#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyg h ASP 16 N 0.00 0.65 -3.31 4.39 3.32 -1.84 -3.43 116.42 116.19 1xyg h ASP 16 Ca 0.00 -0.04 -0.64 0.00 0.02 0.00 0.00 57.03 56.37 1xyg h ASP 16 Cb 0.00 -0.16 -0.19 0.00 0.22 0.00 0.00 39.33 39.19 1xyg h ASP 16 CO 0.00 0.50 -0.64 -0.63 -1.72 0.00 0.00 179.24 176.75 1xyg s ILE 17 N -6.05 4.14 -0.32 0.35 -1.09 -0.41 -5.05 121.20 112.77 1xyg s ILE 17 Ca -0.13 -0.27 -0.13 0.00 -2.23 0.00 0.00 60.65 57.88 1xyg s ILE 17 Cb 0.12 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 38.17 1xyg s ILE 17 CO 0.75 0.51 0.29 -0.13 -1.23 0.00 0.00 174.94 175.12 1xyg s ARG 18 N 0.14 3.69 -0.11 2.79 0.52 -1.26 -0.84 118.95 123.89 1xyg s ARG 18 Ca 0.00 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 54.71 1xyg s ARG 18 Cb -0.13 -3.75 -0.05 0.00 0.52 0.00 0.00 34.95 31.54 1xyg s ARG 18 CO 0.02 -0.39 0.21 0.42 0.02 0.00 0.00 175.30 175.59 1xyg s ILE 19 N 1.87 5.37 -0.12 1.52 -1.09 0.18 -0.65 121.20 128.28 1xyg s ILE 19 Ca 0.09 0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.88 1xyg s ILE 19 Cb -0.17 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1xyg s ILE 19 CO 0.11 0.56 -0.07 -0.83 -1.23 0.00 0.00 174.94 173.48 1xyg s GLY 20 N -0.68 1.67 -0.26 6.18 0.00 -0.35 -1.15 107.32 112.72 1xyg s GLY 20 Ca 0.16 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1xyg s GLY 20 CO 0.05 -0.29 -0.08 -2.27 0.00 0.00 0.00 173.10 170.51 1xyg s LEU 21 N -0.01 3.46 -0.42 0.66 2.96 0.79 -0.92 118.68 125.19 1xyg s LEU 21 Ca -0.01 -1.26 -0.20 0.00 -0.22 0.00 0.00 54.13 52.44 1xyg s LEU 21 Cb -0.14 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.97 1xyg s LEU 21 CO 0.03 -0.19 0.62 -0.76 -1.32 0.00 0.00 176.35 174.73 1xyg s LEU 22 N 1.18 4.48 0.00 -0.68 1.02 -0.21 -0.47 118.68 124.01 1xyg s LEU 22 Ca -0.06 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.80 1xyg s LEU 22 Cb -0.19 -2.71 0.00 0.00 0.02 0.00 0.00 46.19 43.31 1xyg s LEU 22 CO -0.04 -0.73 0.00 0.61 0.02 0.00 0.00 176.35 176.21 1xyg n GLY 23 N 4.98 0.39 0.18 -3.19 0.00 -0.63 -0.23 105.19 106.69 1xyg n GLY 23 Ca -0.02 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.62 1xyg n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyg n ALA 24 N -0.50 3.47 1.56 4.61 0.00 0.46 -4.28 120.51 125.83 1xyg n ALA 24 Ca 0.00 -0.44 0.15 0.00 0.00 0.00 0.00 53.44 53.15 1xyg n ALA 24 Cb 0.23 -1.05 0.77 0.00 0.00 0.00 0.00 19.45 19.41 1xyg n ALA 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xyg n SER 25 N -0.92 0.13 -4.93 0.00 3.41 -1.26 -4.04 113.62 106.01 1xyg n SER 25 Ca 0.09 -0.47 -0.20 0.00 -0.26 0.00 0.00 58.87 58.03 1xyg n SER 25 Cb 0.36 -0.16 0.06 0.00 -0.26 0.00 0.00 64.21 64.21 1xyg n SER 25 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xyg s GLY 26 N -2.40 1.78 0.24 5.00 0.00 -1.26 -4.94 107.32 105.74 1xyg s GLY 26 Ca 0.33 -1.88 -0.06 0.00 0.00 0.00 0.00 44.72 43.12 1xyg s GLY 26 CO 0.44 -1.46 1.80 -0.97 0.00 0.00 0.00 173.10 172.91 1xyg h TYR 27 N 0.07 1.11 -0.15 1.90 0.05 -1.94 -1.01 116.97 117.00 1xyg h TYR 27 Ca -0.34 -0.09 -0.09 0.00 0.05 0.00 0.00 58.73 58.26 1xyg h TYR 27 Cb 1.28 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 1xyg h TYR 27 CO 0.26 0.86 -0.32 1.79 -1.05 0.00 0.00 178.16 179.69 1xyg h THR 28 N 1.06 1.27 -0.25 -2.88 1.35 -1.94 -0.33 112.91 111.20 1xyg h THR 28 Ca 0.24 -1.32 -0.05 0.00 -0.55 0.00 0.00 66.41 64.73 1xyg h THR 28 Cb 0.23 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1xyg h THR 28 CO -0.02 0.40 -0.06 1.23 -0.25 0.00 0.00 175.52 176.83 1xyg h GLY 29 N 1.08 0.52 0.99 5.82 0.00 -1.64 -1.48 103.07 108.36 1xyg h GLY 29 Ca 0.03 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1xyg h GLY 29 CO 0.05 0.39 0.62 0.00 0.00 0.00 0.00 176.54 177.60 1xyg h ALA 30 N 0.76 1.19 -0.77 3.60 0.00 -0.89 -1.60 119.26 121.55 1xyg h ALA 30 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xyg h ALA 30 Cb 0.52 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1xyg h ALA 30 CO 0.02 0.56 0.38 0.93 0.00 0.00 0.00 179.25 181.14 1xyg h GLU 31 N 1.25 1.11 -0.14 0.00 4.39 -0.84 0.82 114.58 121.18 1xyg h GLU 31 Ca 0.35 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.89 1xyg h GLU 31 Cb -0.12 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.31 1xyg h GLU 31 CO -0.08 0.86 0.07 0.82 -1.16 0.00 0.00 179.01 179.52 1xyg h ILE 32 N 1.09 1.00 -0.79 3.13 1.08 -0.55 0.71 117.51 123.18 1xyg h ILE 32 Ca 0.27 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.69 1xyg h ILE 32 Cb 0.11 0.83 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 1xyg h ILE 32 CO -0.03 0.03 0.50 0.58 -0.69 0.00 0.00 178.15 178.54 1xyg h VAL 33 N 0.15 1.21 -0.18 1.67 2.07 -0.94 -0.63 116.25 119.60 1xyg h VAL 33 Ca 0.06 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1xyg h VAL 33 Cb 0.01 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1xyg h VAL 33 CO -0.04 0.21 0.07 -0.09 0.02 0.00 0.00 177.57 177.75 1xyg h ARG 34 N 1.08 0.26 -0.66 1.57 2.43 -0.38 -2.26 114.38 116.41 1xyg h ARG 34 Ca 0.29 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1xyg h ARG 34 Cb -0.08 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1xyg h ARG 34 CO -0.06 0.34 0.33 -0.07 -1.51 0.00 0.00 179.97 179.00 1xyg h LEU 35 N 0.13 0.86 -1.21 3.80 3.38 -0.55 -2.84 115.31 118.89 1xyg h LEU 35 Ca 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1xyg h LEU 35 Cb 0.17 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xyg h LEU 35 CO -0.00 0.74 -0.05 -0.07 0.09 0.00 0.00 178.44 179.15 1xyg h LEU 36 N 0.92 0.00 -0.83 1.67 3.38 -1.06 -3.30 115.31 116.09 1xyg h LEU 36 Ca 0.23 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.40 1xyg h LEU 36 Cb 0.10 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 1xyg h LEU 36 CO -0.03 0.05 0.19 0.00 0.09 0.00 0.00 178.44 178.73 1xyg h ALA 37 N 1.95 1.12 -0.29 1.53 0.00 -1.14 -0.98 119.26 121.44 1xyg h ALA 37 Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xyg h ALA 37 Cb 0.62 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xyg h ALA 37 CO 0.01 -0.42 0.00 0.09 0.00 0.00 0.00 179.25 178.93 1xyg n ASN 38 N -5.22 4.03 -4.67 0.00 3.02 -1.24 -4.95 115.26 106.22 1xyg n ASN 38 Ca 0.18 -2.98 -0.43 0.00 -0.03 0.00 0.00 54.58 51.33 1xyg n ASN 38 Cb 0.59 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 1xyg n ASN 38 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1xyg s HIS 39 N -2.76 3.29 0.54 3.10 2.46 -0.37 -4.81 115.29 116.73 1xyg s HIS 39 Ca 0.43 1.38 0.37 0.00 0.47 0.00 0.00 55.06 57.71 1xyg s HIS 39 Cb 0.34 -3.31 1.99 0.00 -0.13 0.00 0.00 32.58 31.47 1xyg s HIS 39 CO 0.10 -0.77 2.25 -1.00 -2.47 0.00 0.00 174.74 172.85 1xyg h PRO 40 N 7.46 0.00 0.00 2.88 0.13 -1.92 -3.34 132.00 137.20 1xyg h PRO 40 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xyg h PRO 40 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xyg h PRO 40 CO 0.92 0.02 -0.95 0.72 -0.23 0.00 0.00 178.00 178.48 1xyg n HIS 41 N -3.36 0.00 -3.77 1.56 8.25 -1.26 -4.79 115.22 111.85 1xyg n HIS 41 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1xyg n HIS 41 Cb 0.13 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 1xyg n HIS 41 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1xyg s PHE 42 N -1.91 3.59 -0.03 4.41 0.08 -1.26 -1.28 117.98 121.58 1xyg s PHE 42 Ca 0.00 0.60 0.01 0.00 0.12 0.00 0.00 56.93 57.66 1xyg s PHE 42 Cb 0.00 -2.06 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1xyg s PHE 42 CO 0.00 0.64 -0.02 -1.14 -0.10 0.00 0.00 175.22 174.60 1xyg s GLN 43 N -0.78 0.47 -0.18 0.44 0.74 -0.02 -4.69 119.66 115.64 1xyg s GLN 43 Ca 0.16 -0.00 -0.29 0.00 0.05 0.00 0.00 55.36 55.27 1xyg s GLN 43 Cb -0.13 -0.58 -0.01 0.00 1.10 0.00 0.00 33.01 33.39 1xyg s GLN 43 CO 0.05 -0.09 1.26 0.08 -0.55 0.00 0.00 175.29 176.04 1xyg s VAL 44 N 0.87 4.28 -0.03 1.34 1.01 -1.26 0.51 120.40 127.11 1xyg s VAL 44 Ca -0.10 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1xyg s VAL 44 Cb -0.13 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1xyg s VAL 44 CO -0.01 -0.17 0.03 0.35 0.00 0.00 0.00 175.10 175.30 1xyg n THR 45 N 5.46 0.00 -3.74 3.92 -2.24 -0.30 -4.75 114.28 112.63 1xyg n THR 45 Ca 0.14 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1xyg n THR 45 Cb 0.45 0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 69.51 1xyg n THR 45 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xyg s LEU 46 N -2.09 0.55 -0.02 3.22 2.96 -1.08 -4.86 118.68 117.36 1xyg s LEU 46 Ca 0.00 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1xyg s LEU 46 Cb 0.01 0.55 0.01 0.00 0.50 0.00 0.00 46.19 47.26 1xyg s LEU 46 CO 0.03 -0.16 -0.02 -0.04 -1.32 0.00 0.00 176.35 174.84 1xyg s MET 47 N 1.24 0.41 -0.05 1.98 -1.94 -1.26 -0.15 119.30 119.53 1xyg s MET 47 Ca -0.09 -0.05 -0.00 0.00 -1.71 0.00 0.00 55.69 53.84 1xyg s MET 47 Cb -0.11 -0.48 -0.03 0.00 2.01 0.00 0.00 34.83 36.21 1xyg s MET 47 CO -0.07 -0.04 -0.01 0.99 -0.01 0.00 0.00 175.02 175.88 1xyg s THR 48 N 0.56 4.17 0.05 2.05 2.01 0.39 -1.78 115.64 123.08 1xyg s THR 48 Ca -0.06 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 1xyg s THR 48 Cb -0.09 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.63 1xyg s THR 48 CO -0.01 0.52 0.15 0.00 -0.69 0.00 0.00 174.62 174.60 1xyg s ALA 49 N -0.95 -0.21 0.00 7.40 0.00 -0.66 0.17 121.76 127.53 1xyg s ALA 49 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1xyg s ALA 49 Cb -0.11 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1xyg s ALA 49 CO 0.05 -0.37 0.00 -3.47 0.00 0.00 0.00 175.76 171.97 1xyg n ASP 50 N 0.56 0.00 0.16 0.00 2.03 -1.26 -4.09 116.55 113.94 1xyg n ASP 50 Ca -0.18 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.14 1xyg n ASP 50 Cb 0.59 0.00 0.32 0.00 -0.72 0.00 0.00 41.12 41.32 1xyg n ASP 50 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1xyg h ARG 51 N 0.00 0.08 -0.71 -0.67 3.08 -2.00 -2.89 114.38 111.27 1xyg h ARG 51 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1xyg h ARG 51 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1xyg h ARG 51 CO 0.00 0.44 0.02 1.63 -1.07 0.00 0.00 179.97 180.99 1xyg n LYS 52 N -4.08 3.75 -1.99 0.04 5.02 -1.26 -4.94 118.16 114.70 1xyg n LYS 52 Ca -0.02 -2.27 -0.36 0.00 -2.02 0.00 0.00 58.31 53.64 1xyg n LYS 52 Cb 0.42 -2.05 0.03 0.00 -0.02 0.00 0.00 35.03 33.41 1xyg n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xyg s ALA 53 N -2.27 2.62 0.00 7.82 0.00 -1.09 -2.04 121.76 126.79 1xyg s ALA 53 Ca 0.39 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1xyg s ALA 53 Cb 0.30 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1xyg s ALA 53 CO 0.11 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1xyg n GLY 54 N 0.57 2.55 3.88 0.00 0.00 0.17 -4.96 105.19 107.40 1xyg n GLY 54 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1xyg n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xyg s GLN 55 N -0.26 3.79 0.39 1.61 -0.21 -0.87 -4.77 119.66 119.34 1xyg s GLN 55 Ca 0.00 0.29 -0.23 0.00 0.02 0.00 0.00 55.36 55.44 1xyg s GLN 55 Cb 0.00 -2.58 -0.10 0.00 1.00 0.00 0.00 33.01 31.33 1xyg s GLN 55 CO 0.00 0.22 0.96 0.45 -2.12 0.00 0.00 175.29 174.81 1xyg s SER 56 N -2.65 7.05 0.15 5.90 0.15 -1.26 -2.49 113.70 120.55 1xyg s SER 56 Ca 0.48 1.81 0.21 0.00 0.70 0.00 0.00 55.95 59.15 1xyg s SER 56 Cb -0.11 -2.56 0.85 0.00 -1.71 0.00 0.00 66.02 62.49 1xyg s SER 56 CO 0.24 -0.28 1.64 0.80 1.20 0.00 0.00 173.24 176.84 1xyg n MET 57 N -0.09 0.12 0.26 5.44 1.56 -1.26 -0.70 117.12 122.44 1xyg n MET 57 Ca 0.05 0.32 0.14 0.00 -0.27 0.00 0.00 57.70 57.94 1xyg n MET 57 Cb 0.52 -1.71 0.69 0.00 2.15 0.00 0.00 33.22 34.87 1xyg n MET 57 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1xyg h GLU 58 N 0.00 0.00 -0.08 2.12 5.08 -1.92 0.82 114.58 120.60 1xyg h GLU 58 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1xyg h GLU 58 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1xyg h GLU 58 CO 0.00 0.11 -0.46 0.77 -1.00 0.00 0.00 179.01 178.43 1xyg h SER 59 N 0.00 0.54 0.08 1.42 0.02 -1.29 -2.49 113.55 111.82 1xyg h SER 59 Ca -0.00 -0.66 -0.13 0.00 -0.84 0.00 0.00 61.79 60.16 1xyg h SER 59 Cb 0.46 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.85 1xyg h SER 59 CO 0.01 1.11 -0.62 0.58 -1.14 0.00 0.00 176.83 176.77 1xyg h VAL 60 N 0.00 1.51 -2.65 2.27 2.07 -1.38 -3.42 116.25 114.66 1xyg h VAL 60 Ca -0.03 -2.42 -0.60 0.00 0.82 0.00 0.00 66.70 64.46 1xyg h VAL 60 Cb 1.11 3.14 -0.40 0.00 -1.52 0.00 0.00 31.29 33.62 1xyg h VAL 60 CO 0.09 0.65 -0.79 0.49 0.02 0.00 0.00 177.57 178.03 1xyg n PHE 61 N -4.30 1.11 0.31 1.57 3.72 0.28 -4.97 117.46 115.17 1xyg n PHE 61 Ca -0.15 -3.79 0.14 0.00 -0.05 0.00 0.00 57.45 53.59 1xyg n PHE 61 Cb 0.70 -0.19 0.72 0.00 -0.94 0.00 0.00 39.48 39.77 1xyg n PHE 61 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xyg h PRO 62 N 5.38 0.00 0.00 -1.08 0.13 -1.54 -0.49 132.00 134.40 1xyg h PRO 62 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1xyg h PRO 62 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1xyg h PRO 62 CO 0.55 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.93 1xyg n HIS 63 N -2.74 0.23 -0.14 1.56 1.44 -1.26 -2.31 115.22 112.00 1xyg n HIS 63 Ca -0.02 0.09 0.09 0.00 -2.01 0.00 0.00 57.72 55.87 1xyg n HIS 63 Cb 0.39 -0.65 0.29 0.00 0.12 0.00 0.00 29.99 30.14 1xyg n HIS 63 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xyg n LEU 64 N -1.71 3.76 0.18 2.39 4.77 -0.19 -4.56 117.00 121.63 1xyg n LEU 64 Ca 0.03 -1.89 0.12 0.00 -0.03 0.00 0.00 56.01 54.24 1xyg n LEU 64 Cb 0.18 -0.48 0.63 0.00 -2.33 0.00 0.00 43.42 41.43 1xyg n LEU 64 CO 0.15 0.76 0.87 0.08 -1.33 0.00 0.00 177.39 177.92 1xyg h ARG 65 N 3.56 0.00 0.00 3.23 0.11 -1.65 -1.80 114.38 117.83 1xyg h ARG 65 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xyg h ARG 65 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1xyg h ARG 65 CO 0.11 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.18 1xyg h ALA 66 N 2.04 1.00 -2.56 0.08 0.00 -1.87 -3.44 119.26 114.50 1xyg h ALA 66 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1xyg h ALA 66 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xyg h ALA 66 CO 0.00 0.00 -0.28 -0.65 0.00 0.00 0.00 179.25 178.32 1xyg s GLN 67 N -3.32 3.58 -0.61 0.00 -0.21 -0.68 -5.05 119.66 113.37 1xyg s GLN 67 Ca 0.06 -0.16 -0.12 0.00 0.02 0.00 0.00 55.36 55.15 1xyg s GLN 67 Cb 0.08 -2.79 0.16 0.00 1.00 0.00 0.00 33.01 31.45 1xyg s GLN 67 CO 0.60 0.38 0.53 0.15 -2.12 0.00 0.00 175.29 174.82 1xyg s LYS 68 N -3.15 2.99 0.35 2.91 3.01 -1.26 -5.06 119.74 119.53 1xyg s LYS 68 Ca 0.41 -2.01 0.08 0.00 -1.01 0.00 0.00 55.97 53.44 1xyg s LYS 68 Cb -0.11 -4.19 -0.04 0.00 -1.01 0.00 0.00 37.83 32.48 1xyg s LYS 68 CO 0.28 -1.27 0.21 -0.51 0.51 0.00 0.00 175.35 174.56 1xyg s LEU 69 N 0.99 3.35 0.85 3.17 1.43 -1.26 -5.09 118.68 122.12 1xyg s LEU 69 Ca 0.09 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.35 1xyg s LEU 69 Cb -0.23 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.23 1xyg s LEU 69 CO -0.02 -0.37 1.10 -2.84 0.23 0.00 0.00 176.35 174.45 1xyg s PRO 70 N -3.92 1.63 0.24 1.29 0.02 -1.26 -4.96 135.00 128.03 1xyg s PRO 70 Ca 0.40 0.66 -0.28 0.00 0.02 0.00 0.00 61.00 61.79 1xyg s PRO 70 Cb -0.03 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 1xyg s PRO 70 CO 0.24 -1.94 0.90 0.99 -0.33 0.00 0.00 177.00 176.86 1xyg s THR 71 N -3.09 4.16 0.26 0.99 2.01 -1.26 -4.62 115.64 114.10 1xyg s THR 71 Ca 0.62 1.95 -0.29 0.00 0.31 0.00 0.00 61.69 64.28 1xyg s THR 71 Cb -0.16 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.02 1xyg s THR 71 CO 0.55 0.45 1.25 -0.76 -0.69 0.00 0.00 174.62 175.41 1xyg s LEU 72 N -1.32 4.46 0.43 4.42 1.43 -1.04 -4.67 118.68 122.38 1xyg s LEU 72 Ca 0.41 2.44 0.04 0.00 -1.03 0.00 0.00 54.13 56.00 1xyg s LEU 72 Cb -0.24 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1xyg s LEU 72 CO 0.29 -0.42 0.04 0.68 0.23 0.00 0.00 176.35 177.17 1xyg s VAL 73 N -0.62 1.30 0.22 -1.59 -7.23 -0.73 0.45 120.40 112.20 1xyg s VAL 73 Ca 0.51 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.52 1xyg s VAL 73 Cb -0.36 -2.56 -0.08 0.00 0.56 0.00 0.00 36.38 33.94 1xyg s VAL 73 CO 0.43 0.00 0.65 -0.55 -0.31 0.00 0.00 175.10 175.32 1xyg s SER 74 N -3.70 6.87 0.30 4.85 0.15 -1.26 -1.65 113.70 119.26 1xyg s SER 74 Ca 0.24 1.21 0.06 0.00 0.70 0.00 0.00 55.95 58.16 1xyg s SER 74 Cb 0.06 -2.34 0.74 0.00 -1.71 0.00 0.00 66.02 62.76 1xyg s SER 74 CO 0.12 -0.01 1.77 0.58 1.20 0.00 0.00 173.24 176.90 1xyg h VAL 75 N 2.49 0.70 0.00 4.45 2.07 -1.96 0.11 116.25 124.12 1xyg h VAL 75 Ca -0.48 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1xyg h VAL 75 Cb 1.19 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xyg h VAL 75 CO 0.66 0.14 -0.10 0.11 0.02 0.00 0.00 177.57 178.40 1xyg h LYS 76 N 0.75 0.00 -0.38 1.57 1.57 -1.97 -2.88 116.57 115.23 1xyg h LYS 76 Ca 0.58 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 1xyg h LYS 76 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1xyg h LYS 76 CO -0.39 0.10 0.00 -0.25 -0.57 0.00 0.00 179.45 178.34 1xyg n ASP 77 N -3.57 3.16 -4.74 0.86 8.00 0.35 -4.98 116.55 115.63 1xyg n ASP 77 Ca -0.02 -1.92 -0.39 0.00 0.71 0.00 0.00 54.79 53.17 1xyg n ASP 77 Cb 0.23 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1xyg n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xyg s ALA 78 N -1.17 3.41 -0.48 2.24 0.00 -0.90 -4.89 121.76 119.98 1xyg s ALA 78 Ca 0.32 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.24 1xyg s ALA 78 Cb 0.18 -2.87 0.08 0.00 0.00 0.00 0.00 23.12 20.51 1xyg s ALA 78 CO 0.24 0.06 0.41 0.34 0.00 0.00 0.00 175.76 176.81 1xyg s ASP 79 N 0.14 6.15 0.00 0.00 -1.08 -1.26 -4.95 116.67 115.68 1xyg s ASP 79 Ca 0.35 -1.37 0.30 0.00 -0.52 0.00 0.00 52.55 51.31 1xyg s ASP 79 Cb -0.19 -2.19 1.72 0.00 -1.46 0.00 0.00 42.92 40.81 1xyg s ASP 79 CO 0.19 -0.67 2.10 0.49 0.52 0.00 0.00 175.17 177.80 1xyg n PHE 80 N 5.22 0.00 1.59 -5.34 3.72 -1.26 -2.57 117.46 118.82 1xyg n PHE 80 Ca -0.13 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.42 1xyg n PHE 80 Cb 0.43 -0.06 0.70 0.00 -0.94 0.00 0.00 39.48 39.62 1xyg n PHE 80 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xyg n SER 81 N -1.06 0.48 -0.46 4.37 3.41 -1.26 -3.13 113.62 115.98 1xyg n SER 81 Ca 0.21 -0.82 0.13 0.00 -0.26 0.00 0.00 58.87 58.13 1xyg n SER 81 Cb 0.13 -0.06 0.44 0.00 -0.26 0.00 0.00 64.21 64.47 1xyg n SER 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1xyg n THR 82 N -0.80 0.00 -4.26 6.66 -1.04 -1.06 -4.93 114.28 108.85 1xyg n THR 82 Ca 0.18 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.05 61.80 1xyg n THR 82 Cb 0.24 0.57 -0.10 0.00 -1.82 0.00 0.00 70.33 69.22 1xyg n THR 82 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1xyg s VAL 83 N -2.14 1.25 -0.18 12.58 -7.23 -1.18 -4.96 120.40 118.53 1xyg s VAL 83 Ca 0.33 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.41 1xyg s VAL 83 Cb 0.20 -1.85 -0.22 0.00 0.56 0.00 0.00 36.38 35.08 1xyg s VAL 83 CO 0.39 -0.71 0.10 0.47 -0.31 0.00 0.00 175.10 175.04 1xyg n ASP 84 N -0.17 2.06 -4.11 4.85 8.00 0.17 -4.92 116.55 122.43 1xyg n ASP 84 Ca -0.10 0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 1xyg n ASP 84 Cb 0.60 -0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 40.91 1xyg n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xyg s ALA 85 N -2.53 0.69 0.01 2.24 0.00 -1.16 -3.19 121.76 117.81 1xyg s ALA 85 Ca -0.28 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.57 1xyg s ALA 85 Cb 0.08 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1xyg s ALA 85 CO 0.69 -0.23 -0.10 0.08 0.00 0.00 0.00 175.76 176.19 1xyg s VAL 86 N -3.14 0.79 -0.17 0.00 1.01 -0.35 -1.21 120.40 117.33 1xyg s VAL 86 Ca 0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1xyg s VAL 86 Cb 0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1xyg s VAL 86 CO -0.05 0.08 -0.09 -0.36 0.00 0.00 0.00 175.10 174.68 1xyg s PHE 87 N -0.52 2.89 -0.23 5.22 0.08 -0.10 -1.54 117.98 123.79 1xyg s PHE 87 Ca 0.01 -0.75 -0.06 0.00 0.12 0.00 0.00 56.93 56.26 1xyg s PHE 87 Cb -0.05 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1xyg s PHE 87 CO 0.00 -0.34 0.02 0.00 -0.10 0.00 0.00 175.22 174.80 1xyg s LEU 90 N -3.53 2.97 0.88 0.00 1.43 -1.24 -4.73 118.68 114.46 1xyg s LEU 90 Ca 0.48 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.88 1xyg s LEU 90 Cb 0.40 -3.14 0.12 0.00 0.03 0.00 0.00 46.19 43.60 1xyg s LEU 90 CO 0.02 -1.42 1.13 -2.84 0.23 0.00 0.00 176.35 173.47 1xyg s PRO 91 N -5.11 1.41 -0.08 1.29 0.02 -1.26 -4.53 135.00 126.74 1xyg s PRO 91 Ca 0.58 0.38 -0.30 0.00 0.02 0.00 0.00 61.00 61.69 1xyg s PRO 91 Cb -0.11 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1xyg s PRO 91 CO 0.44 -2.03 1.50 -1.01 -0.33 0.00 0.00 177.00 175.57 1xyg s HIS 92 N -3.25 2.36 0.00 6.54 3.76 -1.26 -3.32 115.29 120.12 1xyg s HIS 92 Ca 0.63 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 1xyg s HIS 92 Cb -0.15 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 29.78 1xyg s HIS 92 CO 0.53 -3.03 0.00 0.41 -0.85 0.00 0.00 174.74 171.80 1xyg n GLY 93 N 3.91 1.28 0.00 -2.22 0.00 -1.26 -4.92 105.19 101.98 1xyg n GLY 93 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1xyg n GLY 93 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xyg n THR 94 N -1.41 0.00 -0.30 2.61 -1.04 -1.21 -4.87 114.28 108.05 1xyg n THR 94 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 1xyg n THR 94 Cb 0.00 -0.11 0.31 0.00 -1.82 0.00 0.00 70.33 68.71 1xyg n THR 94 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1xyg h THR 95 N 0.00 0.89 0.21 12.58 2.02 -1.91 -3.17 112.91 123.52 1xyg h THR 95 Ca 0.00 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1xyg h THR 95 Cb 0.22 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1xyg h THR 95 CO 0.00 0.15 -0.11 1.56 0.37 0.00 0.00 175.52 177.50 1xyg h GLN 96 N 0.84 -0.28 -0.00 6.66 4.20 -1.92 -0.68 115.11 123.93 1xyg h GLN 96 Ca 0.46 0.02 -0.13 0.00 0.06 0.00 0.00 58.65 59.06 1xyg h GLN 96 Cb 0.57 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1xyg h GLN 96 CO -0.22 -0.19 -0.60 1.05 -0.67 0.00 0.00 178.83 178.20 1xyg h GLU 97 N -0.29 0.01 -0.13 1.46 4.11 -1.83 -1.44 114.58 116.47 1xyg h GLU 97 Ca -0.03 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.31 1xyg h GLU 97 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xyg h GLU 97 CO 0.04 0.61 -0.26 0.82 0.07 0.00 0.00 179.01 180.29 1xyg h ILE 98 N 0.01 1.37 -0.30 -1.06 2.04 -1.52 -2.94 117.51 115.11 1xyg h ILE 98 Ca -0.01 -1.53 -0.11 0.00 1.00 0.00 0.00 64.86 64.21 1xyg h ILE 98 Cb 1.07 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1xyg h ILE 98 CO 0.08 0.45 -0.29 0.40 0.00 0.00 0.00 178.15 178.80 1xyg h ILE 99 N -0.01 1.28 -0.20 -0.67 2.04 -1.11 -2.69 117.51 116.15 1xyg h ILE 99 Ca 0.00 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 1xyg h ILE 99 Cb 0.85 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1xyg h ILE 99 CO 0.06 0.44 0.03 0.50 0.00 0.00 0.00 178.15 179.18 1xyg h LYS 100 N 0.52 0.29 -0.12 2.37 3.64 -1.27 -2.15 116.57 119.86 1xyg h LYS 100 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xyg h LYS 100 Cb 0.76 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1xyg h LYS 100 CO 0.06 0.29 0.00 0.39 -2.27 0.00 0.00 179.45 177.92 1xyg n GLU 101 N -4.40 1.83 -2.43 1.90 -0.58 -1.04 -4.94 120.64 110.98 1xyg n GLU 101 Ca 0.00 -1.23 -0.34 0.00 -0.42 0.00 0.00 57.16 55.17 1xyg n GLU 101 Cb 0.16 -1.44 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 1xyg n GLU 101 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1xyg s LEU 102 N -1.76 3.77 0.34 -4.62 1.43 -0.81 -4.98 118.68 112.05 1xyg s LEU 102 Ca 0.35 1.92 -0.27 0.00 -1.03 0.00 0.00 54.13 55.10 1xyg s LEU 102 Cb 0.19 -4.56 -0.13 0.00 0.03 0.00 0.00 46.19 41.73 1xyg s LEU 102 CO 0.30 -0.88 1.05 -2.65 0.23 0.00 0.00 176.35 174.39 1xyg n PRO 103 N -1.19 1.47 0.18 1.29 -0.02 -1.26 -4.90 135.00 130.58 1xyg n PRO 103 Ca 0.09 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.23 1xyg n PRO 103 Cb 0.52 -1.98 0.57 0.00 -0.02 0.00 0.00 33.50 32.60 1xyg n PRO 103 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xyg h THR 104 N 1.94 0.00 -0.04 3.45 2.02 -1.97 -2.90 112.91 115.41 1xyg h THR 104 Ca -0.42 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1xyg h THR 104 Cb 1.33 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1xyg h THR 104 CO 0.60 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.49 1xyg n ALA 105 N -1.87 2.60 -2.58 6.16 0.00 -1.26 -4.88 120.51 118.66 1xyg n ALA 105 Ca 0.01 -0.38 -0.38 0.00 0.00 0.00 0.00 53.44 52.70 1xyg n ALA 105 Cb 0.24 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 1xyg n ALA 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xyg s LEU 106 N -1.90 4.43 -0.12 0.00 1.43 -1.10 -4.94 118.68 116.48 1xyg s LEU 106 Ca 0.39 0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 54.15 1xyg s LEU 106 Cb 0.20 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1xyg s LEU 106 CO 0.32 0.28 0.54 -0.54 0.23 0.00 0.00 176.35 177.18 1xyg s LYS 107 N -0.76 4.35 -0.05 1.70 -0.14 -1.19 -4.85 119.74 118.79 1xyg s LYS 107 Ca 0.22 0.55 0.04 0.00 -1.36 0.00 0.00 55.97 55.43 1xyg s LYS 107 Cb -0.16 -3.45 -0.00 0.00 -1.68 0.00 0.00 37.83 32.54 1xyg s LYS 107 CO 0.11 0.10 -0.18 0.42 -0.76 0.00 0.00 175.35 175.04 1xyg s ILE 108 N 0.78 1.54 -0.27 2.17 1.01 0.21 -1.21 121.20 125.44 1xyg s ILE 108 Ca 0.29 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1xyg s ILE 108 Cb -0.16 -1.33 0.07 0.00 0.01 0.00 0.00 42.46 41.05 1xyg s ILE 108 CO 0.12 0.44 -0.06 -0.69 0.00 0.00 0.00 174.94 174.75 1xyg s VAL 109 N 0.13 1.98 -0.25 2.92 1.01 -0.59 -0.16 120.40 125.45 1xyg s VAL 109 Ca -0.07 -1.66 -0.18 0.00 0.00 0.00 0.00 61.98 60.06 1xyg s VAL 109 Cb -0.13 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1xyg s VAL 109 CO 0.03 -0.18 0.54 -0.62 0.00 0.00 0.00 175.10 174.87 1xyg s ASP 110 N 1.15 6.49 0.00 3.32 2.15 0.16 -1.30 116.67 128.64 1xyg s ASP 110 Ca -0.04 0.59 0.27 0.00 0.43 0.00 0.00 52.55 53.81 1xyg s ASP 110 Cb -0.19 -2.29 0.88 0.00 -0.30 0.00 0.00 42.92 41.01 1xyg s ASP 110 CO -0.07 -0.28 1.67 0.18 -0.17 0.00 0.00 175.17 176.51 1xyg n LEU 111 N 5.40 0.30 -4.75 -1.34 4.32 0.54 -0.23 117.00 121.24 1xyg n LEU 111 Ca -0.04 0.20 -0.30 0.00 -0.02 0.00 0.00 56.01 55.86 1xyg n LEU 111 Cb 0.50 -0.34 0.22 0.00 -1.62 0.00 0.00 43.42 42.17 1xyg n LEU 111 CO 0.41 0.07 0.75 -0.94 -1.22 0.00 0.00 177.39 176.46 1xyg s SER 112 N -2.94 1.82 0.00 -1.43 1.04 -1.25 -4.81 113.70 106.13 1xyg s SER 112 Ca 0.14 0.40 0.23 0.00 0.48 0.00 0.00 55.95 57.20 1xyg s SER 112 Cb 0.18 -0.51 0.03 0.00 0.10 0.00 0.00 66.02 65.82 1xyg s SER 112 CO 0.61 -3.54 1.09 0.00 0.98 0.00 0.00 173.24 172.37 1xyg n ALA 113 N -4.33 4.05 0.32 5.32 0.00 -1.26 -4.57 120.51 120.03 1xyg n ALA 113 Ca 0.15 -0.57 0.16 0.00 0.00 0.00 0.00 53.44 53.18 1xyg n ALA 113 Cb 0.59 -0.85 0.84 0.00 0.00 0.00 0.00 19.45 20.03 1xyg n ALA 113 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xyg h ASP 114 N 0.96 0.00 0.00 0.00 3.32 -1.93 -2.29 116.42 116.47 1xyg h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xyg h ASP 114 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1xyg h ASP 114 CO 0.00 0.00 -0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1xyg n PHE 115 N -2.82 0.00 0.04 4.55 3.72 -1.26 -4.76 117.46 116.93 1xyg n PHE 115 Ca -0.02 -0.51 -0.20 0.00 -0.05 0.00 0.00 57.45 56.67 1xyg n PHE 115 Cb 0.31 -0.05 -0.11 0.00 -0.94 0.00 0.00 39.48 38.69 1xyg n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xyg h ARG 116 N 0.00 0.63 -6.11 -1.08 3.08 -1.71 -3.45 114.38 105.74 1xyg h ARG 116 Ca 0.00 -0.70 -0.56 0.00 0.07 0.00 0.00 59.98 58.79 1xyg h ARG 116 Cb 0.55 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.75 1xyg h ARG 116 CO 0.00 1.29 0.29 -0.51 -1.07 0.00 0.00 179.97 179.97 1xyg s LEU 117 N -8.13 4.28 0.10 3.04 1.43 -1.26 -4.95 118.68 113.19 1xyg s LEU 117 Ca -0.11 1.32 0.08 0.00 -1.03 0.00 0.00 54.13 54.40 1xyg s LEU 117 Cb 0.06 -3.29 -0.20 0.00 0.03 0.00 0.00 46.19 42.79 1xyg s LEU 117 CO 0.90 -0.27 1.18 0.03 0.23 0.00 0.00 176.35 178.42 1xyg h ARG 118 N 6.98 0.00 -6.59 1.70 3.08 -1.94 -3.43 114.38 114.18 1xyg h ARG 118 Ca -0.36 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.12 1xyg h ARG 118 Cb 1.18 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.16 1xyg h ARG 118 CO 0.79 0.89 0.90 1.21 -1.07 0.00 0.00 179.97 182.68 1xyg s ASN 119 N -6.59 6.72 0.12 7.04 3.84 -1.26 -4.93 114.94 119.88 1xyg s ASN 119 Ca 0.00 0.63 -0.21 0.00 0.21 0.00 0.00 52.86 53.49 1xyg s ASN 119 Cb 0.10 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 38.20 1xyg s ASN 119 CO 0.82 -1.14 1.70 0.40 -2.79 0.00 0.00 177.10 176.08 1xyg h ILE 120 N 6.09 0.78 -0.74 -5.21 1.08 -2.00 -1.68 117.51 115.84 1xyg h ILE 120 Ca -0.22 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.31 1xyg h ILE 120 Cb 1.06 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 35.54 1xyg h ILE 120 CO 1.10 0.00 0.48 0.00 -0.69 0.00 0.00 178.15 179.04 1xyg h ALA 121 N 1.07 1.67 -0.52 1.87 0.00 -1.99 -1.40 119.26 119.97 1xyg h ALA 121 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1xyg h ALA 121 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xyg h ALA 121 CO -0.18 0.22 0.11 1.49 0.00 0.00 0.00 179.25 180.89 1xyg h GLU 122 N 0.79 0.84 -0.74 0.00 4.81 -1.81 -1.46 114.58 117.01 1xyg h GLU 122 Ca 0.32 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1xyg h GLU 122 Cb 0.23 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1xyg h GLU 122 CO -0.10 0.81 0.34 -0.92 -0.73 0.00 0.00 179.01 178.41 1xyg h TYR 123 N 0.73 1.08 -0.37 0.92 3.20 -0.40 -2.38 116.97 119.75 1xyg h TYR 123 Ca 0.16 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1xyg h TYR 123 Cb 0.36 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1xyg h TYR 123 CO 0.02 0.81 0.02 1.49 -1.64 0.00 0.00 178.16 178.86 1xyg h GLU 124 N 1.04 0.65 -0.35 1.82 4.81 -1.07 0.11 114.58 121.60 1xyg h GLU 124 Ca 0.25 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1xyg h GLU 124 Cb 0.15 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1xyg h GLU 124 CO -0.03 0.74 -0.20 1.05 -0.73 0.00 0.00 179.01 179.84 1xyg h GLU 125 N 0.47 0.68 0.00 1.92 4.11 -1.18 -0.93 114.58 119.65 1xyg h GLU 125 Ca 0.11 -0.26 -0.11 0.00 0.07 0.00 0.00 59.36 59.18 1xyg h GLU 125 Cb 0.44 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1xyg h GLU 125 CO 0.02 0.83 -0.99 -1.49 0.07 0.00 0.00 179.01 177.45 1xyg h TRP 126 N 0.60 0.00 -0.02 2.06 4.06 -1.37 -3.37 115.95 117.90 1xyg h TRP 126 Ca 0.09 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1xyg h TRP 126 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 1xyg h TRP 126 CO 0.03 0.40 0.00 0.66 -3.56 0.00 0.00 178.44 175.97 1xyg n TYR 127 N -2.95 0.01 -1.79 0.49 4.01 0.39 -4.90 117.16 112.42 1xyg n TYR 127 Ca -0.04 -0.01 -0.14 0.00 -0.16 0.00 0.00 57.90 57.56 1xyg n TYR 127 Cb 0.73 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.73 1xyg n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xyg n GLY 128 N 0.69 0.69 3.54 2.72 0.00 -0.36 -5.00 105.19 107.48 1xyg n GLY 128 Ca 0.07 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1xyg n GLY 128 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xyg s GLN 129 N -3.85 0.83 0.55 1.61 -2.07 -1.22 -5.07 119.66 110.43 1xyg s GLN 129 Ca 0.00 0.09 -0.22 0.00 -1.82 0.00 0.00 55.36 53.41 1xyg s GLN 129 Cb 0.00 0.39 -0.05 0.00 -1.09 0.00 0.00 33.01 32.26 1xyg s GLN 129 CO 0.00 -0.28 1.35 -2.14 -1.32 0.00 0.00 175.29 172.89 1xyg s PRO 130 N -1.57 3.15 -0.10 9.60 0.02 -1.26 -4.16 135.00 140.69 1xyg s PRO 130 Ca -0.04 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 62.89 1xyg s PRO 130 Cb -0.00 -2.25 -0.03 0.00 0.02 0.00 0.00 34.50 32.24 1xyg s PRO 130 CO 0.02 -1.17 1.27 -1.58 -0.33 0.00 0.00 177.00 175.21 1xyg s HIS 131 N -1.32 2.95 -0.85 6.54 2.46 -1.26 -4.91 115.29 118.90 1xyg s HIS 131 Ca 0.72 1.03 0.15 0.00 0.47 0.00 0.00 55.06 57.42 1xyg s HIS 131 Cb -0.40 -3.51 0.68 0.00 -0.13 0.00 0.00 32.58 29.22 1xyg s HIS 131 CO 0.47 -1.73 1.56 1.63 -2.47 0.00 0.00 174.74 174.20 1xyg n LYS 132 N 5.91 3.86 -2.71 2.88 5.02 -1.26 -4.28 118.16 127.57 1xyg n LYS 132 Ca 0.13 -2.65 -0.05 0.00 -2.02 0.00 0.00 58.31 53.72 1xyg n LYS 132 Cb 0.45 -1.97 0.09 0.00 -0.02 0.00 0.00 35.03 33.58 1xyg n LYS 132 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xyg n ALA 133 N 0.82 2.44 -0.27 7.82 0.00 -1.26 -4.70 120.51 125.35 1xyg n ALA 133 Ca 0.24 -1.92 0.06 0.00 0.00 0.00 0.00 53.44 51.82 1xyg n ALA 133 Cb 0.92 -0.92 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1xyg n ALA 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xyg h VAL 134 N 3.46 0.28 0.16 0.00 2.07 -2.00 -1.63 116.25 118.60 1xyg h VAL 134 Ca -0.26 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1xyg h VAL 134 Cb 1.27 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1xyg h VAL 134 CO 0.08 0.02 -0.08 -0.33 0.02 0.00 0.00 177.57 177.28 1xyg h GLU 135 N 0.09 -0.21 -0.80 1.57 4.39 -1.96 -3.04 114.58 114.61 1xyg h GLU 135 Ca 0.44 0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.31 1xyg h GLU 135 Cb 0.80 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.44 1xyg h GLU 135 CO -0.72 0.07 0.53 1.25 -1.16 0.00 0.00 179.01 178.99 1xyg h LEU 136 N -0.50 0.47 -1.49 1.33 5.85 -1.87 -2.09 115.31 117.01 1xyg h LEU 136 Ca -0.02 0.03 0.20 0.00 0.84 0.00 0.00 57.88 58.93 1xyg h LEU 136 Cb 0.38 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 1xyg h LEU 136 CO 0.04 0.24 0.60 -0.61 -0.34 0.00 0.00 178.44 178.36 1xyg h GLN 137 N 0.50 0.41 0.00 1.25 5.75 -1.18 -1.56 115.11 120.28 1xyg h GLN 137 Ca 0.40 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.87 1xyg h GLN 137 Cb 0.82 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1xyg h GLN 137 CO -0.15 0.27 0.00 0.36 -2.65 0.00 0.00 178.83 176.66 1xyg n LYS 138 N -4.52 0.14 -0.07 1.69 2.85 -0.79 -2.45 118.16 115.02 1xyg n LYS 138 Ca 0.19 0.13 0.08 0.00 -1.05 0.00 0.00 58.31 57.66 1xyg n LYS 138 Cb 0.69 -1.50 0.11 0.00 -0.65 0.00 0.00 35.03 33.68 1xyg n LYS 138 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1xyg n GLU 139 N -1.39 1.69 -2.71 -1.58 0.28 -0.59 -4.98 120.64 111.36 1xyg n GLU 139 Ca 0.07 -1.70 -0.40 0.00 -0.16 0.00 0.00 57.16 54.97 1xyg n GLU 139 Cb 0.20 -1.34 -0.05 0.00 1.43 0.00 0.00 31.44 31.68 1xyg n GLU 139 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1xyg s VAL 140 N -1.28 4.09 -0.12 3.84 1.01 -1.03 -4.66 120.40 122.26 1xyg s VAL 140 Ca 0.23 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.22 1xyg s VAL 140 Cb 0.15 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1xyg s VAL 140 CO 0.21 0.43 -0.13 -0.69 0.00 0.00 0.00 175.10 174.93 1xyg s VAL 141 N -0.87 3.04 -0.01 2.92 1.01 -1.04 -4.96 120.40 120.49 1xyg s VAL 141 Ca 0.43 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1xyg s VAL 141 Cb -0.26 -2.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 1xyg s VAL 141 CO 0.33 0.53 1.56 -0.47 0.00 0.00 0.00 175.10 177.05 1xyg s TYR 142 N 0.22 2.40 0.00 5.22 5.04 -1.26 -1.47 117.35 127.49 1xyg s TYR 142 Ca -0.08 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.00 1xyg s TYR 142 Cb -0.15 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1xyg s TYR 142 CO 0.05 -3.34 1.37 0.41 -1.34 0.00 0.00 175.55 172.70 1xyg n GLY 143 N 3.93 2.03 3.53 8.97 0.00 0.66 -4.74 105.19 119.57 1xyg n GLY 143 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1xyg n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xyg s LEU 144 N 0.00 4.24 0.11 0.99 2.96 -1.26 -4.51 118.68 121.21 1xyg s LEU 144 Ca 0.00 -2.30 -0.22 0.00 -0.22 0.00 0.00 54.13 51.40 1xyg s LEU 144 Cb 0.00 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 1xyg s LEU 144 CO 0.00 -1.13 1.12 0.41 -1.32 0.00 0.00 176.35 175.44 1xyg n THR 145 N 5.93 -0.47 0.32 3.68 -1.04 -1.26 -1.05 114.28 120.39 1xyg n THR 145 Ca 0.39 1.76 0.20 0.00 -2.04 0.00 0.00 64.05 64.36 1xyg n THR 145 Cb 0.47 -2.19 1.10 0.00 -1.82 0.00 0.00 70.33 67.89 1xyg n THR 145 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1xyg h GLU 146 N 0.00 0.00 0.02 -2.82 3.07 -1.99 -0.32 114.58 112.53 1xyg h GLU 146 Ca 0.11 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.58 1xyg h GLU 146 Cb 0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.14 1xyg h GLU 146 CO -0.65 0.01 -2.22 -0.89 -1.40 0.00 0.00 179.01 173.86 1xyg n ILE 147 N -3.27 1.56 -1.22 3.13 2.08 -0.21 -4.60 119.36 116.82 1xyg n ILE 147 Ca -0.03 -0.43 -0.01 0.00 0.56 0.00 0.00 62.75 62.85 1xyg n ILE 147 Cb 0.10 -1.74 0.23 0.00 -0.75 0.00 0.00 39.64 37.48 1xyg n ILE 147 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1xyg n LEU 148 N -3.84 4.40 -0.36 1.39 4.77 -0.49 -4.81 117.00 118.06 1xyg n LEU 148 Ca -0.44 -3.42 -0.06 0.00 -0.03 0.00 0.00 56.01 52.06 1xyg n LEU 148 Cb 0.91 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1xyg n LEU 148 CO 0.20 0.98 0.55 -0.09 -1.33 0.00 0.00 177.39 177.69 1xyg h ARG 149 N 1.44 -0.05 -0.88 3.23 2.43 -1.25 -0.19 114.38 119.12 1xyg h ARG 149 Ca 0.17 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.44 1xyg h ARG 149 Cb 1.73 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 31.23 1xyg h ARG 149 CO 0.41 -0.03 0.57 0.93 -1.51 0.00 0.00 179.97 180.34 1xyg h GLU 150 N -0.05 0.87 0.02 0.20 4.39 -1.87 -1.25 114.58 116.90 1xyg h GLU 150 Ca 0.25 -0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.67 1xyg h GLU 150 Cb 0.53 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1xyg h GLU 150 CO -0.91 0.58 -0.99 -0.44 -1.16 0.00 0.00 179.01 176.08 1xyg h ASP 151 N 0.90 0.57 -0.66 1.42 3.32 -1.61 -3.29 116.42 117.08 1xyg h ASP 151 Ca 0.40 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1xyg h ASP 151 Cb 0.37 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1xyg h ASP 151 CO -0.17 1.28 0.42 0.40 -1.72 0.00 0.00 179.24 179.46 1xyg h ILE 152 N 0.23 1.18 -0.90 0.35 2.04 -0.27 -2.86 117.51 117.29 1xyg h ILE 152 Ca -0.09 -0.35 0.17 0.00 1.00 0.00 0.00 64.86 65.58 1xyg h ILE 152 Cb 1.64 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 1xyg h ILE 152 CO 0.17 0.18 0.58 0.11 0.00 0.00 0.00 178.15 179.19 1xyg h LYS 153 N 0.89 0.57 -0.48 2.37 1.57 -1.32 -1.97 116.57 118.20 1xyg h LYS 153 Ca 0.24 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1xyg h LYS 153 Cb -0.08 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1xyg h LYS 153 CO -0.05 0.38 0.00 0.36 -0.57 0.00 0.00 179.45 179.57 1xyg n LYS 154 N -4.56 3.78 -3.63 3.15 2.85 -1.09 -4.48 118.16 114.17 1xyg n LYS 154 Ca 0.19 -2.89 -0.29 0.00 -1.05 0.00 0.00 58.31 54.27 1xyg n LYS 154 Cb 0.56 -1.94 -0.04 0.00 -0.65 0.00 0.00 35.03 32.97 1xyg n LYS 154 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xyg s ALA 155 N -2.34 3.78 -0.23 0.58 0.00 -0.74 -5.01 121.76 117.81 1xyg s ALA 155 Ca 0.47 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1xyg s ALA 155 Cb 0.34 -2.10 -0.19 0.00 0.00 0.00 0.00 23.12 21.16 1xyg s ALA 155 CO 0.16 0.52 -0.08 -2.13 0.00 0.00 0.00 175.76 174.24 1xyg n ARG 156 N -0.35 0.67 -4.10 0.00 0.63 -1.26 -4.88 116.66 107.38 1xyg n ARG 156 Ca -0.03 0.16 -0.33 0.00 -0.92 0.00 0.00 57.85 56.73 1xyg n ARG 156 Cb 0.53 -1.56 -0.16 0.00 0.45 0.00 0.00 32.46 31.72 1xyg n ARG 156 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1xyg s LEU 157 N -6.54 2.41 -0.09 6.15 2.96 -1.26 0.68 118.68 122.99 1xyg s LEU 157 Ca -0.30 -0.76 0.03 0.00 -0.22 0.00 0.00 54.13 52.88 1xyg s LEU 157 Cb 0.08 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 1xyg s LEU 157 CO 0.65 -0.03 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.78 1xyg s VAL 158 N 1.27 2.71 -0.47 1.68 1.01 0.78 -2.51 120.40 124.88 1xyg s VAL 158 Ca 0.03 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 1xyg s VAL 158 Cb -0.14 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.20 1xyg s VAL 158 CO -0.11 0.56 0.57 0.00 0.00 0.00 0.00 175.10 176.12 1xyg s ALA 159 N -0.05 3.39 0.02 5.51 0.00 -0.54 -0.67 121.76 129.42 1xyg s ALA 159 Ca -0.04 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 1xyg s ALA 159 Cb -0.14 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1xyg s ALA 159 CO 0.04 -1.84 1.40 1.21 0.00 0.00 0.00 175.76 176.57 1xyg s ASN 160 N 2.29 6.85 1.05 0.00 2.47 0.69 -0.25 114.94 128.04 1xyg s ASN 160 Ca 0.16 2.16 -0.12 0.00 0.42 0.00 0.00 52.86 55.47 1xyg s ASN 160 Cb -0.18 -2.57 0.20 0.00 -1.45 0.00 0.00 41.25 37.26 1xyg s ASN 160 CO 0.14 -0.70 0.94 -0.81 -3.72 0.00 0.00 177.10 172.95 1xyg n PRO 161 N 5.08 -1.45 -1.91 0.43 -0.04 -1.26 -4.70 135.00 131.15 1xyg n PRO 161 Ca 0.13 -0.38 -0.29 0.00 -0.04 0.00 0.00 63.50 62.92 1xyg n PRO 161 Cb 0.43 -2.19 0.09 0.00 -0.04 0.00 0.00 33.50 31.79 1xyg n PRO 161 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1xyg s GLY 162 N -2.42 1.60 0.01 0.55 0.00 -1.26 -4.77 107.32 101.03 1xyg s GLY 162 Ca 0.66 -0.64 -0.21 0.00 0.00 0.00 0.00 44.72 44.53 1xyg s GLY 162 CO 0.63 -0.16 1.05 0.00 0.00 0.00 0.00 173.10 174.61 1xyg h TYR 164 N -0.97 -0.24 -0.83 0.00 0.05 -1.95 -1.57 116.97 111.46 1xyg h TYR 164 Ca -0.08 0.04 0.16 0.00 0.05 0.00 0.00 58.73 58.89 1xyg h TYR 164 Cb 0.58 0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.43 1xyg h TYR 164 CO 0.04 -0.18 0.55 -1.35 -1.05 0.00 0.00 178.16 176.16 1xyg h PRO 165 N -0.01 0.51 -0.34 4.88 0.11 -1.91 -1.61 132.00 133.62 1xyg h PRO 165 Ca 0.19 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 1xyg h PRO 165 Cb 0.31 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1xyg h PRO 165 CO -0.42 0.34 0.10 1.15 -0.21 0.00 0.00 178.00 178.96 1xyg h THR 166 N 0.52 1.21 0.00 -1.15 2.02 -1.06 -0.61 112.91 113.84 1xyg h THR 166 Ca 0.42 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1xyg h THR 166 Cb 0.85 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1xyg h THR 166 CO -0.16 0.24 -0.10 0.71 0.37 0.00 0.00 175.52 176.57 1xyg h THR 167 N 0.40 0.36 0.05 3.16 1.35 -1.10 -2.98 112.91 114.15 1xyg h THR 167 Ca 0.11 -0.60 -0.29 0.00 -0.55 0.00 0.00 66.41 65.08 1xyg h THR 167 Cb 0.26 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 1xyg h THR 167 CO -0.00 0.10 -1.60 -0.38 -0.25 0.00 0.00 175.52 173.39 1xyg n ILE 168 N -3.38 1.63 -0.02 6.82 5.41 -0.91 -4.40 119.36 124.51 1xyg n ILE 168 Ca -0.01 -0.28 -0.08 0.00 1.00 0.00 0.00 62.75 63.38 1xyg n ILE 168 Cb 0.28 -1.91 0.09 0.00 -0.71 0.00 0.00 39.64 37.38 1xyg n ILE 168 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1xyg h GLN 169 N -0.58 0.60 -0.51 0.38 4.20 -1.17 -2.54 115.11 115.49 1xyg h GLN 169 Ca -0.39 -0.31 0.08 0.00 0.06 0.00 0.00 58.65 58.09 1xyg h GLN 169 Cb 1.60 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.32 1xyg h GLN 169 CO -0.10 0.90 0.12 -0.07 -0.67 0.00 0.00 178.83 179.01 1xyg h LEU 170 N 0.49 0.04 0.07 1.46 3.38 -1.74 -0.30 115.31 118.71 1xyg h LEU 170 Ca 0.04 0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 1xyg h LEU 170 Cb 0.92 0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.80 1xyg h LEU 170 CO 0.08 0.05 -0.85 1.55 0.09 0.00 0.00 178.44 179.36 1xyg h PRO 171 N 0.26 0.45 -0.08 1.13 0.13 -1.76 -3.39 132.00 128.75 1xyg h PRO 171 Ca 0.25 -0.58 -0.19 0.00 -0.87 0.00 0.00 66.00 64.61 1xyg h PRO 171 Cb 0.33 0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1xyg h PRO 171 CO -0.32 1.23 -0.76 -0.07 -0.23 0.00 0.00 178.00 177.85 1xyg h LEU 172 N -0.06 0.52 0.05 1.56 3.38 -1.30 -3.30 115.31 116.16 1xyg h LEU 172 Ca -0.13 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1xyg h LEU 172 Cb 1.58 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 1xyg h LEU 172 CO 0.16 1.10 -0.21 0.58 0.09 0.00 0.00 178.44 180.16 1xyg h VAL 173 N 0.29 0.51 -0.96 1.22 2.07 -1.24 0.45 116.25 118.59 1xyg h VAL 173 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1xyg h VAL 173 Cb 1.34 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1xyg h VAL 173 CO 0.13 0.00 0.63 -0.65 0.02 0.00 0.00 177.57 177.71 1xyg h PRO 174 N -0.37 1.19 -0.45 1.57 0.11 -1.77 -0.09 132.00 132.20 1xyg h PRO 174 Ca 0.04 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 1xyg h PRO 174 Cb 0.42 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1xyg h PRO 174 CO -0.16 0.79 -0.21 -0.07 -0.21 0.00 0.00 178.00 178.14 1xyg h LEU 175 N 1.23 0.93 -0.27 2.35 3.38 -1.53 -2.17 115.31 119.24 1xyg h LEU 175 Ca 0.38 -0.34 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1xyg h LEU 175 Cb -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1xyg h LEU 175 CO -0.11 1.10 -0.52 -0.07 0.09 0.00 0.00 178.44 178.93 1xyg h LEU 176 N 0.79 0.92 -1.28 1.67 3.38 -0.55 -0.09 115.31 120.15 1xyg h LEU 176 Ca 0.11 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.59 1xyg h LEU 176 Cb 0.76 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1xyg h LEU 176 CO 0.06 1.29 0.51 0.11 0.09 0.00 0.00 178.44 180.50 1xyg h LYS 177 N 0.59 0.89 -0.31 1.13 1.57 -0.93 -0.65 116.57 118.86 1xyg h LYS 177 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xyg h LYS 177 Cb 1.13 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1xyg h LYS 177 CO 0.12 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 179.58 1xyg n ALA 178 N -2.42 2.47 -3.63 3.86 0.00 -0.82 -4.93 120.51 115.03 1xyg n ALA 178 Ca 0.11 -0.64 -0.27 0.00 0.00 0.00 0.00 53.44 52.63 1xyg n ALA 178 Cb 0.16 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.62 1xyg n ALA 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xyg n ASN 179 N 0.57 -4.87 0.03 0.00 3.02 -0.25 -4.86 115.26 108.90 1xyg n ASN 179 Ca 0.15 -0.60 0.11 0.00 -0.03 0.00 0.00 54.58 54.21 1xyg n ASN 179 Cb 0.34 -3.92 0.08 0.00 -0.61 0.00 0.00 39.78 35.68 1xyg n ASN 179 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xyg n LEU 180 N -4.38 0.63 -4.08 3.41 4.77 -0.08 -4.73 117.00 112.54 1xyg n LEU 180 Ca 0.01 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1xyg n LEU 180 Cb 0.54 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1xyg n LEU 180 CO 0.65 0.04 -0.40 0.27 -1.33 0.00 0.00 177.39 176.61 1xyg s ILE 181 N -3.16 0.59 0.56 -0.08 -4.36 -1.24 -1.25 121.20 112.26 1xyg s ILE 181 Ca 0.05 -1.20 -0.16 0.00 -0.26 0.00 0.00 60.65 59.08 1xyg s ILE 181 Cb 0.15 -0.77 -0.06 0.00 1.25 0.00 0.00 42.46 43.03 1xyg s ILE 181 CO 0.77 -0.44 1.02 -0.54 0.24 0.00 0.00 174.94 175.99 1xyg s LYS 182 N -1.88 3.63 0.00 0.37 1.02 0.21 -4.66 119.74 118.43 1xyg s LYS 182 Ca -0.07 1.04 0.19 0.00 0.02 0.00 0.00 55.97 57.15 1xyg s LYS 182 Cb -0.08 -2.08 0.54 0.00 -0.52 0.00 0.00 37.83 35.68 1xyg s LYS 182 CO -0.00 -0.54 1.45 -2.39 -0.92 0.00 0.00 175.35 172.95 1xyg n HIS 183 N -1.91 0.78 -3.98 3.18 1.44 -1.26 -4.67 115.22 108.80 1xyg n HIS 183 Ca 0.07 -0.39 -0.30 0.00 -2.01 0.00 0.00 57.72 55.10 1xyg n HIS 183 Cb 0.54 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.60 1xyg n HIS 183 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1xyg s GLU 184 N -1.22 3.21 -1.44 -1.40 1.03 -1.26 -4.51 118.70 113.12 1xyg s GLU 184 Ca 0.41 -0.58 -0.11 0.00 0.03 0.00 0.00 54.97 54.72 1xyg s GLU 184 Cb 0.21 -2.89 0.04 0.00 -0.80 0.00 0.00 34.13 30.69 1xyg s GLU 184 CO 0.28 0.57 1.09 0.09 -1.33 0.00 0.00 175.26 175.96 1xyg n ASN 185 N 0.18 -5.76 -4.59 0.83 4.13 -1.26 -4.65 115.26 104.14 1xyg n ASN 185 Ca -0.07 -0.63 -0.43 0.00 1.68 0.00 0.00 54.58 55.14 1xyg n ASN 185 Cb 0.52 -4.55 -0.04 0.00 -1.54 0.00 0.00 39.78 34.17 1xyg n ASN 185 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xyg s ILE 186 N -3.30 4.53 -0.17 2.41 1.01 -1.26 -4.63 121.20 119.78 1xyg s ILE 186 Ca 0.62 1.04 -0.04 0.00 0.00 0.00 0.00 60.65 62.27 1xyg s ILE 186 Cb -0.29 -4.38 -0.02 0.00 0.01 0.00 0.00 42.46 37.78 1xyg s ILE 186 CO 0.76 -0.66 -0.04 -0.63 0.00 0.00 0.00 174.94 174.37 1xyg s ILE 187 N 3.61 3.71 -0.22 2.92 1.01 -0.55 -2.01 121.20 129.68 1xyg s ILE 187 Ca 0.38 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 1xyg s ILE 187 Cb -0.11 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.74 1xyg s ILE 187 CO 0.22 0.47 -0.13 -0.63 0.00 0.00 0.00 174.94 174.87 1xyg s ILE 188 N 0.71 2.47 -0.43 2.92 1.01 0.11 -0.31 121.20 127.68 1xyg s ILE 188 Ca -0.02 -1.03 -0.07 0.00 0.00 0.00 0.00 60.65 59.53 1xyg s ILE 188 Cb -0.15 -2.19 0.10 0.00 0.01 0.00 0.00 42.46 40.24 1xyg s ILE 188 CO 0.02 0.33 0.26 -0.62 0.00 0.00 0.00 174.94 174.93 1xyg s ASP 189 N 1.29 5.49 0.15 3.58 -1.08 -0.61 -0.84 116.67 124.66 1xyg s ASP 189 Ca 0.01 -1.83 0.04 0.00 -0.52 0.00 0.00 52.55 50.25 1xyg s ASP 189 Cb -0.15 -1.93 -0.04 0.00 -1.46 0.00 0.00 42.92 39.34 1xyg s ASP 189 CO -0.08 -0.59 0.17 0.00 0.52 0.00 0.00 175.17 175.19 1xyg s ALA 190 N 1.29 3.66 0.02 3.66 0.00 -0.55 -1.57 121.76 128.27 1xyg s ALA 190 Ca 0.05 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1xyg s ALA 190 Cb -0.24 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 1xyg s ALA 190 CO -0.01 0.53 -0.10 0.15 0.00 0.00 0.00 175.76 176.33 1xyg s LYS 191 N -3.08 0.72 -0.03 0.00 3.01 0.75 -0.53 119.74 120.58 1xyg s LYS 191 Ca 0.32 -0.52 -0.10 0.00 -1.01 0.00 0.00 55.97 54.65 1xyg s LYS 191 Cb -0.10 -0.67 0.01 0.00 -1.01 0.00 0.00 37.83 36.06 1xyg s LYS 191 CO 0.24 0.17 0.22 0.45 0.51 0.00 0.00 175.35 176.94 1xyg s SER 192 N -0.74 -0.11 0.69 2.83 0.15 -0.34 -1.30 113.70 114.87 1xyg s SER 192 Ca 0.00 0.07 -0.14 0.00 0.70 0.00 0.00 55.95 56.58 1xyg s SER 192 Cb -0.06 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1xyg s SER 192 CO 0.00 -0.32 1.11 -0.83 1.20 0.00 0.00 173.24 174.41 1xyg s GLY 193 N -0.96 2.06 0.05 9.45 0.00 0.30 -0.25 107.32 117.97 1xyg s GLY 193 Ca -0.10 0.50 0.14 0.00 0.00 0.00 0.00 44.72 45.26 1xyg s GLY 193 CO 0.02 0.86 1.45 1.55 0.00 0.00 0.00 173.10 176.98 1xyg n VAL 194 N -2.68 1.11 0.30 1.40 3.14 0.39 -2.75 118.33 119.24 1xyg n VAL 194 Ca 0.10 0.30 0.16 0.00 -2.96 0.00 0.00 64.34 61.94 1xyg n VAL 194 Cb 0.52 -1.12 0.92 0.00 -1.06 0.00 0.00 33.84 33.10 1xyg n VAL 194 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1xyg h SER 195 N 0.00 0.00 0.63 6.55 4.64 -1.55 -0.04 113.55 123.78 1xyg h SER 195 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xyg h SER 195 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1xyg h SER 195 CO 0.00 0.03 0.00 1.23 -0.87 0.00 0.00 176.83 177.22 1xyg h GLY 196 N 0.28 0.00 1.65 -0.77 0.00 -1.75 -2.00 103.07 100.48 1xyg h GLY 196 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xyg h GLY 196 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.51 1xyg n ALA 197 N -1.90 2.50 0.00 3.60 0.00 -0.03 -5.03 120.51 119.66 1xyg n ALA 197 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1xyg n ALA 197 Cb 0.21 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1xyg n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyg n GLY 198 N 1.38 -0.68 0.98 0.00 0.00 -0.76 -4.56 105.19 101.56 1xyg n GLY 198 Ca 0.11 -1.73 0.09 0.00 0.00 0.00 0.00 46.02 44.48 1xyg n GLY 198 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xyg n ARG 199 N -0.69 2.23 -1.74 1.61 0.63 -1.26 -4.92 116.66 112.53 1xyg n ARG 199 Ca 0.00 -1.92 -0.42 0.00 -0.92 0.00 0.00 57.85 54.60 1xyg n ARG 199 Cb 0.00 -1.42 -0.02 0.00 0.45 0.00 0.00 32.46 31.47 1xyg n ARG 199 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xyg n GLY 200 N 1.35 1.41 3.41 5.14 0.00 -1.26 -4.86 105.19 110.38 1xyg n GLY 200 Ca 0.18 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.34 1xyg n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyg n ALA 201 N 2.69 2.95 -2.48 4.61 0.00 -1.26 -4.93 120.51 122.09 1xyg n ALA 201 Ca 0.11 -3.40 -0.33 0.00 0.00 0.00 0.00 53.44 49.82 1xyg n ALA 201 Cb 0.36 -3.55 -0.13 0.00 0.00 0.00 0.00 19.45 16.13 1xyg n ALA 201 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xyg s LYS 202 N 5.24 2.50 0.22 0.00 1.02 -1.26 -5.03 119.74 122.42 1xyg s LYS 202 Ca 0.60 -0.70 -0.09 0.00 0.02 0.00 0.00 55.97 55.80 1xyg s LYS 202 Cb 0.05 -2.38 0.33 0.00 -0.52 0.00 0.00 37.83 35.31 1xyg s LYS 202 CO 0.09 0.62 1.67 1.49 -0.92 0.00 0.00 175.35 178.31 1xyg h GLU 203 N 5.30 0.15 -0.14 1.68 4.81 -2.00 -1.41 114.58 122.97 1xyg h GLU 203 Ca -0.47 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.80 1xyg h GLU 203 Cb 1.15 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1xyg h GLU 203 CO 0.50 0.10 0.17 0.00 -0.73 0.00 0.00 179.01 179.06 1xyg h ALA 204 N 1.57 1.71 -0.69 2.92 0.00 -1.98 -2.39 119.26 120.40 1xyg h ALA 204 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xyg h ALA 204 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xyg h ALA 204 CO -0.52 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 178.57 1xyg n ASN 205 N -3.73 4.03 -4.75 0.00 3.02 -0.53 -4.40 115.26 108.90 1xyg n ASN 205 Ca 0.01 -2.09 -0.35 0.00 -0.03 0.00 0.00 54.58 52.12 1xyg n ASN 205 Cb 0.29 -0.49 0.05 0.00 -0.61 0.00 0.00 39.78 39.02 1xyg n ASN 205 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xyg s LEU 206 N -1.16 3.52 0.18 3.41 1.43 -0.90 -4.80 118.68 120.35 1xyg s LEU 206 Ca 0.47 2.24 -0.13 0.00 -1.03 0.00 0.00 54.13 55.68 1xyg s LEU 206 Cb 0.26 -4.58 0.17 0.00 0.03 0.00 0.00 46.19 42.07 1xyg s LEU 206 CO 0.30 -1.70 1.72 0.22 0.23 0.00 0.00 176.35 177.12 1xyg h TYR 207 N 0.42 0.18 0.00 0.29 5.03 -1.93 -0.97 116.97 119.98 1xyg h TYR 207 Ca -0.49 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 60.85 1xyg h TYR 207 Cb 1.28 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 39.55 1xyg h TYR 207 CO 0.50 0.01 -0.02 0.77 -1.32 0.00 0.00 178.16 178.10 1xyg h SER 208 N 0.25 0.00 0.32 -2.11 0.02 -1.94 -0.33 113.55 109.75 1xyg h SER 208 Ca 0.24 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.87 1xyg h SER 208 Cb 0.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1xyg h SER 208 CO -0.30 0.02 -1.92 -0.62 -1.14 0.00 0.00 176.83 172.87 1xyg n GLU 209 N -3.52 0.66 -0.04 3.45 -0.58 -0.59 -4.59 120.64 115.43 1xyg n GLU 209 Ca -0.03 0.22 -0.21 0.00 -0.42 0.00 0.00 57.16 56.72 1xyg n GLU 209 Cb 0.11 -1.71 -0.13 0.00 -0.57 0.00 0.00 31.44 29.14 1xyg n GLU 209 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1xyg h ILE 210 N 0.01 0.90 -3.27 -3.67 1.08 -0.94 -3.48 117.51 108.14 1xyg h ILE 210 Ca -0.37 -2.29 -0.57 0.00 -0.39 0.00 0.00 64.86 61.23 1xyg h ILE 210 Cb 2.06 2.48 0.13 0.00 -3.07 0.00 0.00 36.82 38.42 1xyg h ILE 210 CO 0.06 0.59 0.26 0.00 -0.69 0.00 0.00 178.15 178.38 1xyg n ALA 211 N -3.15 0.53 -3.50 1.87 0.00 -0.16 -3.59 120.51 112.51 1xyg n ALA 211 Ca -0.29 0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 1xyg n ALA 211 Cb 0.84 -2.14 0.08 0.00 0.00 0.00 0.00 19.45 18.22 1xyg n ALA 211 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xyg n GLU 212 N -0.02 -7.30 -3.61 0.00 -0.58 -1.26 -4.98 120.64 102.89 1xyg n GLU 212 Ca 0.09 0.77 -0.00 0.00 -0.42 0.00 0.00 57.16 57.60 1xyg n GLU 212 Cb 0.40 -5.65 -0.01 0.00 -0.57 0.00 0.00 31.44 25.61 1xyg n GLU 212 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xyg s GLY 213 N -3.42 -0.33 0.23 0.62 0.00 -1.24 -5.13 107.32 98.05 1xyg s GLY 213 Ca 0.48 1.46 0.01 0.00 0.00 0.00 0.00 44.72 46.67 1xyg s GLY 213 CO 0.68 0.43 0.09 -0.26 0.00 0.00 0.00 173.10 174.04 1xyg s ILE 214 N -2.11 0.42 -0.09 0.90 -4.36 -1.26 -3.97 121.20 110.73 1xyg s ILE 214 Ca 0.13 -1.99 -0.30 0.00 -0.26 0.00 0.00 60.65 58.23 1xyg s ILE 214 Cb 0.02 -2.51 0.11 0.00 1.25 0.00 0.00 42.46 41.34 1xyg s ILE 214 CO -0.04 -0.09 0.93 -0.94 0.24 0.00 0.00 174.94 175.04 1xyg s SER 215 N -3.25 -0.39 0.73 4.36 1.04 -1.22 -5.01 113.70 109.96 1xyg s SER 215 Ca 0.36 0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.98 1xyg s SER 215 Cb 0.07 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.61 1xyg s SER 215 CO 0.11 -0.47 1.06 -0.44 0.98 0.00 0.00 173.24 174.48 1xyg s SER 216 N -1.65 4.79 0.08 7.02 0.01 -1.26 -0.32 113.70 122.36 1xyg s SER 216 Ca 0.00 0.57 -0.26 0.00 1.31 0.00 0.00 55.95 57.58 1xyg s SER 216 Cb -0.01 -1.20 0.09 0.00 0.21 0.00 0.00 66.02 65.11 1xyg s SER 216 CO -0.02 -1.65 0.74 -0.72 0.41 0.00 0.00 173.24 172.01 1xyg s TYR 217 N -3.33 -0.45 -1.43 2.43 1.13 -0.89 -4.78 117.35 110.03 1xyg s TYR 217 Ca 0.60 0.29 -0.10 0.00 -1.41 0.00 0.00 57.07 56.46 1xyg s TYR 217 Cb -0.11 0.55 0.03 0.00 -1.10 0.00 0.00 41.96 41.33 1xyg s TYR 217 CO 0.46 -0.70 1.05 0.41 -2.51 0.00 0.00 175.55 174.26 1xyg n GLY 218 N -0.28 -0.53 3.77 5.49 0.00 -1.26 -3.54 105.19 108.83 1xyg n GLY 218 Ca -0.13 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1xyg n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyg s VAL 219 N -3.29 3.03 0.00 1.61 1.01 -1.26 -3.86 120.40 117.64 1xyg s VAL 219 Ca 0.57 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1xyg s VAL 219 Cb -0.26 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1xyg s VAL 219 CO 0.70 0.18 0.00 0.41 0.00 0.00 0.00 175.10 176.39 1xyg n THR 220 N 0.58 0.00 -3.93 3.92 -1.04 -1.26 -4.72 114.28 107.82 1xyg n THR 220 Ca 0.02 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.75 1xyg n THR 220 Cb 0.44 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.78 1xyg n THR 220 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1xyg s ARG 221 N 0.00 1.70 -0.00 -2.82 0.52 -1.25 -4.89 118.95 112.21 1xyg s ARG 221 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 1xyg s ARG 221 Cb 0.00 -1.73 -0.00 0.00 0.52 0.00 0.00 34.95 33.74 1xyg s ARG 221 CO 0.00 -0.27 -0.01 -1.58 0.02 0.00 0.00 175.30 173.47 1xyg s HIS 222 N 1.65 0.06 0.51 -0.53 2.46 -1.26 -4.69 115.29 113.50 1xyg s HIS 222 Ca 0.05 -0.01 0.25 0.00 0.47 0.00 0.00 55.06 55.82 1xyg s HIS 222 Cb -0.13 -0.04 1.38 0.00 -0.13 0.00 0.00 32.58 33.66 1xyg s HIS 222 CO -0.09 -0.00 1.76 0.00 -2.47 0.00 0.00 174.74 173.94 1xyg h ARG 223 N 6.15 0.00 0.00 2.88 3.08 -1.94 0.51 114.38 125.06 1xyg h ARG 223 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1xyg h ARG 223 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1xyg h ARG 223 CO 0.51 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.86 1xyg h HIS 224 N 0.00 0.00 0.06 3.04 3.86 -1.99 -3.36 115.15 116.75 1xyg h HIS 224 Ca 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1xyg h HIS 224 Cb 0.67 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.09 1xyg h HIS 224 CO 0.00 0.00 -0.43 0.28 0.86 0.00 0.00 177.93 178.64 1xyg h VAL 225 N 0.00 0.14 -0.27 2.45 2.07 -1.30 0.69 116.25 120.03 1xyg h VAL 225 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1xyg h VAL 225 Cb 0.83 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1xyg h VAL 225 CO 0.00 0.00 0.18 1.55 0.02 0.00 0.00 177.57 179.32 1xyg h PRO 226 N -0.62 0.32 -0.29 1.57 0.13 -1.78 -0.12 132.00 131.21 1xyg h PRO 226 Ca 0.03 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.09 1xyg h PRO 226 Cb 0.67 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1xyg h PRO 226 CO -0.29 0.21 -0.03 1.49 -0.23 0.00 0.00 178.00 179.16 1xyg h GLU 227 N 0.33 0.53 0.02 0.86 4.81 -1.55 -0.57 114.58 119.01 1xyg h GLU 227 Ca 0.10 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xyg h GLU 227 Cb 0.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1xyg h GLU 227 CO -0.02 0.70 -0.01 0.82 -0.73 0.00 0.00 179.01 179.77 1xyg h ILE 228 N 0.30 1.07 -0.34 2.32 2.04 -0.14 -2.81 117.51 119.95 1xyg h ILE 228 Ca 0.08 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 1xyg h ILE 228 Cb 0.48 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1xyg h ILE 228 CO 0.02 0.07 -0.01 -0.33 0.00 0.00 0.00 178.15 177.91 1xyg h GLU 229 N -0.15 0.53 0.13 2.37 5.08 -1.02 -2.19 114.58 119.33 1xyg h GLU 229 Ca -0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1xyg h GLU 229 Cb 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xyg h GLU 229 CO 0.00 0.56 -0.06 0.37 -1.00 0.00 0.00 179.01 178.88 1xyg h GLN 230 N 0.51 -0.17 -0.52 2.33 4.15 -0.97 0.48 115.11 120.92 1xyg h GLN 230 Ca 0.11 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1xyg h GLN 230 Cb 0.34 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 1xyg h GLN 230 CO 0.01 -0.10 0.30 0.78 -1.93 0.00 0.00 178.83 177.89 1xyg h GLY 231 N -0.19 0.77 1.10 2.39 0.00 -1.33 -1.53 103.07 104.29 1xyg h GLY 231 Ca -0.02 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 1xyg h GLY 231 CO 0.03 0.32 -0.33 1.41 0.00 0.00 0.00 176.54 177.98 1xyg h LEU 232 N 0.70 0.98 -0.85 3.11 3.38 -1.24 -3.07 115.31 118.32 1xyg h LEU 232 Ca 0.19 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1xyg h LEU 232 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1xyg h LEU 232 CO -0.03 1.22 0.47 0.28 0.09 0.00 0.00 178.44 180.47 1xyg h SER 233 N 0.75 1.06 -0.99 -0.43 0.02 0.14 -0.45 113.55 113.64 1xyg h SER 233 Ca 0.07 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xyg h SER 233 Cb 0.91 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 1xyg h SER 233 CO 0.08 0.85 0.65 0.44 -1.14 0.00 0.00 176.83 177.72 1xyg h ASP 234 N 1.19 1.12 0.01 3.07 3.32 -1.22 0.15 116.42 124.06 1xyg h ASP 234 Ca 0.30 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.15 1xyg h ASP 234 Cb 0.02 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.31 1xyg h ASP 234 CO -0.05 0.81 -0.68 1.62 -1.72 0.00 0.00 179.24 179.22 1xyg h VAL 235 N 1.32 1.42 0.00 -1.35 3.04 -1.38 -3.23 116.25 116.07 1xyg h VAL 235 Ca 0.37 -2.15 0.00 0.00 -1.01 0.00 0.00 66.70 63.91 1xyg h VAL 235 Cb -0.13 2.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1xyg h VAL 235 CO -0.09 0.63 0.00 0.00 -1.01 0.00 0.00 177.57 177.10 1xyg n ALA 236 N -2.60 2.08 -3.85 3.17 0.00 -0.21 -4.66 120.51 114.44 1xyg n ALA 236 Ca -0.11 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 1xyg n ALA 236 Cb 0.72 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1xyg n ALA 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xyg n GLN 237 N -1.49 -4.64 -3.53 0.00 6.02 0.50 -4.92 117.38 109.31 1xyg n GLN 237 Ca 0.06 0.54 -0.15 0.00 -0.01 0.00 0.00 57.00 57.44 1xyg n GLN 237 Cb 0.27 -5.37 -0.05 0.00 1.02 0.00 0.00 30.24 26.11 1xyg n GLN 237 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xyg s SER 238 N -3.17 -0.56 -0.04 1.08 0.15 -1.15 -5.07 113.70 104.94 1xyg s SER 238 Ca 0.63 0.58 -0.30 0.00 0.70 0.00 0.00 55.95 57.56 1xyg s SER 238 Cb -0.32 0.47 -0.06 0.00 -1.71 0.00 0.00 66.02 64.40 1xyg s SER 238 CO 0.77 -0.54 1.61 -0.75 1.20 0.00 0.00 173.24 175.53 1xyg s LYS 239 N -1.32 4.20 -0.19 5.44 2.47 -1.26 -4.38 119.74 124.69 1xyg s LYS 239 Ca -0.07 2.16 -0.07 0.00 -1.56 0.00 0.00 55.97 56.42 1xyg s LYS 239 Cb -0.00 -3.89 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 1xyg s LYS 239 CO 0.06 -0.80 0.06 0.08 0.16 0.00 0.00 175.35 174.91 1xyg s VAL 240 N 3.70 4.68 -0.22 4.02 1.01 -1.26 -5.03 120.40 127.31 1xyg s VAL 240 Ca 0.72 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 1xyg s VAL 240 Cb -0.33 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1xyg s VAL 240 CO 0.29 0.44 -0.09 -0.89 0.00 0.00 0.00 175.10 174.85 1xyg s THR 241 N 0.57 2.89 0.43 3.92 2.01 -1.26 -4.76 115.64 119.44 1xyg s THR 241 Ca 0.03 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.36 1xyg s THR 241 Cb -0.13 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1xyg s THR 241 CO 0.01 0.40 0.20 0.68 -0.69 0.00 0.00 174.62 175.23 1xyg s VAL 242 N 1.39 2.18 -0.18 3.82 -7.23 -1.26 -4.52 120.40 114.60 1xyg s VAL 242 Ca 0.04 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1xyg s VAL 242 Cb -0.14 -2.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.94 1xyg s VAL 242 CO -0.06 0.00 -0.13 -0.55 -0.31 0.00 0.00 175.10 174.05 1xyg s SER 243 N -3.96 3.78 -0.11 4.85 0.15 -0.85 -5.03 113.70 112.52 1xyg s SER 243 Ca 0.38 -0.47 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 1xyg s SER 243 Cb 0.03 -1.60 0.04 0.00 -1.71 0.00 0.00 66.02 62.77 1xyg s SER 243 CO 0.21 0.04 -0.00 0.12 1.20 0.00 0.00 173.24 174.81 1xyg s PHE 244 N 1.09 0.95 -0.24 3.44 5.36 -1.26 0.09 117.98 127.40 1xyg s PHE 244 Ca 0.00 -0.48 0.01 0.00 -0.96 0.00 0.00 56.93 55.50 1xyg s PHE 244 Cb -0.14 -0.96 0.06 0.00 -0.34 0.00 0.00 43.02 41.64 1xyg s PHE 244 CO -0.04 -0.44 -0.07 0.99 -1.46 0.00 0.00 175.22 174.20 1xyg s THR 245 N 1.88 1.66 0.61 0.12 2.01 -0.02 -4.50 115.64 117.40 1xyg s THR 245 Ca 0.03 -1.30 -0.15 0.00 0.31 0.00 0.00 61.69 60.59 1xyg s THR 245 Cb -0.14 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1xyg s THR 245 CO -0.07 -0.08 1.05 -2.84 -0.69 0.00 0.00 174.62 172.00 1xyg s PRO 246 N 1.34 3.30 -0.05 4.92 0.02 -1.23 -1.48 135.00 141.82 1xyg s PRO 246 Ca -0.06 1.11 -0.03 0.00 0.02 0.00 0.00 61.00 62.04 1xyg s PRO 246 Cb -0.19 -2.03 0.02 0.00 0.02 0.00 0.00 34.50 32.32 1xyg s PRO 246 CO -0.06 -0.82 0.11 -1.01 -0.33 0.00 0.00 177.00 174.90 1xyg s HIS 247 N -2.62 -0.12 -0.25 6.54 3.76 0.30 -2.11 115.29 120.79 1xyg s HIS 247 Ca 0.62 0.34 -0.18 0.00 -0.15 0.00 0.00 55.06 55.69 1xyg s HIS 247 Cb -0.15 -0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.50 1xyg s HIS 247 CO 0.41 -0.09 0.51 -1.17 -0.85 0.00 0.00 174.74 173.54 1xyg s LEU 248 N 0.48 4.06 0.01 0.89 2.96 0.56 -1.20 118.68 126.44 1xyg s LEU 248 Ca -0.04 0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 54.33 1xyg s LEU 248 Cb -0.05 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.93 1xyg s LEU 248 CO -0.02 -0.27 0.29 -0.04 -1.32 0.00 0.00 176.35 174.99 1xyg s MET 249 N 2.22 3.63 -1.44 1.98 -1.94 0.65 -3.46 119.30 120.93 1xyg s MET 249 Ca 0.21 0.00 -0.14 0.00 -1.71 0.00 0.00 55.69 54.05 1xyg s MET 249 Cb -0.16 -3.09 0.04 0.00 2.01 0.00 0.00 34.83 33.63 1xyg s MET 249 CO 0.09 0.65 2.21 -0.35 -0.01 0.00 0.00 175.02 177.61 1xyg n PRO 250 N 1.24 2.83 -3.45 2.03 -0.04 -1.25 -3.45 135.00 132.91 1xyg n PRO 250 Ca -0.12 -2.60 -0.12 0.00 -0.04 0.00 0.00 63.50 60.62 1xyg n PRO 250 Cb 0.53 -3.29 -0.02 0.00 -0.04 0.00 0.00 33.50 30.68 1xyg n PRO 250 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xyg s MET 251 N 3.26 1.18 -0.06 0.54 0.23 -1.26 -4.85 119.30 118.34 1xyg s MET 251 Ca 0.47 -0.35 -0.04 0.00 -1.03 0.00 0.00 55.69 54.74 1xyg s MET 251 Cb 0.14 0.54 -0.02 0.00 -1.53 0.00 0.00 34.83 33.96 1xyg s MET 251 CO -0.08 -0.50 0.22 0.82 -2.03 0.00 0.00 175.02 173.45 1xyg h ILE 252 N 2.12 0.00 -2.18 3.16 2.04 -1.92 0.11 117.51 120.84 1xyg h ILE 252 Ca -0.31 -0.67 -0.53 0.00 1.00 0.00 0.00 64.86 64.35 1xyg h ILE 252 Cb 1.28 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 1xyg h ILE 252 CO 0.37 0.00 -0.58 -0.13 0.00 0.00 0.00 178.15 177.81 1xyg s ARG 253 N -2.02 2.59 0.00 2.37 0.52 -1.26 -1.81 118.95 119.34 1xyg s ARG 253 Ca -0.02 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 1xyg s ARG 253 Cb 0.00 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1xyg s ARG 253 CO 0.07 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.17 1xyg n GLY 254 N -1.04 3.39 3.37 -3.53 0.00 -1.26 -4.59 105.19 101.52 1xyg n GLY 254 Ca -0.07 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 1xyg n GLY 254 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xyg s MET 255 N -4.87 0.55 -0.02 1.61 0.00 -0.24 -0.54 119.30 115.79 1xyg s MET 255 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 55.69 56.34 1xyg s MET 255 Cb 0.00 0.26 0.01 0.00 0.00 0.00 0.00 34.83 35.11 1xyg s MET 255 CO 0.00 -0.07 0.06 -1.14 0.00 0.00 0.00 175.02 173.87 1xyg s GLN 256 N 0.28 0.05 -0.15 4.11 0.74 -0.42 -1.79 119.66 122.48 1xyg s GLN 256 Ca -0.00 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.54 1xyg s GLN 256 Cb -0.03 -0.04 -0.00 0.00 1.10 0.00 0.00 33.01 34.03 1xyg s GLN 256 CO 0.00 -0.05 -0.17 -1.12 -0.55 0.00 0.00 175.29 173.40 1xyg s SER 257 N 0.34 3.55 -0.37 6.67 0.01 -0.42 -0.18 113.70 123.30 1xyg s SER 257 Ca -0.03 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.63 1xyg s SER 257 Cb -0.04 -1.54 0.02 0.00 0.21 0.00 0.00 66.02 64.68 1xyg s SER 257 CO -0.01 0.09 0.21 -0.89 0.41 0.00 0.00 173.24 173.05 1xyg s THR 258 N 0.76 4.66 -0.25 1.44 2.01 -0.61 -1.80 115.64 121.86 1xyg s THR 258 Ca -0.07 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 1xyg s THR 258 Cb -0.16 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1xyg s THR 258 CO 0.00 -0.21 0.11 -0.63 -0.69 0.00 0.00 174.62 173.20 1xyg s ILE 259 N 1.58 4.71 -0.38 1.82 1.01 0.19 -1.57 121.20 128.55 1xyg s ILE 259 Ca 0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 1xyg s ILE 259 Cb -0.19 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.12 1xyg s ILE 259 CO 0.07 0.34 0.22 -0.31 0.00 0.00 0.00 174.94 175.26 1xyg s TYR 260 N 1.42 3.26 0.29 3.97 2.02 0.57 -0.58 117.35 128.29 1xyg s TYR 260 Ca 0.06 -1.03 0.10 0.00 -0.37 0.00 0.00 57.07 55.83 1xyg s TYR 260 Cb -0.15 -2.52 -0.06 0.00 -0.40 0.00 0.00 41.96 38.83 1xyg s TYR 260 CO 0.05 -0.68 -0.14 0.14 -1.57 0.00 0.00 175.55 173.36 1xyg s VAL 261 N 1.54 2.16 -0.23 0.71 -7.23 -0.82 -1.48 120.40 115.05 1xyg s VAL 261 Ca 0.02 -2.27 -0.09 0.00 -1.81 0.00 0.00 61.98 57.83 1xyg s VAL 261 Cb -0.20 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1xyg s VAL 261 CO 0.06 -0.35 0.11 -0.70 -0.31 0.00 0.00 175.10 173.92 1xyg s GLU 262 N -3.60 3.92 0.49 4.82 2.12 -1.26 -0.89 118.70 124.30 1xyg s GLU 262 Ca 0.30 -0.35 -0.19 0.00 0.36 0.00 0.00 54.97 55.08 1xyg s GLU 262 Cb -0.01 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 30.89 1xyg s GLU 262 CO 0.14 0.02 1.01 -1.64 -0.54 0.00 0.00 175.26 174.25 1xyg s MET 263 N 1.11 3.87 0.89 4.30 -1.94 0.11 -0.62 119.30 127.03 1xyg s MET 263 Ca 0.06 1.22 -0.11 0.00 -1.71 0.00 0.00 55.69 55.15 1xyg s MET 263 Cb -0.14 -2.11 0.13 0.00 2.01 0.00 0.00 34.83 34.71 1xyg s MET 263 CO 0.04 -0.36 1.09 0.00 -0.01 0.00 0.00 175.02 175.79 1xyg s ALA 264 N -2.18 1.52 0.23 3.03 0.00 -0.38 -4.52 121.76 119.46 1xyg s ALA 264 Ca 0.64 0.10 -0.32 0.00 0.00 0.00 0.00 51.96 52.39 1xyg s ALA 264 Cb -0.13 -3.25 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 1xyg s ALA 264 CO 0.22 -2.41 1.36 -2.30 0.00 0.00 0.00 175.76 172.63 1xyg n PRO 265 N -3.94 1.85 0.00 0.00 -0.02 -1.26 -1.80 135.00 129.83 1xyg n PRO 265 Ca 0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1xyg n PRO 265 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1xyg n PRO 265 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xyg n GLY 266 N 2.12 2.27 3.72 -1.23 0.00 -1.26 -4.98 105.19 105.83 1xyg n GLY 266 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1xyg n GLY 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyg s VAL 267 N -2.16 4.55 0.36 1.61 1.01 -0.74 -5.05 120.40 119.97 1xyg s VAL 267 Ca 0.00 1.96 0.08 0.00 0.00 0.00 0.00 61.98 64.01 1xyg s VAL 267 Cb 0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1xyg s VAL 267 CO 0.00 0.22 0.21 -0.13 0.00 0.00 0.00 175.10 175.40 1xyg s ARG 268 N 0.52 2.44 0.40 2.72 0.52 -1.26 -4.75 118.95 119.54 1xyg s ARG 268 Ca 0.51 -1.55 0.08 0.00 -0.52 0.00 0.00 55.73 54.25 1xyg s ARG 268 Cb -0.24 -2.23 0.86 0.00 0.52 0.00 0.00 34.95 33.86 1xyg s ARG 268 CO 0.29 0.02 2.00 1.79 0.02 0.00 0.00 175.30 179.43 1xyg h THR 269 N 1.39 1.02 -0.77 0.02 1.35 -1.95 -1.12 112.91 112.86 1xyg h THR 269 Ca -0.43 -0.20 0.08 0.00 -0.55 0.00 0.00 66.41 65.30 1xyg h THR 269 Cb 1.25 0.38 -0.05 0.00 -1.73 0.00 0.00 68.15 68.00 1xyg h THR 269 CO 0.62 0.11 0.51 -0.33 -0.25 0.00 0.00 175.52 176.18 1xyg h GLU 270 N 0.59 0.74 -0.41 4.72 3.07 -1.98 -0.97 114.58 120.34 1xyg h GLU 270 Ca 0.24 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.96 1xyg h GLU 270 Cb 0.21 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1xyg h GLU 270 CO -0.07 0.49 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.48 1xyg h ASP 271 N 0.76 0.82 -0.47 1.42 3.32 -1.60 -1.12 116.42 119.55 1xyg h ASP 271 Ca 0.34 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1xyg h ASP 271 Cb 0.35 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1xyg h ASP 271 CO -0.12 1.00 0.24 -0.07 -1.72 0.00 0.00 179.24 178.56 1xyg h LEU 272 N 0.63 0.61 -0.36 1.55 3.38 -1.24 -1.13 115.31 118.74 1xyg h LEU 272 Ca 0.10 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xyg h LEU 272 Cb 0.65 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1xyg h LEU 272 CO 0.04 0.55 0.23 -0.74 0.09 0.00 0.00 178.44 178.61 1xyg h HIS 273 N 0.62 0.44 -0.61 1.13 2.76 -1.06 -1.55 115.15 116.87 1xyg h HIS 273 Ca 0.16 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 1xyg h HIS 273 Cb 0.09 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 1xyg h HIS 273 CO -0.01 0.27 0.24 0.37 -1.30 0.00 0.00 177.93 177.50 1xyg h GLN 274 N 0.47 0.92 -0.59 5.26 5.75 -1.00 0.94 115.11 126.85 1xyg h GLN 274 Ca 0.13 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1xyg h GLN 274 Cb -0.04 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 1xyg h GLN 274 CO -0.04 0.78 0.34 0.37 -2.65 0.00 0.00 178.83 177.64 1xyg h GLN 275 N 0.86 0.82 -0.40 1.69 5.75 -0.93 0.31 115.11 123.20 1xyg h GLN 275 Ca 0.20 -0.08 -0.09 0.00 -0.15 0.00 0.00 58.65 58.53 1xyg h GLN 275 Cb 0.21 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1xyg h GLN 275 CO -0.02 0.61 -0.11 -0.07 -2.65 0.00 0.00 178.83 176.59 1xyg h LEU 276 N 0.80 0.78 -0.89 -2.39 3.38 -1.03 0.22 115.31 116.20 1xyg h LEU 276 Ca 0.21 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1xyg h LEU 276 Cb 0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1xyg h LEU 276 CO -0.04 0.98 0.50 0.50 0.09 0.00 0.00 178.44 180.47 1xyg h LYS 277 N 0.59 1.24 -0.13 1.13 3.64 -0.51 -2.06 116.57 120.47 1xyg h LYS 277 Ca 0.10 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1xyg h LYS 277 Cb 0.64 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1xyg h LYS 277 CO 0.04 0.90 -0.15 1.15 -2.27 0.00 0.00 179.45 179.12 1xyg h THR 278 N 1.24 1.36 0.00 1.00 2.02 -0.78 -0.94 112.91 116.81 1xyg h THR 278 Ca 0.31 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1xyg h THR 278 Cb 0.01 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1xyg h THR 278 CO -0.05 0.39 -0.07 0.28 0.37 0.00 0.00 175.52 176.43 1xyg h SER 279 N -0.05 0.00 0.00 4.18 0.02 -0.73 -3.21 113.55 113.76 1xyg h SER 279 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1xyg h SER 279 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1xyg h SER 279 CO 0.04 0.07 -0.01 -1.22 -1.14 0.00 0.00 176.83 174.57 1xyg n TYR 280 N -4.13 0.00 -0.29 3.45 4.01 -0.79 -4.82 117.16 114.58 1xyg n TYR 280 Ca -0.03 -0.52 0.14 0.00 -0.16 0.00 0.00 57.90 57.34 1xyg n TYR 280 Cb 0.16 -0.06 0.40 0.00 -0.31 0.00 0.00 39.34 39.53 1xyg n TYR 280 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1xyg h GLU 281 N 0.00 0.62 -0.54 -0.72 4.11 -1.17 -1.34 114.58 115.54 1xyg h GLU 281 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1xyg h GLU 281 Cb 0.62 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1xyg h GLU 281 CO 0.00 0.41 0.00 -0.25 0.07 0.00 0.00 179.01 179.24 1xyg n ASP 282 N -4.60 4.36 -4.64 3.06 8.00 -1.26 -4.94 116.55 116.53 1xyg n ASP 282 Ca 0.20 -2.47 -0.40 0.00 0.71 0.00 0.00 54.79 52.83 1xyg n ASP 282 Cb 0.57 -0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 1xyg n ASP 282 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xyg s GLU 283 N -1.87 4.13 0.11 -1.24 0.41 -0.51 -4.98 118.70 114.76 1xyg s GLU 283 Ca 0.45 0.43 -0.21 0.00 -0.41 0.00 0.00 54.97 55.24 1xyg s GLU 283 Cb 0.30 -3.61 -0.10 0.00 -1.78 0.00 0.00 34.13 28.94 1xyg s GLU 283 CO 0.21 -0.29 1.75 1.49 -0.49 0.00 0.00 175.26 177.93 1xyg h GLU 284 N 7.75 0.18 -0.00 1.61 4.57 -1.92 -3.28 114.58 123.49 1xyg h GLU 284 Ca -0.30 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1xyg h GLU 284 Cb 1.14 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1xyg h GLU 284 CO 0.74 0.14 -0.24 1.19 -1.18 0.00 0.00 179.01 179.66 1xyg n PHE 285 N -4.98 0.00 -4.05 0.92 3.72 -1.26 -4.73 117.46 107.08 1xyg n PHE 285 Ca -0.05 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.03 1xyg n PHE 285 Cb 0.04 -0.23 -0.15 0.00 -0.94 0.00 0.00 39.48 38.20 1xyg n PHE 285 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xyg s VAL 286 N -2.69 2.30 -0.17 -4.37 1.01 -1.24 -0.17 120.40 115.07 1xyg s VAL 286 Ca 0.21 -1.48 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 1xyg s VAL 286 Cb 0.19 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1xyg s VAL 286 CO 0.55 0.04 -0.01 -0.54 0.00 0.00 0.00 175.10 175.14 1xyg s LYS 287 N 1.16 3.68 -0.33 2.72 -0.14 0.45 -4.70 119.74 122.58 1xyg s LYS 287 Ca -0.06 -0.50 -0.12 0.00 -1.36 0.00 0.00 55.97 53.92 1xyg s LYS 287 Cb -0.19 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 32.94 1xyg s LYS 287 CO -0.05 0.16 0.23 0.08 -0.76 0.00 0.00 175.35 175.01 1xyg s VAL 288 N 0.59 5.20 0.72 3.17 1.01 -1.26 -1.29 120.40 128.54 1xyg s VAL 288 Ca -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1xyg s VAL 288 Cb -0.14 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1xyg s VAL 288 CO 0.02 0.01 1.10 -0.76 0.00 0.00 0.00 175.10 175.47 1xyg s LEU 289 N 1.71 2.85 0.47 3.92 1.43 -0.27 -4.98 118.68 123.81 1xyg s LEU 289 Ca 0.06 1.18 -0.23 0.00 -1.03 0.00 0.00 54.13 54.11 1xyg s LEU 289 Cb -0.17 -3.94 -0.07 0.00 0.03 0.00 0.00 46.19 42.03 1xyg s LEU 289 CO 0.10 -1.46 1.22 -1.81 0.23 0.00 0.00 176.35 174.63 1xyg s ASP 290 N -4.25 6.01 0.20 2.29 1.01 -1.26 -4.79 116.67 115.87 1xyg s ASP 290 Ca 0.59 2.44 -0.32 0.00 0.71 0.00 0.00 52.55 55.97 1xyg s ASP 290 Cb -0.12 -2.61 -0.15 0.00 1.01 0.00 0.00 42.92 41.04 1xyg s ASP 290 CO 0.52 -1.03 1.08 -0.62 0.21 0.00 0.00 175.17 175.33 1xyg n GLU 291 N -0.50 1.09 0.00 8.23 1.02 -1.26 -1.17 120.64 128.05 1xyg n GLU 291 Ca 0.07 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1xyg n GLU 291 Cb 0.47 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1xyg n GLU 291 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xyg n GLY 292 N 1.82 2.78 3.69 0.62 0.00 -1.25 -5.02 105.19 107.83 1xyg n GLY 292 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1xyg n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyg s VAL 293 N -2.16 4.84 -0.27 1.61 1.01 -0.32 -5.02 120.40 120.10 1xyg s VAL 293 Ca 0.00 1.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.69 1xyg s VAL 293 Cb 0.00 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 1xyg s VAL 293 CO 0.00 0.05 0.58 -0.69 0.00 0.00 0.00 175.10 175.04 1xyg s VAL 294 N 1.83 5.01 0.69 2.92 1.01 -1.26 -4.76 120.40 125.84 1xyg s VAL 294 Ca 0.46 0.98 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 1xyg s VAL 294 Cb -0.18 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1xyg s VAL 294 CO 0.18 0.02 1.06 -2.16 0.00 0.00 0.00 175.10 174.20 1xyg s PRO 295 N 2.44 2.92 -0.02 2.72 0.04 -1.26 -5.07 135.00 136.77 1xyg s PRO 295 Ca 0.24 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.33 1xyg s PRO 295 Cb -0.15 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1xyg s PRO 295 CO 0.09 -1.12 -0.09 1.03 0.04 0.00 0.00 177.00 176.95 1xyg s ARG 296 N -4.85 0.96 0.52 4.56 0.52 -1.26 -5.01 118.95 114.39 1xyg s ARG 296 Ca 0.59 -0.31 0.21 0.00 -0.52 0.00 0.00 55.73 55.70 1xyg s ARG 296 Cb -0.15 -0.90 1.38 0.00 0.52 0.00 0.00 34.95 35.80 1xyg s ARG 296 CO 0.52 0.12 2.13 1.79 0.02 0.00 0.00 175.30 179.88 1xyg h THR 297 N 5.34 0.84 -0.56 0.02 1.35 -1.93 -0.74 112.91 117.23 1xyg h THR 297 Ca -0.33 -0.24 0.08 0.00 -0.55 0.00 0.00 66.41 65.37 1xyg h THR 297 Cb 1.17 1.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 1xyg h THR 297 CO 0.49 0.06 0.38 0.45 -0.25 0.00 0.00 175.52 176.65 1xyg h HIS 298 N 0.00 0.43 0.00 4.73 3.86 -1.95 -2.46 115.15 119.76 1xyg h HIS 298 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1xyg h HIS 298 Cb 0.13 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1xyg h HIS 298 CO 0.00 0.21 0.00 0.09 0.86 0.00 0.00 177.93 179.09 1xyg n ASN 299 N -4.47 0.30 -0.04 2.45 3.02 -0.29 -3.22 115.26 113.02 1xyg n ASN 299 Ca 0.09 0.55 0.01 0.00 -0.03 0.00 0.00 54.58 55.19 1xyg n ASN 299 Cb 0.33 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1xyg n ASN 299 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1xyg n VAL 300 N -1.81 0.00 -1.69 2.41 0.24 -0.96 -4.72 118.33 111.80 1xyg n VAL 300 Ca 0.04 -0.50 -0.54 0.00 -2.04 0.00 0.00 64.34 61.31 1xyg n VAL 300 Cb 0.27 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.60 1xyg n VAL 300 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1xyg n ARG 301 N -0.06 1.48 -1.00 7.34 0.63 -1.01 -1.25 116.66 122.78 1xyg n ARG 301 Ca 0.01 0.54 -0.00 0.00 -0.92 0.00 0.00 57.85 57.48 1xyg n ARG 301 Cb 0.03 -2.27 -0.00 0.00 0.45 0.00 0.00 32.46 30.67 1xyg n ARG 301 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xyg n GLY 302 N 4.05 0.44 3.40 5.14 0.00 -1.26 -0.54 105.19 116.42 1xyg n GLY 302 Ca 0.24 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 1xyg n GLY 302 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyg s SER 303 N -2.61 2.01 -0.12 1.61 1.04 -0.38 -4.65 113.70 110.60 1xyg s SER 303 Ca 0.00 -1.57 0.17 0.00 0.48 0.00 0.00 55.95 55.03 1xyg s SER 303 Cb 0.00 0.36 0.70 0.00 0.10 0.00 0.00 66.02 67.18 1xyg s SER 303 CO 0.00 -0.87 1.60 -3.20 0.98 0.00 0.00 173.24 171.76 1xyg n ASN 304 N -1.02 4.69 -4.88 7.02 5.15 -1.26 -4.09 115.26 120.88 1xyg n ASN 304 Ca -0.01 -2.49 -0.30 0.00 -0.60 0.00 0.00 54.58 51.18 1xyg n ASN 304 Cb 0.65 -0.58 -0.04 0.00 -0.53 0.00 0.00 39.78 39.28 1xyg n ASN 304 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1xyg s TYR 305 N -1.95 3.45 -0.09 1.20 2.02 -1.26 -4.55 117.35 116.17 1xyg s TYR 305 Ca 0.49 1.00 0.01 0.00 -0.37 0.00 0.00 57.07 58.20 1xyg s TYR 305 Cb 0.33 -2.39 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 1xyg s TYR 305 CO 0.22 -0.01 -0.10 0.00 -1.57 0.00 0.00 175.55 174.10 1xyg s HIS 307 N 1.21 2.83 0.05 0.00 3.76 -0.85 -0.41 115.29 121.88 1xyg s HIS 307 Ca -0.04 -0.26 0.01 0.00 -0.15 0.00 0.00 55.06 54.62 1xyg s HIS 307 Cb -0.14 -1.75 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 1xyg s HIS 307 CO -0.03 0.09 -0.06 0.00 -0.85 0.00 0.00 174.74 173.90 1xyg s MET 308 N -0.34 0.58 0.02 1.40 0.23 -0.41 -1.03 119.30 119.76 1xyg s MET 308 Ca 0.04 -0.95 -0.13 0.00 -1.03 0.00 0.00 55.69 53.61 1xyg s MET 308 Cb -0.13 -0.13 0.02 0.00 -1.53 0.00 0.00 34.83 33.06 1xyg s MET 308 CO 0.02 -0.01 0.28 0.45 -2.03 0.00 0.00 175.02 173.73 1xyg s SER 309 N -2.14 -0.11 -0.03 -1.18 0.15 -0.47 -1.11 113.70 108.79 1xyg s SER 309 Ca -0.03 -0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.55 1xyg s SER 309 Cb -0.03 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1xyg s SER 309 CO -0.03 -0.54 -0.18 -0.69 1.20 0.00 0.00 173.24 173.00 1xyg s VAL 310 N -2.09 2.71 0.05 4.45 1.01 -1.26 -1.52 120.40 123.75 1xyg s VAL 310 Ca -0.08 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1xyg s VAL 310 Cb -0.03 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1xyg s VAL 310 CO -0.01 0.57 -0.05 -0.36 0.00 0.00 0.00 175.10 175.26 1xyg s PHE 311 N -0.70 0.58 0.38 5.22 0.40 0.11 -3.92 117.98 120.04 1xyg s PHE 311 Ca 0.11 -0.74 -0.24 0.00 -0.60 0.00 0.00 56.93 55.47 1xyg s PHE 311 Cb -0.10 -0.37 -0.10 0.00 0.51 0.00 0.00 43.02 42.95 1xyg s PHE 311 CO 0.00 -0.20 0.95 -1.25 0.70 0.00 0.00 175.22 175.43 1xyg s PRO 312 N -2.64 4.40 0.22 0.24 0.04 -1.26 0.36 135.00 136.36 1xyg s PRO 312 Ca -0.02 1.24 -0.07 0.00 0.04 0.00 0.00 61.00 62.18 1xyg s PRO 312 Cb -0.02 -2.50 -0.06 0.00 0.04 0.00 0.00 34.50 31.96 1xyg s PRO 312 CO -0.04 0.12 0.50 0.34 0.04 0.00 0.00 177.00 177.96 1xyg s ASP 313 N -1.88 6.54 0.42 6.66 -1.08 -0.58 -4.63 116.67 122.13 1xyg s ASP 313 Ca 0.56 0.77 0.10 0.00 -0.52 0.00 0.00 52.55 53.46 1xyg s ASP 313 Cb -0.14 -2.17 0.92 0.00 -1.46 0.00 0.00 42.92 40.07 1xyg s ASP 313 CO 0.19 -0.06 2.02 -0.09 0.52 0.00 0.00 175.17 177.75 1xyg h ARG 314 N 2.43 0.30 -6.29 4.34 2.43 -1.96 -3.40 114.38 112.23 1xyg h ARG 314 Ca -0.47 -0.04 -0.57 0.00 -0.81 0.00 0.00 59.98 58.10 1xyg h ARG 314 Cb 1.17 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 1xyg h ARG 314 CO 0.69 0.29 0.94 0.42 -1.51 0.00 0.00 179.97 180.80 1xyg s ILE 315 N -5.09 4.22 0.20 1.20 1.01 -1.26 -4.96 121.20 116.51 1xyg s ILE 315 Ca -0.06 1.40 -0.32 0.00 0.00 0.00 0.00 60.65 61.66 1xyg s ILE 315 Cb 0.16 -4.14 -0.15 0.00 0.01 0.00 0.00 42.46 38.34 1xyg s ILE 315 CO 0.72 -0.39 1.29 -0.81 0.00 0.00 0.00 174.94 175.75 1xyg n PRO 316 N 7.09 1.58 0.00 2.79 -0.04 -1.26 -1.66 135.00 143.49 1xyg n PRO 316 Ca 0.14 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1xyg n PRO 316 Cb 0.46 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1xyg n PRO 316 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xyg n GLY 317 N 2.17 1.44 3.80 0.55 0.00 -1.26 -5.05 105.19 106.83 1xyg n GLY 317 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1xyg n GLY 317 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xyg s ARG 318 N -0.68 2.88 0.12 1.61 0.52 -0.67 0.08 118.95 122.82 1xyg s ARG 318 Ca 0.00 -0.91 0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1xyg s ARG 318 Cb 0.00 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 1xyg s ARG 318 CO 0.00 0.47 -0.06 0.00 0.02 0.00 0.00 175.30 175.73 1xyg s ALA 319 N -1.81 1.11 -0.10 2.13 0.00 -0.07 -1.52 121.76 121.50 1xyg s ALA 319 Ca 0.31 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1xyg s ALA 319 Cb -0.10 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1xyg s ALA 319 CO 0.23 -0.22 -0.18 0.42 0.00 0.00 0.00 175.76 176.01 1xyg s ILE 320 N -3.58 1.63 -0.12 0.00 1.01 0.16 -1.94 121.20 118.36 1xyg s ILE 320 Ca 0.14 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1xyg s ILE 320 Cb 0.05 -1.45 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 1xyg s ILE 320 CO -0.03 0.47 -0.20 -0.63 0.00 0.00 0.00 174.94 174.55 1xyg s ILE 321 N 0.67 2.40 -0.14 2.92 1.01 0.25 0.04 121.20 128.34 1xyg s ILE 321 Ca -0.13 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 1xyg s ILE 321 Cb -0.16 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1xyg s ILE 321 CO 0.03 0.54 -0.09 -0.63 0.00 0.00 0.00 174.94 174.79 1xyg s ILE 322 N 0.49 3.36 -0.06 2.92 1.01 -0.57 0.57 121.20 128.91 1xyg s ILE 322 Ca -0.13 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 1xyg s ILE 322 Cb -0.17 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1xyg s ILE 322 CO 0.05 0.51 -0.03 -0.55 0.00 0.00 0.00 174.94 174.92 1xyg s SER 323 N 0.40 1.39 0.11 3.58 0.15 -0.75 -1.37 113.70 117.21 1xyg s SER 323 Ca -0.08 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.50 1xyg s SER 323 Cb -0.15 -0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 63.62 1xyg s SER 323 CO 0.04 -0.12 -0.16 0.68 1.20 0.00 0.00 173.24 174.88 1xyg s VAL 324 N 1.46 1.45 0.31 4.45 -7.23 -0.19 -1.31 120.40 119.34 1xyg s VAL 324 Ca -0.02 -1.62 -0.15 0.00 -1.81 0.00 0.00 61.98 58.38 1xyg s VAL 324 Cb -0.13 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.35 1xyg s VAL 324 CO -0.03 -0.27 0.65 0.27 -0.31 0.00 0.00 175.10 175.40 1xyg s ILE 325 N -1.70 0.00 -0.34 -0.62 -4.36 -0.74 -2.01 121.20 111.43 1xyg s ILE 325 Ca 0.07 -1.18 -0.18 0.00 -0.26 0.00 0.00 60.65 59.10 1xyg s ILE 325 Cb -0.07 -2.40 -0.01 0.00 1.25 0.00 0.00 42.46 41.23 1xyg s ILE 325 CO 0.04 0.00 0.51 -0.62 0.24 0.00 0.00 174.94 175.11 1xyg s ASP 326 N -3.03 6.33 0.54 4.36 -1.08 -1.26 -1.08 116.67 121.44 1xyg s ASP 326 Ca 0.18 0.03 0.26 0.00 -0.52 0.00 0.00 52.55 52.50 1xyg s ASP 326 Cb -0.04 -2.27 1.44 0.00 -1.46 0.00 0.00 42.92 40.59 1xyg s ASP 326 CO 0.11 -0.46 2.00 -0.55 0.52 0.00 0.00 175.17 176.79 1xyg h ASN 327 N 8.41 0.00 1.50 -0.34 -1.07 -1.91 -1.57 115.58 120.60 1xyg h ASN 327 Ca -0.28 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.05 1xyg h ASN 327 Cb 1.13 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.37 1xyg h ASN 327 CO 0.77 0.00 -0.52 -0.07 0.07 0.00 0.00 177.43 177.68 1xyg h LEU 328 N 0.00 0.00 0.00 6.14 3.38 -1.92 -3.00 115.31 119.91 1xyg h LEU 328 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1xyg h LEU 328 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1xyg h LEU 328 CO -0.00 0.18 0.00 0.52 0.09 0.00 0.00 178.44 179.23 1xyg n VAL 329 N -3.00 0.00 0.31 1.22 0.31 -0.62 -1.99 118.33 114.55 1xyg n VAL 329 Ca 0.01 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.54 1xyg n VAL 329 Cb 0.62 -0.69 0.97 0.00 -0.91 0.00 0.00 33.84 33.83 1xyg n VAL 329 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1xyg h LYS 330 N 0.00 0.00 -0.00 5.55 1.63 -1.67 0.65 116.57 122.72 1xyg h LYS 330 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xyg h LYS 330 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1xyg h LYS 330 CO 0.00 0.02 -0.21 0.41 -3.45 0.00 0.00 179.45 176.22 1xyg n GLY 331 N -0.64 -1.23 0.00 5.01 0.00 -1.02 -4.33 105.19 102.99 1xyg n GLY 331 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1xyg n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyg n ALA 332 N -1.32 0.00 0.08 4.61 0.00 0.02 -2.73 120.51 121.16 1xyg n ALA 332 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1xyg n ALA 332 Cb 0.32 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.30 1xyg n ALA 332 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xyg h SER 333 N 0.00 0.26 -0.20 0.00 0.02 -1.35 -1.22 113.55 111.06 1xyg h SER 333 Ca 0.00 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1xyg h SER 333 Cb 0.00 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1xyg h SER 333 CO 0.00 0.19 0.00 1.23 -1.14 0.00 0.00 176.83 177.11 1xyg h GLY 334 N 0.31 0.39 1.45 -3.77 0.00 0.08 -1.77 103.07 99.75 1xyg h GLY 334 Ca 0.12 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 1xyg h GLY 334 CO -0.03 0.26 -0.16 -1.61 0.00 0.00 0.00 176.54 175.00 1xyg h GLN 335 N 0.12 0.65 -0.46 4.80 4.15 -1.01 -0.53 115.11 122.84 1xyg h GLN 335 Ca 0.06 -0.22 0.04 0.00 0.77 0.00 0.00 58.65 59.29 1xyg h GLN 335 Cb 0.39 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 1xyg h GLN 335 CO 0.01 0.78 0.23 0.00 -1.93 0.00 0.00 178.83 177.92 1xyg h ALA 336 N 1.24 0.58 -0.37 3.38 0.00 -1.05 0.44 119.26 123.47 1xyg h ALA 336 Ca 0.10 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1xyg h ALA 336 Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xyg h ALA 336 CO 0.04 -0.12 -0.30 1.25 0.00 0.00 0.00 179.25 180.12 1xyg h LEU 337 N 0.46 0.83 -0.95 0.00 5.85 -1.06 -1.21 115.31 119.22 1xyg h LEU 337 Ca 0.20 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1xyg h LEU 337 Cb 0.10 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 1xyg h LEU 337 CO -0.14 1.06 0.60 -0.61 -0.34 0.00 0.00 178.44 179.02 1xyg h GLN 338 N 0.67 1.05 -0.13 1.25 4.15 -0.25 0.31 115.11 122.16 1xyg h GLN 338 Ca 0.08 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 1xyg h GLN 338 Cb 0.84 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1xyg h GLN 338 CO 0.07 0.69 -0.31 -0.91 -1.93 0.00 0.00 178.83 176.45 1xyg h ASN 339 N 1.08 0.50 -0.48 -0.69 2.35 -0.61 -3.21 115.58 114.53 1xyg h ASN 339 Ca 0.42 -0.57 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1xyg h ASN 339 Cb 0.20 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1xyg h ASN 339 CO -0.18 0.98 0.19 0.25 -1.65 0.00 0.00 177.43 177.02 1xyg h LEU 340 N 0.05 0.71 0.12 1.61 5.85 -0.76 -1.58 115.31 121.30 1xyg h LEU 340 Ca -0.00 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1xyg h LEU 340 Cb 0.91 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1xyg h LEU 340 CO 0.07 0.66 -0.48 0.78 -0.34 0.00 0.00 178.44 179.12 1xyg h ASN 341 N 0.76 -1.44 0.47 1.25 2.35 -0.95 -1.19 115.58 116.83 1xyg h ASN 341 Ca 0.18 0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 56.01 1xyg h ASN 341 Cb 0.19 0.54 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1xyg h ASN 341 CO -0.01 -0.53 -0.35 0.16 -1.65 0.00 0.00 177.43 175.05 1xyg h ILE 342 N -0.72 1.11 -0.07 2.81 3.07 -1.56 0.50 117.51 122.65 1xyg h ILE 342 Ca 0.01 -1.25 -0.06 0.00 1.55 0.00 0.00 64.86 65.10 1xyg h ILE 342 Cb 0.73 1.70 -0.01 0.00 -0.27 0.00 0.00 36.82 38.97 1xyg h ILE 342 CO -0.27 0.34 -0.24 0.24 -1.05 0.00 0.00 178.15 177.17 1xyg h MET 343 N 0.00 0.12 -0.31 0.16 2.86 -0.74 -2.25 114.93 114.78 1xyg h MET 343 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1xyg h MET 343 Cb 0.67 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1xyg h MET 343 CO 0.05 0.36 0.00 1.28 1.06 0.00 0.00 176.91 179.66 1xyg n LEU 344 N -4.21 2.78 0.00 1.22 4.77 -0.50 -4.92 117.00 116.15 1xyg n LEU 344 Ca -0.01 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1xyg n LEU 344 Cb 0.33 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1xyg n LEU 344 CO 0.38 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1xyg n GLY 345 N 1.36 0.49 3.98 -0.72 0.00 -0.84 -5.06 105.19 104.40 1xyg n GLY 345 Ca 0.18 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 1xyg n GLY 345 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyg s TYR 346 N -2.00 3.27 0.27 1.61 1.51 0.13 -4.98 117.35 117.16 1xyg s TYR 346 Ca 0.00 -0.05 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 1xyg s TYR 346 Cb 0.00 -1.89 -0.12 0.00 -0.11 0.00 0.00 41.96 39.84 1xyg s TYR 346 CO 0.00 0.10 1.55 -2.30 -1.11 0.00 0.00 175.55 173.80 1xyg n PRO 347 N -1.63 2.52 -0.34 -1.71 -0.02 -1.26 -3.66 135.00 128.89 1xyg n PRO 347 Ca -0.03 0.90 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 1xyg n PRO 347 Cb 0.57 -2.65 0.30 0.00 -0.02 0.00 0.00 33.50 31.71 1xyg n PRO 347 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xyg h GLU 348 N 4.74 0.74 -0.03 -0.52 4.81 -1.89 -1.77 114.58 120.66 1xyg h GLU 348 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1xyg h GLU 348 Cb 1.24 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1xyg h GLU 348 CO 0.79 0.49 0.00 0.25 -0.73 0.00 0.00 179.01 179.81 1xyg n THR 349 N -4.78 0.03 -1.67 0.32 -2.24 -1.26 -4.67 114.28 100.01 1xyg n THR 349 Ca 0.22 -0.12 -0.49 0.00 -2.27 0.00 0.00 64.05 61.38 1xyg n THR 349 Cb 0.54 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 1xyg n THR 349 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xyg n THR 350 N -0.44 0.32 -1.66 4.28 -1.04 -0.67 -1.02 114.28 114.05 1xyg n THR 350 Ca 0.20 -0.06 -0.18 0.00 -2.04 0.00 0.00 64.05 61.98 1xyg n THR 350 Cb 0.21 -1.57 -0.06 0.00 -1.82 0.00 0.00 70.33 67.08 1xyg n THR 350 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xyg n GLY 351 N 3.90 1.35 0.36 3.41 0.00 -1.26 -4.85 105.19 108.09 1xyg n GLY 351 Ca 0.21 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.12 1xyg n GLY 351 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xyg n LEU 352 N -2.10 1.39 -1.68 0.99 4.77 -0.19 -4.80 117.00 115.38 1xyg n LEU 352 Ca -0.18 -2.28 0.07 0.00 -0.03 0.00 0.00 56.01 53.59 1xyg n LEU 352 Cb 0.59 -0.25 0.35 0.00 -2.33 0.00 0.00 43.42 41.79 1xyg n LEU 352 CO 0.26 0.57 0.79 0.18 -1.33 0.00 0.00 177.39 177.87 1xyg n LEU 353 N -0.75 5.01 -4.71 2.23 4.77 -1.25 -4.62 117.00 117.68 1xyg n LEU 353 Ca 0.09 -2.54 -0.43 0.00 -0.03 0.00 0.00 56.01 53.10 1xyg n LEU 353 Cb 0.70 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1xyg n LEU 353 CO -0.00 0.61 1.14 1.41 -1.33 0.00 0.00 177.39 179.22 1xyg n HIS 354 N 0.63 2.54 -3.33 -1.77 8.25 -1.26 -4.96 115.22 115.31 1xyg n HIS 354 Ca 0.24 0.33 -0.31 0.00 -0.26 0.00 0.00 57.72 57.72 1xyg n HIS 354 Cb 1.03 -2.54 -0.05 0.00 1.12 0.00 0.00 29.99 29.56 1xyg n HIS 354 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1xyg s GLN 355 N -0.41 3.80 0.24 -0.41 -1.52 -1.26 -4.51 119.66 115.59 1xyg s GLN 355 Ca 0.66 0.30 -0.30 0.00 -1.95 0.00 0.00 55.36 54.08 1xyg s GLN 355 Cb -0.57 -2.60 -0.15 0.00 -0.22 0.00 0.00 33.01 29.47 1xyg s GLN 355 CO 0.49 0.26 1.03 -2.30 -0.25 0.00 0.00 175.29 174.52 1xyg n PRO 356 N -0.34 1.19 -3.04 2.91 -0.02 -1.26 -4.73 135.00 129.70 1xyg n PRO 356 Ca 0.01 0.42 -0.45 0.00 -2.02 0.00 0.00 63.50 61.46 1xyg n PRO 356 Cb 0.53 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 1xyg n PRO 356 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xyg s LEU 357 N 0.72 5.46 -0.03 2.45 2.96 0.30 -4.97 118.68 125.56 1xyg s LEU 357 Ca 0.64 -2.56 0.03 0.00 -0.22 0.00 0.00 54.13 52.02 1xyg s LEU 357 Cb -0.77 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 43.57 1xyg s LEU 357 CO 0.57 -0.82 -0.11 0.12 -1.32 0.00 0.00 176.35 174.79 1xyg s PHE 358 N 1.59 1.16 -2.00 5.38 2.19 -1.26 -4.89 117.98 120.16 1xyg s PHE 358 Ca 0.33 -0.32 0.24 0.00 0.33 0.00 0.00 56.93 57.51 1xyg s PHE 358 Cb -0.06 -0.83 1.44 0.00 -1.31 0.00 0.00 43.02 42.27 1xyg s PHE 358 CO -0.07 -0.14 1.81 -0.35 1.83 0.00 0.00 175.22 178.30