 0.02 0.00 0.00 176.35 175.14 2uxs s LEU 69 N 2.55 2.30 0.27 1.79 1.43 -1.26 -4.28 118.68 121.49 2uxs s LEU 69 Ca 0.31 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2uxs s LEU 69 Cb -0.15 -0.32 0.37 0.00 0.03 0.00 0.00 46.19 46.12 2uxs s LEU 69 CO 0.08 -0.18 1.74 1.55 0.23 0.00 0.00 176.35 179.77 2uxs h PRO 70 N 4.17 0.65 -3.70 1.29 0.13 -2.05 -3.44 132.00 129.05 2uxs h PRO 70 Ca -0.38 -0.21 -0.34 0.00 -0.87 0.00 0.00 66.00 64.21 2uxs h PRO 70 Cb 1.19 -0.06 -0.34 0.00 0.13 0.00 0.00 31.00 31.93 2uxs h PRO 70 CO 0.44 0.76 -0.75 -1.14 -0.23 0.00 0.00 178.00 177.08 2uxs s GLN 71 N -4.74 0.27 0.70 0.86 2.00 -1.26 -5.14 119.66 112.34 2uxs s GLN 71 Ca -0.08 0.09 -0.16 0.00 -2.00 0.00 0.00 55.36 53.20 2uxs s GLN 71 Cb 0.14 -0.46 0.00 0.00 0.80 0.00 0.00 33.01 33.50 2uxs s GLN 71 CO 0.80 -0.14 1.08 -0.35 -0.50 0.00 0.00 175.29 176.19 2uxs n PRO 72 N 4.14 0.68 -0.89 1.67 -0.04 -1.26 -5.05 135.00 134.25 2uxs n PRO 72 Ca -0.27 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2uxs n PRO 72 Cb 0.50 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 2uxs n PRO 72 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2uxs n VAL 73 N -2.34 0.00 -4.06 0.52 0.24 -1.26 -5.03 118.33 106.39 2uxs n VAL 73 Ca 0.14 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.13 2uxs n VAL 73 Cb 0.49 -1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 31.79 2uxs n VAL 73 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2uxs s PHE 74 N 1.09 3.20 0.31 6.34 0.40 -1.26 -4.55 117.98 123.51 2uxs s PHE 74 Ca 0.00 0.09 -0.29 0.00 -0.60 0.00 0.00 56.93 56.14 2uxs s PHE 74 Cb 0.00 -1.63 -0.13 0.00 0.51 0.00 0.00 43.02 41.77 2uxs s PHE 74 CO 0.00 0.52 1.27 -2.30 0.70 0.00 0.00 175.22 175.41 2uxs n PRO 75 N 0.56 2.00 0.00 0.24 -0.02 -1.26 -1.84 135.00 134.67 2uxs n PRO 75 Ca -0.09 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2uxs n PRO 75 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2uxs n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uxs n GLY 76 N 1.09 2.13 3.72 -1.23 0.00 0.12 -4.99 105.19 106.03 2uxs n GLY 76 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2uxs n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uxs s VAL 77 N -2.60 3.96 0.08 1.61 1.01 -0.77 -4.77 120.40 118.93 2uxs s VAL 77 Ca 0.00 1.52 -0.27 0.00 0.00 0.00 0.00 61.98 63.23 2uxs s VAL 77 Cb 0.00 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 2uxs s VAL 77 CO 0.00 0.18 0.83 -0.76 0.00 0.00 0.00 175.10 175.35 2uxs s LEU 78 N 0.43 4.49 -0.07 3.92 1.43 -1.26 -1.60 118.68 126.01 2uxs s LEU 78 Ca 0.55 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 55.24 2uxs s LEU 78 Cb -0.29 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.60 2uxs s LEU 78 CO 0.32 0.02 -0.09 0.54 0.23 0.00 0.00 176.35 177.37 2uxs s VAL 79 N -0.21 0.95 -0.15 -1.59 0.11 0.29 -4.99 120.40 114.81 2uxs s VAL 79 Ca 0.41 -0.34 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 2uxs s VAL 79 Cb -0.22 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2uxs s VAL 79 CO 0.26 0.32 1.16 0.00 -3.33 0.00 0.00 175.10 173.51 2uxs s ALA 80 N 0.93 3.60 0.10 1.54 0.00 -1.26 -0.88 121.76 125.78 2uxs s ALA 80 Ca -0.10 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 2uxs s ALA 80 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 2uxs s ALA 80 CO 0.01 -0.97 0.02 0.00 0.00 0.00 0.00 175.76 174.81 2uxs s ALA 81 N 2.93 0.71 0.04 0.00 0.00 0.31 -0.81 121.76 124.94 2uxs s ALA 81 Ca 0.52 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2uxs s ALA 81 Cb -0.20 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2uxs s ALA 81 CO 0.15 -0.44 -0.09 -0.98 0.00 0.00 0.00 175.76 174.40 2uxs s ARG 82 N -3.99 0.57 0.17 0.00 1.70 0.00 -1.36 118.95 116.03 2uxs s ARG 82 Ca 0.17 -0.74 -0.21 0.00 -0.47 0.00 0.00 55.73 54.48 2uxs s ARG 82 Cb 0.08 -0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 33.99 2uxs s ARG 82 CO -0.03 0.08 0.69 -1.25 -1.08 0.00 0.00 175.30 173.70 2uxs s PRO 83 N -1.47 4.30 0.00 3.89 0.04 -1.26 -1.36 135.00 139.13 2uxs s PRO 83 Ca -0.08 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2uxs s PRO 83 Cb -0.09 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2uxs s PRO 83 CO 0.01 0.50 0.06 1.33 0.04 0.00 0.00 177.00 178.94 2uxs n VAL 84 N 1.17 0.00 -1.38 -0.36 0.24 0.91 -4.89 118.33 114.02 2uxs n VAL 84 Ca -0.05 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2uxs n VAL 84 Cb 0.50 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 2uxs n VAL 84 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uxs n GLY 85 N 0.74 -1.68 3.31 7.63 0.00 -1.17 -1.43 105.19 112.59 2uxs n GLY 85 Ca 0.00 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 2uxs n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2uxs s MET 86 N -1.56 0.47 -0.35 1.61 1.75 -0.13 -0.39 119.30 120.70 2uxs s MET 86 Ca 0.00 0.66 -0.17 0.00 -1.25 0.00 0.00 55.69 54.93 2uxs s MET 86 Cb 0.00 0.17 -0.01 0.00 2.84 0.00 0.00 34.83 37.83 2uxs s MET 86 CO 0.00 -0.09 0.44 0.12 -0.65 0.00 0.00 175.02 174.84 2uxs s PHE 87 N 0.58 3.19 -0.19 4.11 5.36 0.60 -0.79 117.98 130.85 2uxs s PHE 87 Ca -0.03 0.07 -0.16 0.00 -0.96 0.00 0.00 56.93 55.85 2uxs s PHE 87 Cb -0.05 -2.81 -0.04 0.00 -0.34 0.00 0.00 43.02 39.79 2uxs s PHE 87 CO -0.03 -0.49 0.42 1.03 -1.46 0.00 0.00 175.22 174.69 2uxs s ARG 88 N 2.21 4.19 -0.06 10.12 0.52 -0.18 -1.07 118.95 134.69 2uxs s ARG 88 Ca 0.15 0.26 -0.06 0.00 -0.52 0.00 0.00 55.73 55.56 2uxs s ARG 88 Cb -0.16 -3.53 0.02 0.00 0.52 0.00 0.00 34.95 31.80 2uxs s ARG 88 CO 0.12 -0.04 0.17 1.41 0.02 0.00 0.00 175.30 176.98 2uxs s MET 89 N 1.29 0.19 -0.25 3.54 -2.45 -0.67 -0.56 119.30 120.39 2uxs s MET 89 Ca 0.20 0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.92 2uxs s MET 89 Cb -0.15 0.07 0.06 0.00 1.25 0.00 0.00 34.83 36.06 2uxs s MET 89 CO 0.08 -0.04 -0.12 0.08 1.05 0.00 0.00 175.02 176.08 2uxs s VAL 90 N 0.19 2.14 0.00 10.11 1.01 -1.26 0.97 120.40 133.56 2uxs s VAL 90 Ca -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.42 2uxs s VAL 90 Cb -0.02 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2uxs s VAL 90 CO -0.00 0.03 0.00 -0.90 0.00 0.00 0.00 175.10 174.23 2uxs n ASP 91 N 4.46 0.25 0.20 3.32 5.68 -0.61 -0.68 116.55 129.16 2uxs n ASP 91 Ca -0.15 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.28 2uxs n ASP 91 Cb 0.43 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.78 2uxs n ASP 91 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2uxs h GLU 92 N 0.00 0.00 -0.64 0.11 9.09 -1.88 -1.52 114.58 119.75 2uxs h GLU 92 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2uxs h GLU 92 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2uxs h GLU 92 CO 0.00 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.78 2uxs n HIS 93 N -2.84 1.65 -3.28 2.06 8.25 -1.26 -5.06 115.22 114.73 2uxs n HIS 93 Ca 0.03 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.88 2uxs n HIS 93 Cb 0.43 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.18 2uxs n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uxs n GLY 94 N 0.84 -1.45 3.54 -1.41 0.00 -0.57 -4.94 105.19 101.20 2uxs n GLY 94 Ca 0.25 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 2uxs n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uxs n GLY 95 N 0.00 -0.74 3.60 -0.02 0.00 -1.26 -1.58 105.19 105.19 2uxs n GLY 95 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 2uxs n GLY 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uxs s ASP 96 N -0.81 -0.84 0.15 1.61 -1.08 0.27 -4.85 116.67 111.12 2uxs s ASP 96 Ca 0.63 1.25 0.10 0.00 -0.52 0.00 0.00 52.55 54.01 2uxs s ASP 96 Cb -0.61 1.67 -0.04 0.00 -1.46 0.00 0.00 42.92 42.48 2uxs s ASP 96 CO 0.57 -0.19 -0.22 -1.81 0.52 0.00 0.00 175.17 174.05 2uxs s ASP 97 N 2.09 3.61 -0.15 -0.34 1.01 -1.26 -1.67 116.67 119.96 2uxs s ASP 97 Ca -0.07 -0.70 -0.03 0.00 0.71 0.00 0.00 52.55 52.46 2uxs s ASP 97 Cb -0.07 -0.37 0.05 0.00 1.01 0.00 0.00 42.92 43.54 2uxs s ASP 97 CO -0.18 0.16 0.03 -0.54 0.21 0.00 0.00 175.17 174.85 2uxs s LYS 98 N -2.30 0.57 -0.02 8.23 1.02 -0.23 -3.45 119.74 123.56 2uxs s LYS 98 Ca 0.18 -0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 2uxs s LYS 98 Cb -0.10 -1.71 -0.05 0.00 -0.52 0.00 0.00 37.83 35.45 2uxs s LYS 98 CO 0.09 -0.54 1.35 0.08 -0.92 0.00 0.00 175.35 175.42 2uxs s VAL 99 N 1.93 3.86 -0.14 3.17 1.01 -0.41 -0.29 120.40 129.52 2uxs s VAL 99 Ca 0.01 1.22 -0.22 0.00 0.00 0.00 0.00 61.98 62.99 2uxs s VAL 99 Cb -0.15 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2uxs s VAL 99 CO -0.07 -0.01 0.67 -0.22 0.00 0.00 0.00 175.10 175.47 2uxs s LEU 100 N 2.41 4.22 0.09 3.92 2.96 0.48 -0.09 118.68 132.67 2uxs s LEU 100 Ca 0.62 1.01 0.05 0.00 -0.22 0.00 0.00 54.13 55.59 2uxs s LEU 100 Cb -0.30 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 2uxs s LEU 100 CO 0.25 -0.21 -0.14 0.00 -1.32 0.00 0.00 176.35 174.93 2uxs s VAL 102 N -1.67 2.32 0.20 0.00 -7.23 -0.47 -1.36 120.40 112.19 2uxs s VAL 102 Ca 0.02 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 57.88 2uxs s VAL 102 Cb -0.08 -2.83 -0.10 0.00 0.56 0.00 0.00 36.38 33.93 2uxs s VAL 102 CO 0.02 -0.12 1.53 -2.84 -0.31 0.00 0.00 175.10 173.39 2uxs s PRO 103 N -3.71 4.22 0.40 4.82 0.02 -1.26 -0.82 135.00 138.67 2uxs s PRO 103 Ca 0.35 2.37 -0.25 0.00 0.02 0.00 0.00 61.00 63.49 2uxs s PRO 103 Cb 0.04 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.35 2uxs s PRO 103 CO 0.19 -0.56 1.12 0.00 -0.33 0.00 0.00 177.00 177.42 2uxs s ALA 104 N 0.68 3.11 -2.04 -1.55 0.00 0.01 -3.84 121.76 118.12 2uxs s ALA 104 Ca 0.66 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2uxs s ALA 104 Cb -0.44 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2uxs s ALA 104 CO 0.37 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2uxs n GLY 105 N 0.53 1.42 3.22 0.00 0.00 -1.26 -4.91 105.19 104.18 2uxs n GLY 105 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2uxs n GLY 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uxs s ASP 106 N -2.56 5.24 0.35 1.61 -1.08 -1.25 -4.98 116.67 114.00 2uxs s ASP 106 Ca 0.00 -1.41 0.24 0.00 -0.52 0.00 0.00 52.55 50.87 2uxs s ASP 106 Cb 0.00 -1.84 1.28 0.00 -1.46 0.00 0.00 42.92 40.90 2uxs s ASP 106 CO 0.00 -0.39 1.75 1.55 0.52 0.00 0.00 175.17 178.60 2uxs h PRO 107 N 8.16 0.00 0.00 4.34 0.13 -1.92 -1.90 132.00 140.81 2uxs h PRO 107 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2uxs h PRO 107 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2uxs h PRO 107 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 2uxs h ARG 108 N 0.00 0.00 -0.31 0.86 3.08 -1.97 -2.33 114.38 113.71 2uxs h ARG 108 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2uxs h ARG 108 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2uxs h ARG 108 CO 0.00 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.81 2uxs n TRP 109 N -2.74 0.40 0.01 3.04 7.02 -0.71 -4.70 117.44 119.75 2uxs n TRP 109 Ca 0.00 -0.27 0.13 0.00 -1.02 0.00 0.00 57.50 56.34 2uxs n TRP 109 Cb 0.21 -0.01 0.57 0.00 -2.42 0.00 0.00 31.31 29.66 2uxs n TRP 109 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2uxs h ASP 110 N 3.31 0.20 0.69 -0.99 5.19 -1.54 -0.18 116.42 123.11 2uxs h ASP 110 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2uxs h ASP 110 Cb 0.81 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.28 2uxs h ASP 110 CO 0.00 0.13 0.00 0.00 -3.12 0.00 0.00 179.24 176.25 2uxs n HIS 111 N -4.46 0.25 -3.38 4.55 1.44 -1.26 -4.45 115.22 107.92 2uxs n HIS 111 Ca 0.07 0.09 -0.45 0.00 -2.01 0.00 0.00 57.72 55.43 2uxs n HIS 111 Cb 0.36 -0.65 -0.06 0.00 0.12 0.00 0.00 29.99 29.76 2uxs n HIS 111 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2uxs s VAL 112 N -3.08 4.96 -0.02 0.61 1.01 -0.08 -4.87 120.40 118.92 2uxs s VAL 112 Ca 0.08 -1.64 0.02 0.00 0.00 0.00 0.00 61.98 60.44 2uxs s VAL 112 Cb 0.11 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2uxs s VAL 112 CO 0.35 -0.85 0.03 1.67 0.00 0.00 0.00 175.10 176.30 2uxs n GLN 113 N 5.08 2.26 -4.04 2.72 -0.06 -1.26 -4.97 117.38 117.11 2uxs n GLN 113 Ca -0.11 -0.01 -0.12 0.00 -2.00 0.00 0.00 57.00 54.76 2uxs n GLN 113 Cb 0.40 -1.06 -0.04 0.00 -4.06 0.00 0.00 30.24 25.48 2uxs n GLN 113 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2uxs s ASP 114 N -2.93 0.47 0.54 1.69 -1.08 -1.26 -4.82 116.67 109.28 2uxs s ASP 114 Ca -0.01 -1.27 0.36 0.00 -0.52 0.00 0.00 52.55 51.11 2uxs s ASP 114 Cb 0.01 0.64 1.84 0.00 -1.46 0.00 0.00 42.92 43.95 2uxs s ASP 114 CO 0.11 -1.26 2.09 0.16 0.52 0.00 0.00 175.17 176.79 2uxs h ILE 115 N 2.17 0.00 0.00 4.11 -0.00 -1.57 -0.96 117.51 121.25 2uxs h ILE 115 Ca -0.28 -0.12 -0.00 0.00 -0.00 0.00 0.00 64.86 64.45 2uxs h ILE 115 Cb 1.24 0.99 -0.00 0.00 -0.00 0.00 0.00 36.82 39.05 2uxs h ILE 115 CO 0.39 0.00 -0.02 1.23 -0.00 0.00 0.00 178.15 179.75 2uxs h GLY 116 N 0.60 0.00 -0.06 0.16 0.00 -1.96 -2.84 103.07 98.98 2uxs h GLY 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2uxs h GLY 116 CO 0.00 0.00 -0.25 1.22 0.00 0.00 0.00 176.54 177.51 2uxs n ASP 117 N -3.45 1.26 -4.64 0.19 8.00 -0.37 -4.80 116.55 112.74 2uxs n ASP 117 Ca -0.03 -1.07 -0.35 0.00 0.71 0.00 0.00 54.79 54.06 2uxs n ASP 117 Cb 0.11 0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 2uxs n ASP 117 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2uxs s VAL 118 N -2.43 4.91 0.49 2.53 1.01 -1.07 -4.85 120.40 120.99 2uxs s VAL 118 Ca 0.25 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 2uxs s VAL 118 Cb 0.19 -3.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 2uxs s VAL 118 CO 0.50 0.45 1.23 -2.84 0.00 0.00 0.00 175.10 174.44 2uxs s PRO 119 N 0.45 3.54 0.24 2.72 0.02 -1.26 -4.82 135.00 135.89 2uxs s PRO 119 Ca 0.04 1.94 -0.06 0.00 0.02 0.00 0.00 61.00 62.94 2uxs s PRO 119 Cb -0.12 -2.35 0.44 0.00 0.02 0.00 0.00 34.50 32.49 2uxs s PRO 119 CO 0.00 -0.78 1.68 0.00 -0.33 0.00 0.00 177.00 177.57 2uxs h ALA 120 N 1.84 0.90 -0.13 -1.55 0.00 -1.93 -1.24 119.26 117.15 2uxs h ALA 120 Ca -0.50 0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.62 2uxs h ALA 120 Cb 1.27 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2uxs h ALA 120 CO 0.59 -0.35 0.14 0.27 0.00 0.00 0.00 179.25 179.90 2uxs h PHE 121 N 0.24 0.00 0.11 0.00 -5.15 -1.99 0.69 116.94 110.85 2uxs h PHE 121 Ca 0.40 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 58.01 2uxs h PHE 121 Cb 0.69 0.00 0.02 0.00 0.22 0.00 0.00 35.95 36.88 2uxs h PHE 121 CO -0.28 0.00 -0.71 1.49 -2.00 0.00 0.00 178.31 176.81 2uxs h GLU 122 N 0.00 0.28 -0.69 6.09 4.57 -1.58 -2.65 114.58 120.60 2uxs h GLU 122 Ca 0.06 -0.46 -0.06 0.00 -1.18 0.00 0.00 59.36 57.72 2uxs h GLU 122 Cb 0.35 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 2uxs h GLU 122 CO -0.00 1.20 0.18 -0.07 -1.18 0.00 0.00 179.01 179.15 2uxs h LEU 123 N -0.40 1.01 -0.68 1.64 3.38 -1.08 -1.51 115.31 117.67 2uxs h LEU 123 Ca -0.12 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 2uxs h LEU 123 Cb 1.54 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2uxs h LEU 123 CO 0.13 0.96 -0.30 0.44 0.09 0.00 0.00 178.44 179.77 2uxs h ASP 124 N 1.03 0.72 -0.05 -0.43 5.19 -1.01 0.55 116.42 122.42 2uxs h ASP 124 Ca 0.22 -0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 2uxs h ASP 124 Cb 0.33 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.64 2uxs h ASP 124 CO -0.00 0.97 0.01 0.00 -3.12 0.00 0.00 179.24 177.10 2uxs h ALA 125 N 1.07 0.06 -0.29 3.45 0.00 -1.26 0.26 119.26 122.56 2uxs h ALA 125 Ca 0.07 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2uxs h ALA 125 Cb 0.81 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 2uxs h ALA 125 CO 0.07 -0.30 -0.02 0.82 0.00 0.00 0.00 179.25 179.82 2uxs h ILE 126 N -0.16 0.77 -0.74 0.00 2.04 -1.11 -1.36 117.51 116.94 2uxs h ILE 126 Ca 0.01 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2uxs h ILE 126 Cb 0.27 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2uxs h ILE 126 CO 0.00 0.01 0.32 0.50 0.00 0.00 0.00 178.15 178.98 2uxs h LYS 127 N 0.06 1.09 -0.78 2.37 3.64 -0.72 -2.24 116.57 119.97 2uxs h LYS 127 Ca 0.14 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2uxs h LYS 127 Cb 0.19 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 2uxs h LYS 127 CO -0.25 0.87 0.49 1.25 -2.27 0.00 0.00 179.45 179.54 2uxs h HIS 128 N 1.05 0.92 0.24 1.91 2.76 -0.07 -2.32 115.15 119.64 2uxs h HIS 128 Ca 0.25 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 2uxs h HIS 128 Cb 0.17 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 2uxs h HIS 128 CO 0.01 0.51 -0.27 0.35 -1.30 0.00 0.00 177.93 177.23 2uxs h PHE 129 N 0.95 -0.73 0.00 5.26 3.57 -0.68 -2.64 116.94 122.66 2uxs h PHE 129 Ca 0.32 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 2uxs h PHE 129 Cb 0.05 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2uxs h PHE 129 CO -0.03 -0.39 -0.09 0.74 -2.23 0.00 0.00 178.31 176.31 2uxs h PHE 130 N -0.56 0.00 0.00 0.41 0.04 -1.13 0.27 116.94 115.97 2uxs h PHE 130 Ca -0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 2uxs h PHE 130 Cb 0.53 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 2uxs h PHE 130 CO -0.19 0.09 -0.91 0.28 -0.60 0.00 0.00 178.31 176.98 2uxs h VAL 131 N 0.00 1.44 0.00 -0.55 2.07 -1.38 -3.39 116.25 114.45 2uxs h VAL 131 Ca -0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 2uxs h VAL 131 Cb 0.48 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2uxs h VAL 131 CO 0.01 0.74 -1.25 1.41 0.02 0.00 0.00 177.57 178.51 2uxs n HIS 132 N -3.70 0.00 0.21 1.57 8.25 -0.98 -4.69 115.22 115.88 2uxs n HIS 132 Ca -0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.52 2uxs n HIS 132 Cb 0.82 -0.19 0.69 0.00 1.12 0.00 0.00 29.99 32.43 2uxs n HIS 132 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 2uxs h TYR 133 N 0.00 0.00 -0.59 4.41 -0.00 -1.14 0.15 116.97 119.79 2uxs h TYR 133 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2uxs h TYR 133 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.16 2uxs h TYR 133 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 2uxs n LYS 134 N -4.41 4.24 -0.09 0.10 5.02 -1.26 -4.19 118.16 117.57 2uxs n LYS 134 Ca -0.00 -3.01 0.09 0.00 -2.02 0.00 0.00 58.31 53.36 2uxs n LYS 134 Cb 0.19 -2.06 0.45 0.00 -0.02 0.00 0.00 35.03 33.59 2uxs n LYS 134 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2uxs h ASP 135 N 3.91 0.46 -0.54 4.39 3.32 -1.24 -2.07 116.42 124.65 2uxs h ASP 135 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2uxs h ASP 135 Cb 1.70 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 2uxs h ASP 135 CO 0.35 0.29 0.02 0.18 -1.72 0.00 0.00 179.24 178.36 2uxs n LEU 136 N -4.48 5.42 -4.20 1.55 4.77 -1.26 -4.82 117.00 113.98 2uxs n LEU 136 Ca 0.09 -2.76 -0.36 0.00 -0.03 0.00 0.00 56.01 52.96 2uxs n LEU 136 Cb 0.28 -0.68 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 2uxs n LEU 136 CO 0.34 0.61 -0.33 -0.70 -1.33 0.00 0.00 177.39 175.98 2uxs s GLU 137 N -2.64 2.48 0.42 3.23 2.12 -0.78 -4.97 118.70 118.56 2uxs s GLU 137 Ca 0.51 -1.24 -0.25 0.00 0.36 0.00 0.00 54.97 54.34 2uxs s GLU 137 Cb 0.39 -3.25 -0.10 0.00 0.26 0.00 0.00 34.13 31.42 2uxs s GLU 137 CO 0.15 -0.63 1.13 -2.30 -0.54 0.00 0.00 175.26 173.06 2uxs n PRO 138 N 4.67 1.59 0.00 4.30 -0.02 -1.26 -2.07 135.00 142.21 2uxs n PRO 138 Ca -0.13 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2uxs n PRO 138 Cb 0.44 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2uxs n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uxs n GLY 139 N 1.02 2.47 3.70 -1.23 0.00 -1.26 -4.97 105.19 104.93 2uxs n GLY 139 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2uxs n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uxs s LYS 140 N 0.00 4.25 0.30 1.61 1.02 -0.88 -4.88 119.74 121.16 2uxs s LYS 140 Ca 0.00 0.26 -0.05 0.00 0.02 0.00 0.00 55.97 56.20 2uxs s LYS 140 Cb 0.00 -3.47 -0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2uxs s LYS 140 CO 0.00 0.10 0.43 -0.59 -0.92 0.00 0.00 175.35 174.37 2uxs s PHE 141 N 0.87 0.86 -0.00 3.18 -0.12 -1.26 -4.74 117.98 116.76 2uxs s PHE 141 Ca 0.21 -1.13 0.03 0.00 -0.05 0.00 0.00 56.93 55.99 2uxs s PHE 141 Cb -0.14 -0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.18 2uxs s PHE 141 CO 0.08 -1.03 -0.09 0.08 -0.05 0.00 0.00 175.22 174.20 2uxs s VAL 142 N -3.49 0.73 0.00 -2.49 1.01 -1.26 -3.01 120.40 111.89 2uxs s VAL 142 Ca 0.29 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2uxs s VAL 142 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2uxs s VAL 142 CO 0.16 0.16 0.00 1.17 0.00 0.00 0.00 175.10 176.59 2uxs n LYS 143 N 2.72 1.99 0.00 2.72 3.00 0.14 -5.01 118.16 123.73 2uxs n LYS 143 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 2uxs n LYS 143 Cb 0.57 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.65 2uxs n LYS 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2uxs n ALA 144 N -2.08 1.13 -2.59 3.14 0.00 -1.23 -4.97 120.51 113.91 2uxs n ALA 144 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2uxs n ALA 144 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 2uxs n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uxs n ALA 145 N -1.46 -3.72 -3.61 0.00 0.00 -1.16 -4.92 120.51 105.63 2uxs n ALA 145 Ca 0.00 2.32 -0.07 0.00 0.00 0.00 0.00 53.44 55.70 2uxs n ALA 145 Cb 0.00 -4.54 -0.01 0.00 0.00 0.00 0.00 19.45 14.90 2uxs n ALA 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2uxs n ASP 146 N 1.62 -0.99 -4.40 0.00 5.75 0.28 -5.00 116.55 113.82 2uxs n ASP 146 Ca -0.40 -2.15 -0.31 0.00 -0.01 0.00 0.00 54.79 51.93 2uxs n ASP 146 Cb 0.62 1.78 -0.14 0.00 -1.03 0.00 0.00 41.12 42.35 2uxs n ASP 146 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2uxs s TRP 147 N -3.95 2.47 0.19 2.11 0.52 -1.26 -1.01 118.94 118.01 2uxs s TRP 147 Ca 0.16 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 55.99 2uxs s TRP 147 Cb -0.01 -1.47 -0.05 0.00 -1.15 0.00 0.00 33.47 30.79 2uxs s TRP 147 CO 0.12 0.16 -0.01 0.14 0.02 0.00 0.00 176.95 177.37 2uxs s VAL 148 N -0.81 0.85 0.66 4.03 -7.23 0.03 -4.96 120.40 112.98 2uxs s VAL 148 Ca 0.13 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.21 2uxs s VAL 148 Cb -0.10 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.71 2uxs s VAL 148 CO 0.03 -0.47 1.00 1.51 -0.31 0.00 0.00 175.10 176.86 2uxs s ASP 149 N -3.21 5.27 0.39 4.85 -4.77 -1.26 -0.95 116.67 116.99 2uxs s ASP 149 Ca 0.24 0.75 0.22 0.00 -3.30 0.00 0.00 52.55 50.47 2uxs s ASP 149 Cb 0.05 -1.57 1.27 0.00 -1.09 0.00 0.00 42.92 41.59 2uxs s ASP 149 CO 0.05 -1.33 1.64 -0.09 0.70 0.00 0.00 175.17 176.14 2uxs h ARG 150 N -0.46 0.18 -0.03 2.11 2.43 -1.83 0.37 114.38 117.15 2uxs h ARG 150 Ca -0.45 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.73 2uxs h ARG 150 Cb 1.28 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 2uxs h ARG 150 CO 0.62 0.12 -0.12 0.00 -1.51 0.00 0.00 179.97 179.08 2uxs h ALA 151 N 1.74 -0.11 -0.26 2.80 0.00 -1.92 0.31 119.26 121.82 2uxs h ALA 151 Ca 0.77 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.54 2uxs h ALA 151 Cb 2.12 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 2uxs h ALA 151 CO -0.52 -0.60 -0.49 0.93 0.00 0.00 0.00 179.25 178.56 2uxs h GLU 152 N -0.19 0.71 -0.18 0.00 5.08 -1.31 -2.26 114.58 116.43 2uxs h GLU 152 Ca 0.05 -0.42 0.05 0.00 -1.00 0.00 0.00 59.36 58.04 2uxs h GLU 152 Cb 0.26 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 2uxs h GLU 152 CO -0.14 1.04 -0.24 0.00 -1.00 0.00 0.00 179.01 178.68 2uxs h ALA 153 N 0.88 -0.17 -0.95 3.43 0.00 -1.13 -1.63 119.26 119.70 2uxs h ALA 153 Ca 0.03 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2uxs h ALA 153 Cb 1.06 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 2uxs h ALA 153 CO 0.10 -0.68 0.61 0.93 0.00 0.00 0.00 179.25 180.21 2uxs h GLU 154 N -0.27 0.98 -0.21 0.00 5.08 -0.16 -1.43 114.58 118.56 2uxs h GLU 154 Ca 0.12 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2uxs h GLU 154 Cb 0.45 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2uxs h GLU 154 CO -0.34 0.65 -0.30 0.00 -1.00 0.00 0.00 179.01 178.01 2uxs h ALA 155 N 1.52 0.32 -0.64 3.43 0.00 -1.06 -1.96 119.26 120.87 2uxs h ALA 155 Ca 0.44 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2uxs h ALA 155 Cb 0.35 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2uxs h ALA 155 CO -0.20 0.34 0.18 1.49 0.00 0.00 0.00 179.25 181.06 2uxs h GLU 156 N 0.26 1.01 -0.06 0.00 4.57 -0.96 -2.12 114.58 117.28 2uxs h GLU 156 Ca 0.02 -0.23 0.04 0.00 -1.18 0.00 0.00 59.36 58.01 2uxs h GLU 156 Cb 0.88 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.29 2uxs h GLU 156 CO 0.07 0.90 -0.23 0.28 -1.18 0.00 0.00 179.01 178.85 2uxs h VAL 157 N 0.93 0.46 -0.62 0.32 2.07 -1.24 -1.92 116.25 116.25 2uxs h VAL 157 Ca 0.20 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.84 2uxs h VAL 157 Cb 0.33 0.46 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 2uxs h VAL 157 CO -0.00 0.00 0.16 -0.61 0.02 0.00 0.00 177.57 177.13 2uxs h GLN 158 N -0.32 0.29 -0.64 1.57 5.75 -0.87 -0.05 115.11 120.83 2uxs h GLN 158 Ca 0.08 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 2uxs h GLN 158 Cb 0.44 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 2uxs h GLN 158 CO -0.25 0.19 0.13 0.00 -2.65 0.00 0.00 178.83 176.25 2uxs h ARG 159 N 0.29 1.03 -0.04 1.69 3.08 -1.16 -2.03 114.38 117.25 2uxs h ARG 159 Ca 0.32 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 2uxs h ARG 159 Cb 0.47 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2uxs h ARG 159 CO -0.39 0.93 -0.54 0.77 -1.07 0.00 0.00 179.97 179.67 2uxs h SER 160 N 0.98 0.12 -0.37 7.04 0.02 -0.35 0.12 113.55 121.09 2uxs h SER 160 Ca 0.20 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2uxs h SER 160 Cb 0.38 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2uxs h SER 160 CO 0.01 0.64 0.07 0.58 -1.14 0.00 0.00 176.83 176.99 2uxs h VAL 161 N 0.08 1.23 -0.34 2.27 2.07 -0.85 0.52 116.25 121.23 2uxs h VAL 161 Ca -0.00 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 2uxs h VAL 161 Cb 0.99 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2uxs h VAL 161 CO 0.08 0.28 -0.21 -0.33 0.02 0.00 0.00 177.57 177.40 2uxs h GLU 162 N 0.45 0.64 -0.52 1.57 3.07 -1.01 -2.46 114.58 116.32 2uxs h GLU 162 Ca 0.11 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.36 58.66 2uxs h GLU 162 Cb 0.34 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 2uxs h GLU 162 CO 0.00 0.81 0.01 0.00 -1.40 0.00 0.00 179.01 178.43 2uxs h ARG 163 N 0.57 0.88 0.00 2.33 3.08 -0.73 -2.75 114.38 117.76 2uxs h ARG 163 Ca 0.09 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 2uxs h ARG 163 Cb 0.67 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2uxs h ARG 163 CO 0.05 0.87 -0.17 0.35 -1.07 0.00 0.00 179.97 180.00 2uxs h PHE 164 N 0.81 0.00 -0.07 3.04 3.57 -0.93 -1.40 116.94 121.96 2uxs h PHE 164 Ca 0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2uxs h PHE 164 Cb 0.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2uxs h PHE 164 CO 0.03 0.17 0.00 1.63 -2.23 0.00 0.00 178.31 177.91 2uxs n LYS 165 N -3.93 1.51 0.00 1.11 5.02 -0.96 -5.01 118.16 115.91 2uxs n LYS 165 Ca -0.02 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 2uxs n LYS 165 Cb 0.26 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2uxs n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88