#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xag s LYS 2 N 0.00 2.92 0.53 2.12 2.20 -1.26 -0.35 119.74 125.90 1xag s LYS 2 Ca 0.00 -0.97 0.07 0.00 -0.36 0.00 0.00 55.97 54.71 1xag s LYS 2 Cb 0.00 -3.39 0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1xag s LYS 2 CO 0.00 -0.52 0.50 -0.51 -0.36 0.00 0.00 175.35 174.46 1xag s LEU 3 N 1.46 2.92 -0.27 5.43 1.43 -0.28 -4.94 118.68 124.44 1xag s LEU 3 Ca 0.01 -1.06 -0.26 0.00 -1.03 0.00 0.00 54.13 51.79 1xag s LEU 3 Cb -0.18 -1.44 0.14 0.00 0.03 0.00 0.00 46.19 44.74 1xag s LEU 3 CO 0.02 -1.10 1.15 0.00 0.23 0.00 0.00 176.35 176.66 1xag s GLN 4 N -4.36 0.38 0.88 1.70 -2.07 -1.26 -0.45 119.66 114.47 1xag s GLN 4 Ca 0.44 0.35 -0.10 0.00 -1.82 0.00 0.00 55.36 54.22 1xag s GLN 4 Cb -0.03 0.18 0.12 0.00 -1.09 0.00 0.00 33.01 32.19 1xag s GLN 4 CO 0.27 -0.07 1.14 0.95 -1.32 0.00 0.00 175.29 176.27 1xag s THR 5 N -0.13 2.28 -0.29 3.63 -4.23 -1.05 -4.98 115.64 110.86 1xag s THR 5 Ca 0.04 0.09 0.16 0.00 -1.18 0.00 0.00 61.69 60.80 1xag s THR 5 Cb -0.04 -2.23 0.48 0.00 1.34 0.00 0.00 72.50 72.05 1xag s THR 5 CO -0.07 -0.12 1.11 0.35 -0.54 0.00 0.00 174.62 175.35 1xag n THR 6 N -4.02 1.69 -1.50 3.99 -2.24 -1.26 -4.70 114.28 106.24 1xag n THR 6 Ca 0.12 -3.49 -0.29 0.00 -2.27 0.00 0.00 64.05 58.11 1xag n THR 6 Cb 0.52 0.28 0.11 0.00 -2.10 0.00 0.00 70.33 69.15 1xag n THR 6 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xag s TYR 7 N -3.63 2.64 0.33 4.78 1.51 -1.26 -4.91 117.35 116.80 1xag s TYR 7 Ca 0.36 1.04 0.11 0.00 -1.01 0.00 0.00 57.07 57.56 1xag s TYR 7 Cb 0.37 -3.23 0.92 0.00 -0.11 0.00 0.00 41.96 39.91 1xag s TYR 7 CO -0.02 -2.09 1.73 -1.35 -1.11 0.00 0.00 175.55 172.71 1xag h PRO 8 N -1.31 0.54 0.00 -1.71 0.11 -1.98 -3.45 132.00 124.19 1xag h PRO 8 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1xag h PRO 8 Cb 1.30 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xag h PRO 8 CO 0.60 0.35 0.03 -1.13 -0.21 0.00 0.00 178.00 177.64 1xag n SER 9 N -4.88 -0.44 -3.91 -2.05 3.41 -1.26 -5.02 113.62 99.48 1xag n SER 9 Ca 0.27 -1.37 -0.39 0.00 -0.26 0.00 0.00 58.87 57.12 1xag n SER 9 Cb 0.77 0.74 0.03 0.00 -0.26 0.00 0.00 64.21 65.49 1xag n SER 9 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xag n ASN 10 N -1.41 -4.66 -4.95 4.04 5.03 -1.26 -4.97 115.26 107.08 1xag n ASN 10 Ca -0.01 -1.16 -0.23 0.00 0.87 0.00 0.00 54.58 54.05 1xag n ASN 10 Cb 0.13 -2.25 -0.03 0.00 -1.02 0.00 0.00 39.78 36.61 1xag n ASN 10 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1xag s ASN 11 N -3.44 6.28 0.09 6.41 0.02 -1.26 -4.94 114.94 118.09 1xag s ASN 11 Ca 0.43 0.10 0.06 0.00 -1.02 0.00 0.00 52.86 52.42 1xag s ASN 11 Cb -0.21 -1.86 -0.03 0.00 0.02 0.00 0.00 41.25 39.17 1xag s ASN 11 CO 0.93 -0.02 -0.15 -0.72 0.02 0.00 0.00 177.10 177.16 1xag s TYR 12 N -1.89 1.33 0.30 2.20 1.13 -1.26 -5.00 117.35 114.16 1xag s TYR 12 Ca 0.34 -0.48 -0.13 0.00 -1.41 0.00 0.00 57.07 55.39 1xag s TYR 12 Cb -0.10 -0.73 -0.08 0.00 -1.10 0.00 0.00 41.96 39.95 1xag s TYR 12 CO 0.29 0.09 0.68 -1.25 -2.51 0.00 0.00 175.55 172.85 1xag s PRO 13 N -1.98 3.93 -0.44 -3.49 0.04 -1.26 -2.54 135.00 129.26 1xag s PRO 13 Ca 0.02 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.61 1xag s PRO 13 Cb -0.09 -2.50 0.12 0.00 0.04 0.00 0.00 34.50 32.08 1xag s PRO 13 CO 0.03 0.20 0.20 0.42 0.04 0.00 0.00 177.00 177.89 1xag s ILE 14 N -1.95 1.84 -0.51 0.56 1.01 0.40 -1.20 121.20 121.35 1xag s ILE 14 Ca 0.52 -2.64 -0.28 0.00 0.00 0.00 0.00 60.65 58.25 1xag s ILE 14 Cb -0.10 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.09 1xag s ILE 14 CO 0.19 -0.80 1.11 -0.31 0.00 0.00 0.00 174.94 175.13 1xag s TYR 15 N 0.37 2.76 -0.31 3.97 2.02 -0.16 -1.12 117.35 124.88 1xag s TYR 15 Ca 0.16 0.52 0.02 0.00 -0.37 0.00 0.00 57.07 57.39 1xag s TYR 15 Cb -0.23 -4.37 0.08 0.00 -0.40 0.00 0.00 41.96 37.03 1xag s TYR 15 CO -0.04 -1.35 -0.01 0.08 -1.57 0.00 0.00 175.55 172.66 1xag s VAL 16 N 4.48 2.47 -0.05 0.71 1.01 0.53 0.17 120.40 129.73 1xag s VAL 16 Ca 0.44 -1.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.24 1xag s VAL 16 Cb -0.08 -2.60 0.11 0.00 0.00 0.00 0.00 36.38 33.82 1xag s VAL 16 CO 0.28 -0.30 1.09 -1.83 0.00 0.00 0.00 175.10 174.35 1xag s GLU 17 N 1.07 0.61 0.05 2.72 -1.05 -0.83 -1.34 118.70 119.93 1xag s GLU 17 Ca -0.00 -0.28 -0.31 0.00 -0.15 0.00 0.00 54.97 54.24 1xag s GLU 17 Cb -0.20 0.25 -0.06 0.00 -0.44 0.00 0.00 34.13 33.68 1xag s GLU 17 CO -0.05 -0.27 1.33 -1.01 0.95 0.00 0.00 175.26 176.21 1xag s HIS 18 N -2.76 3.16 0.00 4.83 3.76 -1.26 -2.36 115.29 120.65 1xag s HIS 18 Ca 0.10 1.01 0.00 0.00 -0.15 0.00 0.00 55.06 56.02 1xag s HIS 18 Cb 0.00 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 30.10 1xag s HIS 18 CO -0.05 -2.06 0.00 0.41 -0.85 0.00 0.00 174.74 172.19 1xag n GLY 19 N 3.47 0.64 0.15 -2.22 0.00 -1.26 -4.91 105.19 101.06 1xag n GLY 19 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1xag n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xag n ALA 20 N 0.26 0.63 0.14 4.61 0.00 -1.03 -1.95 120.51 123.17 1xag n ALA 20 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1xag n ALA 20 Cb 0.00 -0.79 0.43 0.00 0.00 0.00 0.00 19.45 19.09 1xag n ALA 20 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1xag n ILE 21 N -1.99 1.02 0.27 0.00 0.13 -1.26 -1.51 119.36 116.01 1xag n ILE 21 Ca -0.01 0.70 0.15 0.00 -1.10 0.00 0.00 62.75 62.50 1xag n ILE 21 Cb 0.30 -1.70 0.65 0.00 -0.84 0.00 0.00 39.64 38.05 1xag n ILE 21 CO 0.00 0.00 0.00 0.07 2.80 0.00 0.00 176.55 179.42 1xag h LYS 22 N 0.00 0.00 0.00 9.51 2.10 -1.81 -3.01 116.57 123.36 1xag h LYS 22 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xag h LYS 22 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1xag h LYS 22 CO 0.00 0.07 0.00 0.66 -2.00 0.00 0.00 179.45 178.18 1xag n TYR 23 N -3.21 0.89 -0.08 0.07 4.01 -0.57 -3.57 117.16 114.69 1xag n TYR 23 Ca 0.00 0.28 -0.00 0.00 -0.16 0.00 0.00 57.90 58.02 1xag n TYR 23 Cb 0.32 -0.96 0.28 0.00 -0.31 0.00 0.00 39.34 38.67 1xag n TYR 23 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1xag h ILE 24 N 0.00 1.19 -0.37 -0.72 2.04 -1.73 -3.28 117.51 114.63 1xag h ILE 24 Ca 0.00 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.30 1xag h ILE 24 Cb 0.63 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 1xag h ILE 24 CO 0.00 0.23 -0.43 1.23 0.00 0.00 0.00 178.15 179.19 1xag h GLY 25 N 0.86 -1.25 -0.21 5.37 0.00 -1.79 -1.81 103.07 104.23 1xag h GLY 25 Ca 0.17 0.77 0.14 0.00 0.00 0.00 0.00 47.33 48.41 1xag h GLY 25 CO -0.01 -0.26 -0.04 -0.91 0.00 0.00 0.00 176.54 175.31 1xag h THR 26 N -0.26 0.41 -0.04 4.70 1.35 -1.83 -2.35 112.91 114.90 1xag h THR 26 Ca 0.06 -0.03 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1xag h THR 26 Cb 0.43 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1xag h THR 26 CO -0.49 0.01 0.02 1.88 -0.25 0.00 0.00 175.52 176.70 1xag h TYR 27 N 0.08 0.05 -0.53 4.73 0.05 -1.58 -2.80 116.97 116.96 1xag h TYR 27 Ca 0.35 -0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.28 1xag h TYR 27 Cb 0.57 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 1xag h TYR 27 CO -0.43 0.09 0.39 -0.07 -1.05 0.00 0.00 178.16 177.09 1xag h LEU 28 N -0.00 0.00 -0.08 3.88 3.38 -0.81 0.92 115.31 122.60 1xag h LEU 28 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xag h LEU 28 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xag h LEU 28 CO -0.00 0.00 0.00 -1.13 0.09 0.00 0.00 178.44 177.40 1xag h ASN 29 N 0.00 0.00 0.97 -0.43 -1.24 -1.23 -3.27 115.58 110.38 1xag h ASN 29 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.26 1xag h ASN 29 Cb 1.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1xag h ASN 29 CO -0.00 0.00 -0.61 1.56 -1.29 0.00 0.00 177.43 177.09 1xag h GLN 30 N 0.00 0.00 -6.07 6.67 1.08 -0.71 -3.47 115.11 112.60 1xag h GLN 30 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 1xag h GLN 30 Cb 0.83 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.22 1xag h GLN 30 CO 0.00 0.00 -0.48 -0.06 -0.95 0.00 0.00 178.83 177.34 1xag s PHE 31 N -3.19 3.43 0.03 2.96 0.08 -1.20 -5.02 117.98 115.06 1xag s PHE 31 Ca 0.06 0.09 -0.27 0.00 0.12 0.00 0.00 56.93 56.93 1xag s PHE 31 Cb 0.12 -1.64 -0.17 0.00 -0.57 0.00 0.00 43.02 40.77 1xag s PHE 31 CO 0.72 0.52 1.37 -0.44 -0.10 0.00 0.00 175.22 177.28 1xag h ASP 32 N 2.20 -0.44 -4.54 1.36 3.32 -1.29 -3.46 116.42 113.57 1xag h ASP 32 Ca -0.48 -0.10 -0.25 0.00 0.02 0.00 0.00 57.03 56.21 1xag h ASP 32 Cb 1.20 0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.71 1xag h ASP 32 CO 0.68 -0.15 -0.68 -1.10 -1.72 0.00 0.00 179.24 176.27 1xag s GLN 33 N -5.13 0.96 -0.02 3.56 -0.21 -1.26 -4.86 119.66 112.70 1xag s GLN 33 Ca -0.15 -1.42 -0.02 0.00 0.02 0.00 0.00 55.36 53.79 1xag s GLN 33 Cb 0.03 -0.25 0.01 0.00 1.00 0.00 0.00 33.01 33.79 1xag s GLN 33 CO 0.57 -0.06 0.06 -1.12 -2.12 0.00 0.00 175.29 172.62 1xag s SER 34 N -3.10 -0.06 -0.22 5.90 0.01 0.18 -1.99 113.70 114.42 1xag s SER 34 Ca 0.17 0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.56 1xag s SER 34 Cb 0.05 0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.45 1xag s SER 34 CO -0.01 -0.02 -0.11 -0.36 0.41 0.00 0.00 173.24 173.15 1xag s PHE 35 N 0.05 2.72 -0.67 2.43 0.08 -0.21 -0.40 117.98 121.98 1xag s PHE 35 Ca -0.00 -1.86 -0.25 0.00 0.12 0.00 0.00 56.93 54.94 1xag s PHE 35 Cb -0.01 -1.75 0.05 0.00 -0.57 0.00 0.00 43.02 40.75 1xag s PHE 35 CO 0.00 -0.80 1.09 -0.51 -0.10 0.00 0.00 175.22 174.90 1xag s LEU 36 N 1.29 3.87 -0.48 -0.37 1.02 0.20 -1.53 118.68 122.67 1xag s LEU 36 Ca -0.04 -0.67 -0.22 0.00 0.02 0.00 0.00 54.13 53.22 1xag s LEU 36 Cb -0.18 -2.55 0.03 0.00 0.02 0.00 0.00 46.19 43.52 1xag s LEU 36 CO -0.07 -1.56 0.76 -0.76 0.02 0.00 0.00 176.35 174.73 1xag s LEU 37 N 4.70 4.41 0.02 1.79 1.02 -0.52 0.14 118.68 130.23 1xag s LEU 37 Ca 0.29 -0.37 0.09 0.00 0.02 0.00 0.00 54.13 54.16 1xag s LEU 37 Cb -0.13 -2.78 -0.03 0.00 0.02 0.00 0.00 46.19 43.27 1xag s LEU 37 CO 0.14 -0.95 -0.26 -0.51 0.02 0.00 0.00 176.35 174.78 1xag s ILE 38 N 3.21 2.08 0.32 -0.59 2.07 -0.21 -2.17 121.20 125.91 1xag s ILE 38 Ca 0.26 -1.28 -0.29 0.00 -1.41 0.00 0.00 60.65 57.92 1xag s ILE 38 Cb -0.14 -1.76 -0.12 0.00 0.13 0.00 0.00 42.46 40.57 1xag s ILE 38 CO 0.19 0.43 1.47 -0.67 -1.91 0.00 0.00 174.94 174.45 1xag n ASP 39 N 2.01 3.42 -0.22 4.50 -0.08 -1.21 -1.72 116.55 123.26 1xag n ASP 39 Ca -0.17 1.18 0.02 0.00 -1.51 0.00 0.00 54.79 54.31 1xag n ASP 39 Cb 0.52 -1.55 0.11 0.00 2.34 0.00 0.00 41.12 42.53 1xag n ASP 39 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1xag h GLU 40 N 3.68 0.10 -0.01 -0.67 4.81 -1.23 0.59 114.58 121.85 1xag h GLU 40 Ca -0.47 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 1xag h GLU 40 Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1xag h GLU 40 CO 0.71 0.07 -0.14 1.88 -0.73 0.00 0.00 179.01 180.79 1xag h TYR 41 N 0.10 0.16 -0.72 0.92 0.99 -1.91 -3.15 116.97 113.36 1xag h TYR 41 Ca 0.34 -0.08 0.17 0.00 2.00 0.00 0.00 58.73 61.16 1xag h TYR 41 Cb 0.56 -0.02 -0.04 0.00 1.00 0.00 0.00 36.73 38.23 1xag h TYR 41 CO -0.39 0.86 0.50 0.28 -0.00 0.00 0.00 178.16 179.40 1xag h VAL 42 N -0.59 0.72 -0.26 -2.88 2.07 -1.81 0.61 116.25 114.11 1xag h VAL 42 Ca -0.02 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1xag h VAL 42 Cb 0.89 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xag h VAL 42 CO 0.03 0.04 0.14 -1.13 0.02 0.00 0.00 177.57 176.67 1xag h ASN 43 N 0.22 0.33 0.01 0.57 -1.24 0.21 -1.12 115.58 114.55 1xag h ASN 43 Ca 0.35 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.28 1xag h ASN 43 Cb 1.07 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.03 1xag h ASN 43 CO -0.07 0.32 -0.05 1.56 -1.29 0.00 0.00 177.43 177.89 1xag h GLN 44 N 0.31 -0.10 -0.51 6.67 1.08 -0.86 0.79 115.11 122.49 1xag h GLN 44 Ca 0.09 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1xag h GLN 44 Cb 0.07 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1xag h GLN 44 CO -0.01 -0.06 0.28 1.88 -0.95 0.00 0.00 178.83 179.96 1xag h TYR 45 N -0.10 0.68 0.00 2.96 0.05 -1.22 -3.33 116.97 116.02 1xag h TYR 45 Ca 0.02 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1xag h TYR 45 Cb 0.12 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.64 1xag h TYR 45 CO -0.12 0.48 -0.01 1.19 -1.05 0.00 0.00 178.16 178.65 1xag n PHE 46 N -4.41 0.00 -0.29 4.88 3.01 -0.44 -4.83 117.46 115.38 1xag n PHE 46 Ca 0.04 -0.38 0.04 0.00 1.01 0.00 0.00 57.45 58.17 1xag n PHE 46 Cb 0.10 -0.04 0.13 0.00 -0.01 0.00 0.00 39.48 39.65 1xag n PHE 46 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xag h ALA 47 N 0.00 0.64 -0.83 4.37 0.00 0.49 -2.16 119.26 121.78 1xag h ALA 47 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 54.91 55.29 1xag h ALA 47 Cb 0.67 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 1xag h ALA 47 CO 0.00 -0.42 -0.51 -0.91 0.00 0.00 0.00 179.25 177.41 1xag h ASN 48 N 0.02 -1.85 -0.14 0.00 -0.26 -1.87 0.20 115.58 111.67 1xag h ASN 48 Ca 0.42 0.28 0.04 0.00 -0.56 0.00 0.00 56.30 56.48 1xag h ASN 48 Cb 0.68 0.82 -0.01 0.00 -1.06 0.00 0.00 38.32 38.75 1xag h ASN 48 CO -0.82 -0.21 0.49 0.11 -1.06 0.00 0.00 177.43 175.94 1xag h LYS 49 N -0.02 0.00 0.00 0.81 1.79 -1.77 -1.40 116.57 115.97 1xag h LYS 49 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1xag h LYS 49 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1xag h LYS 49 CO -0.79 0.00 -1.46 1.19 -1.08 0.00 0.00 179.45 177.31 1xag n PHE 50 N -3.04 0.00 0.11 -1.35 3.72 0.64 -4.40 117.46 113.14 1xag n PHE 50 Ca 0.02 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.61 1xag n PHE 50 Cb 0.57 -0.25 0.76 0.00 -0.94 0.00 0.00 39.48 39.62 1xag n PHE 50 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1xag h ASP 51 N 0.00 0.00 0.24 4.37 3.45 -0.68 -1.63 116.42 122.17 1xag h ASP 51 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1xag h ASP 51 Cb 0.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 1xag h ASP 51 CO 0.00 0.00 -0.12 0.44 -1.57 0.00 0.00 179.24 177.99 1xag h ASP 52 N 0.00 -0.28 -0.17 6.45 3.32 -1.77 -3.29 116.42 120.69 1xag h ASP 52 Ca 0.17 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.28 1xag h ASP 52 Cb 0.89 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1xag h ASP 52 CO -0.00 0.13 0.16 -0.29 -1.72 0.00 0.00 179.24 177.52 1xag h ILE 53 N -0.99 0.57 -0.11 0.35 2.10 -1.78 0.66 117.51 118.31 1xag h ILE 53 Ca -0.03 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.87 1xag h ILE 53 Cb 0.25 0.87 -0.02 0.00 -1.09 0.00 0.00 36.82 36.84 1xag h ILE 53 CO 0.06 0.00 0.04 0.18 -1.08 0.00 0.00 178.15 177.35 1xag n LEU 54 N -3.96 2.53 -0.11 2.19 4.32 -0.63 -3.50 117.00 117.84 1xag n LEU 54 Ca 0.01 -1.29 -0.22 0.00 -0.02 0.00 0.00 56.01 54.50 1xag n LEU 54 Cb 0.29 -0.54 -0.07 0.00 -1.62 0.00 0.00 43.42 41.48 1xag n LEU 54 CO 0.29 0.43 -1.15 -1.20 -1.22 0.00 0.00 177.39 174.54 1xag n SER 55 N 0.17 1.74 -4.59 -1.43 7.64 0.22 -4.72 113.62 112.66 1xag n SER 55 Ca 0.06 0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.82 1xag n SER 55 Cb 0.52 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1xag n SER 55 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xag s TYR 56 N -2.53 1.84 -1.09 1.43 1.51 -1.23 -4.87 117.35 112.41 1xag s TYR 56 Ca -0.32 0.68 -0.10 0.00 -1.01 0.00 0.00 57.07 56.32 1xag s TYR 56 Cb 0.11 -4.14 0.27 0.00 -0.11 0.00 0.00 41.96 38.08 1xag s TYR 56 CO 0.41 -2.65 1.09 -1.21 -1.11 0.00 0.00 175.55 172.09 1xag s GLU 57 N 5.95 4.13 0.00 -0.62 0.41 -1.26 -3.19 118.70 124.12 1xag s GLU 57 Ca 0.74 -3.09 0.00 0.00 -0.41 0.00 0.00 54.97 52.21 1xag s GLU 57 Cb -0.19 -4.57 0.00 0.00 -1.78 0.00 0.00 34.13 27.59 1xag s GLU 57 CO 0.30 -1.28 0.11 0.27 -0.49 0.00 0.00 175.26 174.17 1xag n ASN 58 N 3.03 0.05 -4.18 -0.19 6.94 -1.26 -4.97 115.26 114.68 1xag n ASN 58 Ca 0.23 -1.01 -0.34 0.00 -0.02 0.00 0.00 54.58 53.45 1xag n ASN 58 Cb 0.40 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.67 1xag n ASN 58 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xag s VAL 59 N -0.01 2.53 0.16 3.53 1.01 -1.19 0.50 120.40 126.93 1xag s VAL 59 Ca 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.18 1xag s VAL 59 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1xag s VAL 59 CO 0.00 0.42 -0.18 -1.00 0.00 0.00 0.00 175.10 174.35 1xag s HIS 60 N 1.33 1.76 -0.13 5.22 3.76 0.46 -4.74 115.29 122.96 1xag s HIS 60 Ca 0.04 -0.48 -0.06 0.00 -0.15 0.00 0.00 55.06 54.41 1xag s HIS 60 Cb -0.14 -0.89 -0.04 0.00 1.11 0.00 0.00 32.58 32.62 1xag s HIS 60 CO -0.09 0.30 0.09 0.21 -0.85 0.00 0.00 174.74 174.40 1xag s LYS 61 N -2.75 3.51 -0.30 1.40 2.20 -1.26 0.60 119.74 123.12 1xag s LYS 61 Ca 0.14 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1xag s LYS 61 Cb -0.06 -3.11 0.09 0.00 -1.51 0.00 0.00 37.83 33.24 1xag s LYS 61 CO 0.06 0.61 0.07 0.08 -0.36 0.00 0.00 175.35 175.81 1xag s VAL 62 N -0.57 1.22 -0.15 4.02 1.01 0.12 -4.90 120.40 121.16 1xag s VAL 62 Ca 0.11 -1.55 -0.28 0.00 0.00 0.00 0.00 61.98 60.26 1xag s VAL 62 Cb -0.12 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1xag s VAL 62 CO 0.02 -0.59 0.94 -0.63 0.00 0.00 0.00 175.10 174.84 1xag s ILE 63 N 1.45 4.81 0.35 2.22 1.01 -1.26 -1.04 121.20 128.73 1xag s ILE 63 Ca 0.08 1.88 0.09 0.00 0.00 0.00 0.00 60.65 62.70 1xag s ILE 63 Cb -0.18 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 1xag s ILE 63 CO -0.19 -0.01 -0.04 0.27 0.00 0.00 0.00 174.94 174.97 1xag s ILE 64 N 2.21 2.40 0.64 2.92 -4.36 -0.70 -4.95 121.20 119.36 1xag s ILE 64 Ca 0.44 -2.09 -0.18 0.00 -0.26 0.00 0.00 60.65 58.56 1xag s ILE 64 Cb -0.17 -2.73 -0.02 0.00 1.25 0.00 0.00 42.46 40.79 1xag s ILE 64 CO 0.14 -0.19 1.19 -2.65 0.24 0.00 0.00 174.94 173.67 1xag n PRO 65 N -0.88 1.04 -3.02 0.37 -0.02 -1.26 -0.90 135.00 130.33 1xag n PRO 65 Ca -0.05 0.41 -0.35 0.00 -2.02 0.00 0.00 63.50 61.49 1xag n PRO 65 Cb 0.63 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1xag n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xag s ALA 66 N -1.43 3.32 0.00 3.55 0.00 -1.26 -4.10 121.76 121.84 1xag s ALA 66 Ca 0.81 0.23 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1xag s ALA 66 Cb -0.39 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1xag s ALA 66 CO 0.42 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.87 1xag n GLY 67 N 0.34 0.81 0.37 0.00 0.00 -1.26 -3.12 105.19 102.32 1xag n GLY 67 Ca 0.01 -0.83 0.14 0.00 0.00 0.00 0.00 46.02 45.33 1xag n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xag h GLU 68 N 0.00 0.00 -0.53 1.61 4.39 -1.94 -1.94 114.58 116.16 1xag h GLU 68 Ca 0.00 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.85 1xag h GLU 68 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1xag h GLU 68 CO 0.00 0.00 0.38 0.87 -1.16 0.00 0.00 179.01 179.10 1xag h LYS 69 N 0.00 0.02 0.00 2.33 1.57 -1.85 -1.99 116.57 116.66 1xag h LYS 69 Ca 0.09 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1xag h LYS 69 Cb 1.33 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1xag h LYS 69 CO -0.00 0.01 -0.34 0.00 -0.57 0.00 0.00 179.45 178.56 1xag h THR 70 N 0.02 0.24 -0.32 -0.16 1.03 -1.50 -3.40 112.91 108.83 1xag h THR 70 Ca 0.25 -1.36 -0.70 0.00 -0.01 0.00 0.00 66.41 64.60 1xag h THR 70 Cb 0.98 2.04 -0.03 0.00 -1.07 0.00 0.00 68.15 70.07 1xag h THR 70 CO -0.01 0.14 3.28 0.29 -0.01 0.00 0.00 175.52 179.21 1xag n LYS 71 N -3.06 3.64 -4.13 0.00 5.02 -0.75 -4.62 118.16 114.26 1xag n LYS 71 Ca 0.02 -2.63 -0.10 0.00 -2.02 0.00 0.00 58.31 53.58 1xag n LYS 71 Cb 0.60 -2.90 -0.10 0.00 -0.02 0.00 0.00 35.03 32.61 1xag n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xag s THR 72 N 1.70 0.55 0.12 -0.18 -4.23 -1.26 -1.20 115.64 111.13 1xag s THR 72 Ca 0.59 -1.72 -0.25 0.00 -1.18 0.00 0.00 61.69 59.13 1xag s THR 72 Cb 0.16 -1.41 -0.06 0.00 1.34 0.00 0.00 72.50 72.54 1xag s THR 72 CO -0.07 -0.80 1.66 -0.26 -0.54 0.00 0.00 174.62 174.61 1xag h PHE 73 N 3.34 -0.51 -0.64 3.99 0.04 -1.90 -1.30 116.94 119.95 1xag h PHE 73 Ca -0.35 0.02 0.13 0.00 2.80 0.00 0.00 57.97 60.57 1xag h PHE 73 Cb 1.17 0.23 -0.11 0.00 2.20 0.00 0.00 35.95 39.44 1xag h PHE 73 CO 0.59 -0.28 -0.01 0.93 -0.60 0.00 0.00 178.31 178.94 1xag h GLU 74 N -0.31 0.10 -0.17 1.51 3.07 -1.97 0.67 114.58 117.47 1xag h GLU 74 Ca 0.06 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.83 1xag h GLU 74 Cb 0.39 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1xag h GLU 74 CO -0.18 0.07 -0.27 0.37 -1.40 0.00 0.00 179.01 177.59 1xag h GLN 75 N 0.10 0.32 -0.07 2.33 5.75 -1.78 0.18 115.11 121.94 1xag h GLN 75 Ca 0.33 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 1xag h GLN 75 Cb 0.54 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 1xag h GLN 75 CO -0.56 0.57 -0.02 -0.92 -2.65 0.00 0.00 178.83 175.24 1xag h TYR 76 N 0.28 0.16 -0.21 3.99 5.03 0.65 -0.73 116.97 126.14 1xag h TYR 76 Ca 0.04 -0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 1xag h TYR 76 Cb 0.63 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.86 1xag h TYR 76 CO 0.01 0.48 -0.02 0.37 -1.32 0.00 0.00 178.16 177.68 1xag h GLN 77 N -0.22 0.39 0.20 1.82 4.15 0.28 0.19 115.11 121.93 1xag h GLN 77 Ca 0.02 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.31 1xag h GLN 77 Cb 0.44 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 1xag h GLN 77 CO 0.01 0.61 -0.38 1.49 -1.93 0.00 0.00 178.83 178.63 1xag h GLU 78 N 0.14 -0.64 -0.32 1.69 4.81 -0.99 -0.01 114.58 119.26 1xag h GLU 78 Ca 0.06 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1xag h GLU 78 Cb 0.45 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1xag h GLU 78 CO 0.02 -0.43 0.13 1.15 -0.73 0.00 0.00 179.01 179.15 1xag h THR 79 N -0.67 0.95 0.00 0.32 2.02 -1.08 -0.36 112.91 114.10 1xag h THR 79 Ca 0.01 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1xag h THR 79 Cb 0.66 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1xag h THR 79 CO -0.17 0.05 -0.06 -0.07 0.37 0.00 0.00 175.52 175.64 1xag h LEU 80 N 0.28 -0.17 -1.32 2.58 3.38 -0.72 -0.55 115.31 118.79 1xag h LEU 80 Ca 0.14 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xag h LEU 80 Cb 0.08 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1xag h LEU 80 CO -0.12 -0.09 0.42 -0.33 0.09 0.00 0.00 178.44 178.41 1xag h GLU 81 N -0.11 0.88 0.02 1.13 4.39 -0.86 -0.32 114.58 119.72 1xag h GLU 81 Ca 0.02 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1xag h GLU 81 Cb 0.13 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1xag h GLU 81 CO -0.06 0.60 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.46 1xag h TYR 82 N 0.90 -0.02 -0.18 4.33 5.03 -0.54 -2.36 116.97 124.13 1xag h TYR 82 Ca 0.24 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.55 1xag h TYR 82 Cb -0.08 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1xag h TYR 82 CO 0.00 0.20 0.10 0.82 -1.32 0.00 0.00 178.16 177.96 1xag h ILE 83 N -0.24 1.10 -0.71 1.81 2.04 -0.78 -2.72 117.51 118.01 1xag h ILE 83 Ca -0.00 -0.26 0.20 0.00 1.00 0.00 0.00 64.86 65.80 1xag h ILE 83 Cb 0.23 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1xag h ILE 83 CO 0.00 0.09 0.51 -0.07 0.00 0.00 0.00 178.15 178.68 1xag h LEU 84 N 0.19 0.03 0.00 1.44 3.38 -0.99 0.16 115.31 119.52 1xag h LEU 84 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xag h LEU 84 Cb 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xag h LEU 84 CO -0.01 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1xag n SER 85 N -4.34 0.00 -0.86 -0.43 3.41 -0.90 -1.07 113.62 109.43 1xag n SER 85 Ca 0.14 -0.02 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 1xag n SER 85 Cb 0.76 -0.20 0.28 0.00 -0.26 0.00 0.00 64.21 64.79 1xag n SER 85 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xag n HIS 86 N -1.20 0.40 -3.74 7.33 8.25 0.56 -4.95 115.22 121.88 1xag n HIS 86 Ca 0.06 -0.20 -0.30 0.00 -0.26 0.00 0.00 57.72 57.03 1xag n HIS 86 Cb 0.08 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.22 1xag n HIS 86 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1xag n HIS 87 N 0.91 -1.85 -1.37 4.41 -0.00 -0.23 -4.92 115.22 112.16 1xag n HIS 87 Ca 0.17 0.53 -0.30 0.00 -0.00 0.00 0.00 57.72 58.12 1xag n HIS 87 Cb 0.46 -3.57 0.09 0.00 -0.00 0.00 0.00 29.99 26.98 1xag n HIS 87 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1xag s VAL 88 N -3.58 3.25 0.39 1.59 -7.23 -1.26 -5.08 120.40 108.49 1xag s VAL 88 Ca 0.35 0.41 0.08 0.00 -1.81 0.00 0.00 61.98 61.00 1xag s VAL 88 Cb -0.12 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 1xag s VAL 88 CO 0.86 -0.53 0.25 -0.89 -0.31 0.00 0.00 175.10 174.48 1xag s THR 89 N -2.99 2.66 -0.13 5.32 2.01 -1.26 -5.01 115.64 116.23 1xag s THR 89 Ca 0.61 -1.55 0.30 0.00 0.31 0.00 0.00 61.69 61.36 1xag s THR 89 Cb -0.16 -3.01 0.34 0.00 0.01 0.00 0.00 72.50 69.68 1xag s THR 89 CO 0.56 -0.05 1.88 0.03 -0.69 0.00 0.00 174.62 176.35 1xag h ARG 90 N 1.30 0.00 -1.43 4.92 3.08 -1.95 -3.01 114.38 117.28 1xag h ARG 90 Ca -0.43 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.24 1xag h ARG 90 Cb 1.26 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.14 1xag h ARG 90 CO 0.63 0.00 0.50 -1.71 -1.07 0.00 0.00 179.97 178.32 1xag n ASN 91 N -2.78 6.68 -5.00 7.04 5.15 -1.26 -4.41 115.26 120.67 1xag n ASN 91 Ca 0.01 -3.19 -0.18 0.00 -0.60 0.00 0.00 54.58 50.62 1xag n ASN 91 Cb 0.29 -1.04 0.01 0.00 -0.53 0.00 0.00 39.78 38.50 1xag n ASN 91 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1xag s THR 92 N -2.72 3.08 -0.03 -0.44 2.01 -1.14 -0.76 115.64 115.63 1xag s THR 92 Ca 0.37 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 1xag s THR 92 Cb 0.29 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.77 1xag s THR 92 CO -0.01 -0.02 0.06 0.00 -0.69 0.00 0.00 174.62 173.96 1xag s ALA 93 N -2.41 -0.08 -0.33 7.40 0.00 -0.84 -0.86 121.76 124.64 1xag s ALA 93 Ca 0.54 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 1xag s ALA 93 Cb -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1xag s ALA 93 CO 0.34 -0.09 0.18 0.42 0.00 0.00 0.00 175.76 176.62 1xag s ILE 94 N 0.68 4.72 -0.34 0.00 -1.09 0.16 -1.05 121.20 124.29 1xag s ILE 94 Ca -0.05 -0.50 -0.12 0.00 -2.23 0.00 0.00 60.65 57.75 1xag s ILE 94 Cb -0.08 -3.47 -0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1xag s ILE 94 CO -0.02 -0.03 0.22 -0.63 -1.23 0.00 0.00 174.94 173.24 1xag s ILE 95 N 1.62 4.96 -0.55 2.92 1.01 -0.58 -1.09 121.20 129.48 1xag s ILE 95 Ca 0.04 -0.43 -0.22 0.00 0.00 0.00 0.00 60.65 60.04 1xag s ILE 95 Cb -0.18 -3.60 0.06 0.00 0.01 0.00 0.00 42.46 38.75 1xag s ILE 95 CO 0.07 -0.06 0.80 0.00 0.00 0.00 0.00 174.94 175.76 1xag s ALA 96 N 1.66 3.26 -0.50 9.38 0.00 -0.28 -1.44 121.76 133.83 1xag s ALA 96 Ca 0.05 -1.60 -0.14 0.00 0.00 0.00 0.00 51.96 50.28 1xag s ALA 96 Cb -0.18 -3.59 0.12 0.00 0.00 0.00 0.00 23.12 19.47 1xag s ALA 96 CO 0.09 -2.29 0.43 0.08 0.00 0.00 0.00 175.76 174.06 1xag s VAL 97 N 3.36 4.88 -4.93 0.00 1.01 -0.92 -0.31 120.40 123.49 1xag s VAL 97 Ca 0.22 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1xag s VAL 97 Cb -0.17 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1xag s VAL 97 CO 0.14 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 175.07 1xag n GLY 98 N 5.13 -0.49 2.35 4.51 0.00 -0.91 -3.32 105.19 112.46 1xag n GLY 98 Ca -0.12 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.67 1xag n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xag n GLY 99 N 0.00 -0.24 0.40 -0.02 0.00 -1.26 -1.76 105.19 102.31 1xag n GLY 99 Ca 0.00 -1.86 0.20 0.00 0.00 0.00 0.00 46.02 44.36 1xag n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xag h GLY 100 N -0.68 1.12 0.93 -0.02 0.00 -1.91 0.10 103.07 102.61 1xag h GLY 100 Ca -0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xag h GLY 100 CO 0.20 -0.07 0.06 0.00 0.00 0.00 0.00 176.54 176.73 1xag h ALA 101 N 1.61 0.15 -0.43 3.60 0.00 -1.92 0.39 119.26 122.66 1xag h ALA 101 Ca 0.54 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1xag h ALA 101 Cb 1.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1xag h ALA 101 CO -0.25 -0.31 0.13 1.15 0.00 0.00 0.00 179.25 179.97 1xag h THR 102 N 0.09 1.22 -0.18 0.00 2.02 -1.40 -2.13 112.91 112.53 1xag h THR 102 Ca 0.04 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1xag h THR 102 Cb 0.08 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1xag h THR 102 CO -0.01 0.26 0.11 1.23 0.37 0.00 0.00 175.52 177.48 1xag h GLY 103 N 0.55 0.26 0.70 2.16 0.00 -0.64 0.57 103.07 106.67 1xag h GLY 103 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1xag h GLY 103 CO -0.00 0.10 -0.28 -0.55 0.00 0.00 0.00 176.54 175.81 1xag h ASP 104 N 0.21 -0.75 0.39 0.19 3.45 -0.12 0.14 116.42 119.93 1xag h ASP 104 Ca 0.06 0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.57 1xag h ASP 104 Cb 0.02 0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1xag h ASP 104 CO -0.01 -0.41 -0.19 0.15 -1.57 0.00 0.00 179.24 177.21 1xag h PHE 105 N -0.60 -0.50 -0.24 4.55 3.57 -1.29 -1.75 116.94 120.68 1xag h PHE 105 Ca -0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1xag h PHE 105 Cb 0.55 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1xag h PHE 105 CO -0.17 -0.31 0.05 0.00 -2.23 0.00 0.00 178.31 175.65 1xag h ALA 106 N 0.08 1.65 -0.43 2.41 0.00 -0.88 -2.12 119.26 119.97 1xag h ALA 106 Ca -0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1xag h ALA 106 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1xag h ALA 106 CO 0.08 0.27 0.08 0.78 0.00 0.00 0.00 179.25 180.46 1xag h GLY 107 N 0.55 0.75 1.51 0.00 0.00 -0.46 -0.39 103.07 105.04 1xag h GLY 107 Ca 0.08 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1xag h GLY 107 CO -0.00 0.46 0.12 -2.75 0.00 0.00 0.00 176.54 174.36 1xag h PHE 108 N 0.56 0.64 -0.24 5.60 3.57 -0.87 0.07 116.94 126.26 1xag h PHE 108 Ca 0.13 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1xag h PHE 108 Cb 0.36 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1xag h PHE 108 CO 0.02 0.54 -0.00 0.28 -2.23 0.00 0.00 178.31 176.92 1xag h VAL 109 N 0.62 1.26 -0.90 1.41 2.07 -0.93 -2.20 116.25 117.58 1xag h VAL 109 Ca 0.14 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1xag h VAL 109 Cb 0.21 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1xag h VAL 109 CO -0.01 0.29 0.59 0.00 0.02 0.00 0.00 177.57 178.46 1xag h ALA 110 N 0.81 1.15 0.00 1.67 0.00 -0.45 -0.96 119.26 121.47 1xag h ALA 110 Ca 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1xag h ALA 110 Cb 0.42 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xag h ALA 110 CO 0.01 0.52 -0.27 0.00 0.00 0.00 0.00 179.25 179.51 1xag h ALA 111 N 1.34 1.31 0.00 0.00 0.00 -0.85 -0.34 119.26 120.72 1xag h ALA 111 Ca 0.33 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1xag h ALA 111 Cb -0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1xag h ALA 111 CO -0.08 0.34 -2.05 0.25 0.00 0.00 0.00 179.25 177.71 1xag n THR 112 N -3.87 0.89 -1.66 0.00 -2.24 -0.84 -3.17 114.28 103.39 1xag n THR 112 Ca -0.02 -0.63 -0.47 0.00 -2.27 0.00 0.00 64.05 60.66 1xag n THR 112 Cb 0.35 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.10 1xag n THR 112 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1xag n LEU 113 N -2.50 3.52 -3.85 3.22 7.94 -0.40 -0.88 117.00 124.04 1xag n LEU 113 Ca -0.22 0.89 -0.30 0.00 -1.11 0.00 0.00 56.01 55.27 1xag n LEU 113 Cb 0.92 -1.40 -0.00 0.00 0.53 0.00 0.00 43.42 43.46 1xag n LEU 113 CO 0.35 -0.07 0.01 0.18 -1.11 0.00 0.00 177.39 176.75 1xag n LEU 114 N 7.24 -1.89 0.00 -1.96 4.77 -1.26 0.59 117.00 124.50 1xag n LEU 114 Ca 0.23 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1xag n LEU 114 Cb 0.32 -2.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 1xag n LEU 114 CO 0.72 0.30 0.00 0.54 -1.33 0.00 0.00 177.39 177.62 1xag n ARG 115 N -4.25 -1.28 0.00 3.23 1.74 -0.06 -4.77 116.66 111.27 1xag n ARG 115 Ca 0.04 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1xag n ARG 115 Cb 0.52 -4.45 0.00 0.00 -1.02 0.00 0.00 32.46 27.50 1xag n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xag n GLY 116 N -0.27 3.65 2.57 -0.13 0.00 0.20 -4.75 105.19 106.45 1xag n GLY 116 Ca 0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 1xag n GLY 116 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xag n VAL 117 N 0.00 0.00 -2.45 1.61 0.24 -0.14 -4.95 118.33 112.65 1xag n VAL 117 Ca 0.00 -1.80 -0.38 0.00 -2.04 0.00 0.00 64.34 60.12 1xag n VAL 117 Cb 0.00 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 1xag n VAL 117 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1xag s HIS 118 N -2.64 3.30 -0.12 6.34 3.76 -0.04 -4.75 115.29 121.13 1xag s HIS 118 Ca 0.13 1.63 -0.01 0.00 -0.15 0.00 0.00 55.06 56.66 1xag s HIS 118 Cb 0.01 -3.25 0.03 0.00 1.11 0.00 0.00 32.58 30.48 1xag s HIS 118 CO 0.09 -0.81 -0.03 0.12 -0.85 0.00 0.00 174.74 173.27 1xag s PHE 119 N -1.44 1.20 -0.22 1.40 5.99 -1.26 0.41 117.98 124.06 1xag s PHE 119 Ca 0.54 -0.65 -0.05 0.00 0.00 0.00 0.00 56.93 56.76 1xag s PHE 119 Cb -0.27 -1.08 -0.02 0.00 0.00 0.00 0.00 43.02 41.64 1xag s PHE 119 CO 0.35 -0.49 0.00 0.42 -0.00 0.00 0.00 175.22 175.50 1xag s ILE 120 N 1.80 3.85 -0.27 3.12 -1.09 -0.25 0.20 121.20 128.55 1xag s ILE 120 Ca 0.03 -0.34 -0.23 0.00 -2.23 0.00 0.00 60.65 57.89 1xag s ILE 120 Cb -0.14 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.97 1xag s ILE 120 CO -0.07 0.40 0.74 -1.10 -1.23 0.00 0.00 174.94 173.68 1xag s GLN 121 N 1.34 4.06 -0.72 2.79 -1.52 -0.17 -1.12 119.66 124.31 1xag s GLN 121 Ca 0.04 0.65 0.04 0.00 -1.95 0.00 0.00 55.36 54.14 1xag s GLN 121 Cb -0.15 -3.68 0.21 0.00 -0.22 0.00 0.00 33.01 29.17 1xag s GLN 121 CO 0.01 -0.55 0.67 0.28 -0.25 0.00 0.00 175.29 175.44 1xag n VAL 122 N 5.36 2.25 -1.70 1.09 0.31 0.58 0.25 118.33 126.46 1xag n VAL 122 Ca 0.03 -5.09 -0.44 0.00 -0.01 0.00 0.00 64.34 58.83 1xag n VAL 122 Cb 0.48 -2.17 -0.02 0.00 -0.91 0.00 0.00 33.84 31.22 1xag n VAL 122 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xag n PRO 123 N 1.52 2.32 0.00 5.55 -0.02 -1.22 -2.13 135.00 141.02 1xag n PRO 123 Ca 0.24 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1xag n PRO 123 Cb 0.37 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1xag n PRO 123 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xag n THR 124 N 2.17 0.38 -4.40 3.45 -2.24 -0.72 -4.34 114.28 108.57 1xag n THR 124 Ca 0.11 -0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 61.23 1xag n THR 124 Cb 0.33 0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 1xag n THR 124 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xag s THR 125 N -0.38 1.77 -0.03 4.28 2.01 -1.26 -4.47 115.64 117.56 1xag s THR 125 Ca 0.00 -2.19 -0.25 0.00 0.31 0.00 0.00 61.69 59.57 1xag s THR 125 Cb 0.00 -2.28 -0.19 0.00 0.01 0.00 0.00 72.50 70.04 1xag s THR 125 CO 0.00 -0.42 1.13 0.40 -0.69 0.00 0.00 174.62 175.04 1xag h ILE 126 N 2.38 1.18 -0.96 1.82 2.04 -1.91 -3.14 117.51 118.92 1xag h ILE 126 Ca -0.39 -1.13 0.21 0.00 1.00 0.00 0.00 64.86 64.55 1xag h ILE 126 Cb 1.23 1.88 -0.08 0.00 -0.74 0.00 0.00 36.82 39.11 1xag h ILE 126 CO 0.65 0.27 0.62 0.25 0.00 0.00 0.00 178.15 179.94 1xag h LEU 127 N -0.65 0.51 0.00 1.44 6.46 -1.87 0.94 115.31 122.14 1xag h LEU 127 Ca -0.01 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1xag h LEU 127 Cb 0.53 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1xag h LEU 127 CO 0.02 0.18 0.00 0.00 -0.62 0.00 0.00 178.44 178.02 1xag n ALA 128 N -2.46 1.62 0.18 1.25 0.00 -1.19 -1.11 120.51 118.80 1xag n ALA 128 Ca 0.22 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.67 1xag n ALA 128 Cb 0.71 -1.09 0.29 0.00 0.00 0.00 0.00 19.45 19.36 1xag n ALA 128 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xag h HIS 129 N 0.00 0.00 0.00 0.00 2.07 -0.93 -2.07 115.15 114.22 1xag h HIS 129 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 1xag h HIS 129 Cb 0.01 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.97 1xag h HIS 129 CO 0.00 0.42 -0.86 0.22 -3.07 0.00 0.00 177.93 174.64 1xag h ASP 130 N 0.00 0.00 0.10 3.10 3.58 -1.32 -3.41 116.42 118.48 1xag h ASP 130 Ca -0.00 -0.50 -0.04 0.00 0.42 0.00 0.00 57.03 56.90 1xag h ASP 130 Cb 0.95 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1xag h ASP 130 CO 0.05 1.25 -0.15 0.77 -2.88 0.00 0.00 179.24 178.28 1xag h SER 131 N -1.00 0.10 0.22 2.28 4.64 -1.59 -2.78 113.55 115.42 1xag h SER 131 Ca -0.22 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1xag h SER 131 Cb 1.07 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1xag h SER 131 CO -0.13 0.26 0.00 -1.54 -0.87 0.00 0.00 176.83 174.55 1xag n SER 132 N -4.31 0.00 -4.28 4.97 3.41 -0.78 -4.72 113.62 107.91 1xag n SER 132 Ca -0.02 -0.52 -0.30 0.00 -0.26 0.00 0.00 58.87 57.78 1xag n SER 132 Cb 0.25 -0.13 -0.16 0.00 -0.26 0.00 0.00 64.21 63.91 1xag n SER 132 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xag s VAL 133 N -2.25 1.93 0.00 -3.33 1.01 -1.05 -4.76 120.40 111.96 1xag s VAL 133 Ca 0.34 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1xag s VAL 133 Cb 0.18 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1xag s VAL 133 CO 0.35 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.61 1xag n GLY 134 N 2.50 1.49 3.80 4.51 0.00 -1.26 -4.70 105.19 111.53 1xag n GLY 134 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xag n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xag n GLY 135 N -0.58 1.38 3.69 -0.02 0.00 -1.26 -4.81 105.19 103.60 1xag n GLY 135 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xag n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xag s LYS 136 N -0.11 4.29 0.09 1.61 1.02 -1.26 -0.16 119.74 125.22 1xag s LYS 136 Ca 0.00 1.99 -0.03 0.00 0.02 0.00 0.00 55.97 57.95 1xag s LYS 136 Cb 0.00 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1xag s LYS 136 CO 0.00 -0.56 0.06 0.14 -0.92 0.00 0.00 175.35 174.07 1xag s VAL 137 N 2.24 0.16 -5.00 3.17 -7.23 -0.21 -4.84 120.40 108.69 1xag s VAL 137 Ca 0.64 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1xag s VAL 137 Cb -0.32 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1xag s VAL 137 CO 0.27 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1xag n GLY 138 N -0.01 -1.39 3.36 2.32 0.00 -0.98 -0.95 105.19 107.54 1xag n GLY 138 Ca -0.11 -1.30 -0.19 0.00 0.00 0.00 0.00 46.02 44.42 1xag n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xag s ILE 139 N -2.77 0.57 0.56 -0.61 -4.36 0.29 -3.55 121.20 111.33 1xag s ILE 139 Ca 0.00 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.37 1xag s ILE 139 Cb 0.00 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 41.15 1xag s ILE 139 CO 0.00 0.00 0.82 0.20 0.24 0.00 0.00 174.94 176.20 1xag s ASN 140 N -3.39 5.39 0.24 4.36 0.01 -0.34 -2.65 114.94 118.57 1xag s ASN 140 Ca 0.36 0.30 0.04 0.00 -0.71 0.00 0.00 52.86 52.85 1xag s ASN 140 Cb 0.06 -1.25 -0.05 0.00 0.41 0.00 0.00 41.25 40.42 1xag s ASN 140 CO 0.15 -1.10 -0.02 -0.55 -1.51 0.00 0.00 177.10 174.07 1xag s SER 141 N -4.37 2.09 0.59 -1.22 0.15 -0.32 -4.63 113.70 106.00 1xag s SER 141 Ca 0.55 -1.20 0.32 0.00 0.70 0.00 0.00 55.95 56.31 1xag s SER 141 Cb -0.10 -0.04 1.88 0.00 -1.71 0.00 0.00 66.02 66.04 1xag s SER 141 CO 0.41 -0.46 2.25 0.11 1.20 0.00 0.00 173.24 176.75 1xag h LYS 142 N 2.43 0.00 -0.01 5.44 1.79 -2.00 -1.18 116.57 123.04 1xag h LYS 142 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1xag h LYS 142 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1xag h LYS 142 CO 0.65 0.02 -0.14 1.04 -1.08 0.00 0.00 179.45 179.94 1xag n GLN 143 N -3.69 1.17 0.00 3.15 1.13 -1.26 -5.03 117.38 112.85 1xag n GLN 143 Ca -0.03 -0.66 0.00 0.00 -1.94 0.00 0.00 57.00 54.37 1xag n GLN 143 Cb 0.10 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1xag n GLN 143 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xag n GLY 144 N 1.26 1.50 3.77 1.08 0.00 -0.45 -4.75 105.19 107.60 1xag n GLY 144 Ca 0.15 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1xag n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xag s LYS 145 N -1.68 4.27 -1.44 1.61 -0.14 -1.26 -1.18 119.74 119.92 1xag s LYS 145 Ca 0.00 2.34 -0.09 0.00 -1.36 0.00 0.00 55.97 56.86 1xag s LYS 145 Cb 0.00 -3.05 0.01 0.00 -1.68 0.00 0.00 37.83 33.11 1xag s LYS 145 CO 0.00 -0.34 0.24 0.09 -0.76 0.00 0.00 175.35 174.59 1xag n ASN 146 N 1.05 -0.60 0.04 2.83 3.02 -1.23 -4.87 115.26 115.49 1xag n ASN 146 Ca 0.02 -1.24 0.12 0.00 -0.03 0.00 0.00 54.58 53.45 1xag n ASN 146 Cb 0.41 -1.88 0.08 0.00 -0.61 0.00 0.00 39.78 37.78 1xag n ASN 146 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xag n LEU 147 N -4.66 0.65 -4.20 3.41 4.32 -1.08 -4.81 117.00 110.63 1xag n LEU 147 Ca -0.27 0.10 -0.29 0.00 -0.02 0.00 0.00 56.01 55.52 1xag n LEU 147 Cb 0.66 -0.13 -0.16 0.00 -1.62 0.00 0.00 43.42 42.17 1xag n LEU 147 CO 0.81 -0.00 -0.54 -0.63 -1.22 0.00 0.00 177.39 175.80 1xag s ILE 148 N -3.19 1.78 -1.50 -0.08 1.09 -1.17 -5.03 121.20 113.11 1xag s ILE 148 Ca 0.05 -0.90 0.00 0.00 -1.10 0.00 0.00 60.65 58.69 1xag s ILE 148 Cb 0.14 -1.52 0.00 0.00 -1.06 0.00 0.00 42.46 40.02 1xag s ILE 148 CO 0.77 0.50 0.00 0.61 -0.10 0.00 0.00 174.94 176.72 1xag n GLY 149 N 3.12 -0.73 3.63 6.18 0.00 -1.26 -0.55 105.19 115.58 1xag n GLY 149 Ca -0.18 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1xag n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xag s ALA 150 N -1.00 -2.16 -0.39 4.61 0.00 -0.12 -4.94 121.76 117.75 1xag s ALA 150 Ca 0.00 0.75 -0.10 0.00 0.00 0.00 0.00 51.96 52.61 1xag s ALA 150 Cb 0.00 0.33 0.05 0.00 0.00 0.00 0.00 23.12 23.50 1xag s ALA 150 CO 0.00 -1.00 0.22 -0.06 0.00 0.00 0.00 175.76 174.93 1xag s PHE 151 N -2.51 3.28 -0.16 0.00 0.40 -1.26 -1.04 117.98 116.68 1xag s PHE 151 Ca 0.13 -1.21 -0.04 0.00 -0.60 0.00 0.00 56.93 55.21 1xag s PHE 151 Cb 0.04 -2.64 0.06 0.00 0.51 0.00 0.00 43.02 40.98 1xag s PHE 151 CO -0.03 -0.74 0.07 -0.47 0.70 0.00 0.00 175.22 174.75 1xag s TYR 152 N 1.50 0.42 0.13 0.36 6.14 0.77 -4.98 117.35 121.69 1xag s TYR 152 Ca 0.02 -0.41 -0.31 0.00 0.64 0.00 0.00 57.07 57.01 1xag s TYR 152 Cb -0.21 -0.77 -0.09 0.00 0.42 0.00 0.00 41.96 41.31 1xag s TYR 152 CO 0.05 -0.51 1.52 1.03 0.64 0.00 0.00 175.55 178.28 1xag s ARG 153 N 2.06 4.25 0.84 4.97 0.52 -1.26 -4.38 118.95 125.95 1xag s ARG 153 Ca 0.02 2.26 -0.11 0.00 -0.52 0.00 0.00 55.73 57.37 1xag s ARG 153 Cb -0.16 -3.24 0.10 0.00 0.52 0.00 0.00 34.95 32.17 1xag s ARG 153 CO -0.08 -0.57 1.09 -1.25 0.02 0.00 0.00 175.30 174.52 1xag s PRO 154 N 1.32 1.69 0.13 3.54 0.04 -1.26 -4.83 135.00 135.63 1xag s PRO 154 Ca 0.69 0.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.42 1xag s PRO 154 Cb -0.41 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1xag s PRO 154 CO 0.31 -1.92 1.31 1.15 0.04 0.00 0.00 177.00 177.89 1xag h THR 155 N -1.31 1.37 -3.07 1.26 2.02 0.19 -3.43 112.91 109.94 1xag h THR 155 Ca -0.48 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 64.34 1xag h THR 155 Cb 1.27 2.34 -0.11 0.00 -1.74 0.00 0.00 68.15 69.91 1xag h THR 155 CO 0.57 0.71 0.16 0.00 0.37 0.00 0.00 175.52 177.32 1xag s ALA 156 N -3.36 -1.42 -0.22 6.16 0.00 -1.21 -4.25 121.76 117.46 1xag s ALA 156 Ca -0.07 0.28 -0.00 0.00 0.00 0.00 0.00 51.96 52.17 1xag s ALA 156 Cb 0.09 0.86 0.06 0.00 0.00 0.00 0.00 23.12 24.13 1xag s ALA 156 CO 0.87 -0.79 -0.03 0.08 0.00 0.00 0.00 175.76 175.89 1xag s VAL 157 N -3.79 1.28 -0.41 0.00 1.01 -0.34 -1.00 120.40 117.16 1xag s VAL 157 Ca 0.03 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 1xag s VAL 157 Cb -0.01 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.84 1xag s VAL 157 CO -0.10 -0.10 0.25 -0.63 0.00 0.00 0.00 175.10 174.52 1xag s ILE 158 N 1.51 4.31 -0.62 2.22 1.01 0.14 -0.99 121.20 128.79 1xag s ILE 158 Ca -0.04 -1.27 -0.08 0.00 0.00 0.00 0.00 60.65 59.25 1xag s ILE 158 Cb -0.18 -3.59 0.16 0.00 0.01 0.00 0.00 42.46 38.86 1xag s ILE 158 CO -0.07 -0.45 0.48 -0.47 0.00 0.00 0.00 174.94 174.44 1xag s TYR 159 N 1.46 3.51 -0.75 3.97 6.04 0.13 -3.42 117.35 128.28 1xag s TYR 159 Ca 0.03 -2.23 -0.19 0.00 0.04 0.00 0.00 57.07 54.71 1xag s TYR 159 Cb -0.22 -3.46 0.12 0.00 -1.04 0.00 0.00 41.96 37.36 1xag s TYR 159 CO 0.03 -0.94 0.90 0.34 -1.54 0.00 0.00 175.55 174.35 1xag s ASP 160 N 1.78 6.41 0.59 4.32 3.68 -1.26 -1.96 116.67 130.22 1xag s ASP 160 Ca 0.13 -1.73 0.16 0.00 2.13 0.00 0.00 52.55 53.24 1xag s ASP 160 Cb -0.20 -2.34 0.86 0.00 -1.45 0.00 0.00 42.92 39.79 1xag s ASP 160 CO -0.04 -1.09 1.45 -0.07 0.13 0.00 0.00 175.17 175.55 1xag h LEU 161 N 10.09 0.00 -1.83 -1.34 3.38 -1.82 -0.59 115.31 123.20 1xag h LEU 161 Ca -0.09 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1xag h LEU 161 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1xag h LEU 161 CO 1.07 0.00 0.17 0.44 0.09 0.00 0.00 178.44 180.21 1xag h ASP 162 N 0.00 0.19 -0.43 -0.43 3.32 -1.91 -1.55 116.42 115.61 1xag h ASP 162 Ca 0.00 -0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.17 1xag h ASP 162 Cb 1.13 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1xag h ASP 162 CO 0.00 0.13 0.34 -0.26 -1.72 0.00 0.00 179.24 177.73 1xag h PHE 163 N 0.22 0.00 -0.12 4.55 0.04 -1.44 -2.60 116.94 117.59 1xag h PHE 163 Ca 0.11 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.78 1xag h PHE 163 Cb 0.15 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1xag h PHE 163 CO -0.00 0.00 -0.37 -0.07 -0.60 0.00 0.00 178.31 177.27 1xag h LEU 164 N 0.00 0.26 -1.74 1.54 3.38 -1.50 -3.21 115.31 114.04 1xag h LEU 164 Ca 0.20 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xag h LEU 164 Cb 0.88 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1xag h LEU 164 CO -0.00 0.61 0.36 0.11 0.09 0.00 0.00 178.44 179.61 1xag h LYS 165 N 0.21 0.00 -0.02 1.13 1.57 -1.62 -0.97 116.57 116.87 1xag h LYS 165 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xag h LYS 165 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1xag h LYS 165 CO 0.06 0.00 -0.30 0.25 -0.57 0.00 0.00 179.45 178.89 1xag n THR 166 N -2.75 0.00 -2.14 -0.16 -2.24 -1.21 -4.97 114.28 100.81 1xag n THR 166 Ca -0.02 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 1xag n THR 166 Cb 0.40 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.95 1xag n THR 166 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xag s LEU 167 N -2.30 4.36 0.97 3.22 1.43 -0.37 -5.02 118.68 120.97 1xag s LEU 167 Ca 0.22 2.32 -0.12 0.00 -1.03 0.00 0.00 54.13 55.51 1xag s LEU 167 Cb 0.19 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 43.00 1xag s LEU 167 CO 0.47 -0.70 1.11 -2.84 0.23 0.00 0.00 176.35 174.62 1xag s PRO 168 N 1.53 0.69 0.24 1.29 0.02 -1.26 -4.79 135.00 132.71 1xag s PRO 168 Ca 0.66 0.39 -0.05 0.00 0.02 0.00 0.00 61.00 62.02 1xag s PRO 168 Cb -0.36 -1.78 0.24 0.00 0.02 0.00 0.00 34.50 32.62 1xag s PRO 168 CO 0.30 -2.53 1.77 0.35 -0.33 0.00 0.00 177.00 176.56 1xag h PHE 169 N -1.74 1.06 -0.91 6.54 -0.00 -1.96 -2.09 116.94 117.85 1xag h PHE 169 Ca -0.53 -0.11 0.20 0.00 -0.00 0.00 0.00 57.97 57.53 1xag h PHE 169 Cb 1.33 -0.31 -0.11 0.00 -0.00 0.00 0.00 35.95 36.86 1xag h PHE 169 CO 0.28 0.86 0.46 -0.22 -0.00 0.00 0.00 178.31 179.69 1xag h LYS 170 N 0.98 0.51 -0.00 1.11 3.64 -2.00 0.21 116.57 121.03 1xag h LYS 170 Ca 0.21 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.36 1xag h LYS 170 Cb 0.31 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1xag h LYS 170 CO -0.00 0.34 -0.87 1.96 -2.27 0.00 0.00 179.45 178.60 1xag h GLN 171 N 0.53 0.26 -0.50 1.90 1.08 -1.82 -1.64 115.11 114.92 1xag h GLN 171 Ca 0.55 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 57.42 1xag h GLN 171 Cb 0.96 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 1xag h GLN 171 CO -0.46 0.98 0.12 0.82 -0.95 0.00 0.00 178.83 179.34 1xag h ILE 172 N 0.15 1.21 0.05 2.54 2.04 -0.17 0.34 117.51 123.68 1xag h ILE 172 Ca -0.05 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1xag h ILE 172 Cb 1.50 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1xag h ILE 172 CO 0.14 0.29 -0.02 -0.07 0.00 0.00 0.00 178.15 178.48 1xag h LEU 173 N 0.73 -0.06 -0.20 1.44 3.38 -0.61 -1.39 115.31 118.60 1xag h LEU 173 Ca 0.16 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.72 1xag h LEU 173 Cb 0.28 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1xag h LEU 173 CO -0.00 0.45 -0.13 -1.28 0.09 0.00 0.00 178.44 177.57 1xag h SER 174 N -0.59 -0.41 0.88 -0.43 0.87 -1.02 -2.31 113.55 110.54 1xag h SER 174 Ca -0.01 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1xag h SER 174 Cb 0.52 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1xag h SER 174 CO 0.01 -0.16 -0.11 1.23 -0.53 0.00 0.00 176.83 177.27 1xag h GLY 175 N -0.12 0.00 2.00 5.77 0.00 -0.36 -2.88 103.07 107.48 1xag h GLY 175 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1xag h GLY 175 CO -0.28 0.00 -0.34 -1.82 0.00 0.00 0.00 176.54 174.10 1xag h TYR 176 N 0.00 0.00 -0.72 5.60 5.03 -0.68 -3.09 116.97 123.11 1xag h TYR 176 Ca -0.00 0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.41 1xag h TYR 176 Cb 0.58 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.78 1xag h TYR 176 CO 0.00 0.34 0.36 0.00 -1.32 0.00 0.00 178.16 177.54 1xag h ALA 177 N 1.66 1.00 -0.31 1.82 0.00 -1.29 0.14 119.26 122.27 1xag h ALA 177 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1xag h ALA 177 Cb 1.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1xag h ALA 177 CO 0.04 -0.05 -0.07 0.93 0.00 0.00 0.00 179.25 180.10 1xag h GLU 178 N 0.60 0.60 0.13 0.00 4.39 -1.71 0.44 114.58 119.04 1xag h GLU 178 Ca 0.36 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1xag h GLU 178 Cb 0.39 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1xag h GLU 178 CO -0.28 0.79 -0.16 0.28 -1.16 0.00 0.00 179.01 178.48 1xag h VAL 179 N 0.38 0.64 -0.55 3.13 2.07 -1.40 -0.86 116.25 119.65 1xag h VAL 179 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1xag h VAL 179 Cb 0.56 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1xag h VAL 179 CO 0.03 0.00 0.35 0.22 0.02 0.00 0.00 177.57 178.19 1xag h TYR 180 N -0.33 0.66 -0.96 1.57 5.03 -0.72 -1.76 116.97 120.46 1xag h TYR 180 Ca 0.01 0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.46 1xag h TYR 180 Cb 0.33 -0.22 -0.08 0.00 1.55 0.00 0.00 36.73 38.32 1xag h TYR 180 CO -0.15 0.40 0.61 -0.22 -1.32 0.00 0.00 178.16 177.47 1xag h LYS 181 N 0.71 0.87 0.00 1.82 3.64 -0.43 0.25 116.57 123.43 1xag h LYS 181 Ca 0.21 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1xag h LYS 181 Cb -0.03 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1xag h LYS 181 CO -0.07 0.58 -0.33 0.45 -2.27 0.00 0.00 179.45 177.81 1xag h HIS 182 N 0.90 0.00 -0.09 1.91 3.86 -0.32 -2.27 115.15 119.14 1xag h HIS 182 Ca 0.47 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.62 1xag h HIS 182 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1xag h HIS 182 CO -0.00 0.33 -0.17 0.00 0.86 0.00 0.00 177.93 178.94 1xag h ALA 183 N 1.67 0.15 -0.77 2.45 0.00 0.02 -2.43 119.26 120.34 1xag h ALA 183 Ca -0.00 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.65 1xag h ALA 183 Cb 0.79 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1xag h ALA 183 CO 0.04 0.07 0.40 -0.07 0.00 0.00 0.00 179.25 179.69 1xag h LEU 184 N -0.17 0.54 -1.00 0.00 3.38 -0.82 0.27 115.31 117.51 1xag h LEU 184 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xag h LEU 184 Cb 0.75 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1xag h LEU 184 CO 0.04 0.30 0.00 -0.07 0.09 0.00 0.00 178.44 178.80 1xag h LEU 185 N 0.67 0.00 -2.00 1.67 4.07 -1.35 -2.52 115.31 115.84 1xag h LEU 185 Ca 0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.34 1xag h LEU 185 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1xag h LEU 185 CO -0.27 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 177.68 1xag n ASN 186 N -2.56 2.95 0.00 -0.43 4.13 0.93 -4.90 115.26 115.38 1xag n ASN 186 Ca 0.02 -1.95 0.00 0.00 1.68 0.00 0.00 54.58 54.32 1xag n ASN 186 Cb 0.26 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1xag n ASN 186 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xag n GLY 187 N 1.39 0.58 0.25 7.41 0.00 -0.95 -4.39 105.19 109.48 1xag n GLY 187 Ca 0.19 -1.81 0.01 0.00 0.00 0.00 0.00 46.02 44.41 1xag n GLY 187 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xag h GLU 188 N 0.00 0.06 0.00 1.61 4.81 -1.86 0.17 114.58 119.37 1xag h GLU 188 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1xag h GLU 188 Cb 0.00 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1xag h GLU 188 CO 0.00 0.04 -0.17 1.03 -0.73 0.00 0.00 179.01 179.18 1xag h SER 189 N 0.06 0.00 0.20 1.04 0.87 -1.95 -1.66 113.55 112.11 1xag h SER 189 Ca 0.34 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.55 1xag h SER 189 Cb 0.55 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1xag h SER 189 CO -0.61 0.17 -1.68 0.00 -0.53 0.00 0.00 176.83 174.17 1xag h ALA 190 N 1.83 0.09 -0.77 6.23 0.00 -1.34 -2.70 119.26 122.60 1xag h ALA 190 Ca -0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 54.91 53.80 1xag h ALA 190 Cb 0.39 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1xag h ALA 190 CO 0.02 0.94 0.37 1.15 0.00 0.00 0.00 179.25 181.73 1xag h THR 191 N 0.10 1.24 0.00 0.00 2.02 -0.44 -2.40 112.91 113.43 1xag h THR 191 Ca -0.33 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.11 1xag h THR 191 Cb 2.10 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1xag h THR 191 CO 0.19 0.29 -0.59 1.56 0.37 0.00 0.00 175.52 177.35 1xag h GLN 192 N 1.09 0.00 0.00 6.66 4.20 -1.44 -2.51 115.11 123.11 1xag h GLN 192 Ca 0.27 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 1xag h GLN 192 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1xag h GLN 192 CO -0.03 0.22 -0.24 0.22 -0.67 0.00 0.00 178.83 178.33 1xag h ASP 193 N 0.00 0.00 0.24 1.46 3.58 -1.09 -1.75 116.42 118.85 1xag h ASP 193 Ca -0.03 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.20 1xag h ASP 193 Cb 1.23 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.24 1xag h ASP 193 CO 0.03 0.24 -1.97 0.00 -2.88 0.00 0.00 179.24 174.66 1xag n ILE 194 N -3.61 1.03 0.09 2.25 3.06 -0.98 -3.74 119.36 117.46 1xag n ILE 194 Ca -0.01 -0.73 -0.06 0.00 -2.50 0.00 0.00 62.75 59.46 1xag n ILE 194 Cb 0.37 -0.48 0.07 0.00 0.54 0.00 0.00 39.64 40.15 1xag n ILE 194 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1xag h GLU 195 N 0.00 0.15 0.00 9.51 5.08 -1.31 -1.67 114.58 126.34 1xag h GLU 195 Ca -0.30 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1xag h GLU 195 Cb 1.76 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.04 1xag h GLU 195 CO 0.03 0.81 0.00 1.04 -1.00 0.00 0.00 179.01 179.89 1xag n GLN 196 N -3.75 0.15 -0.01 2.33 6.02 -0.67 -3.29 117.38 118.16 1xag n GLN 196 Ca -0.02 0.19 -0.01 0.00 -0.01 0.00 0.00 57.00 57.15 1xag n GLN 196 Cb 0.70 -1.70 -0.00 0.00 1.02 0.00 0.00 30.24 30.26 1xag n GLN 196 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1xag n HIS 197 N -1.98 0.07 -2.41 1.08 -0.00 -1.08 -4.56 115.22 106.34 1xag n HIS 197 Ca 0.05 0.03 -0.43 0.00 0.46 0.00 0.00 57.72 57.84 1xag n HIS 197 Cb 0.35 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 30.01 1xag n HIS 197 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1xag n PHE 198 N -2.65 4.04 0.00 1.57 3.72 -0.65 -4.71 117.46 118.79 1xag n PHE 198 Ca -0.01 -2.99 -0.18 0.00 -0.05 0.00 0.00 57.45 54.22 1xag n PHE 198 Cb 0.05 -2.33 -0.07 0.00 -0.94 0.00 0.00 39.48 36.19 1xag n PHE 198 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1xag h LYS 199 N 6.62 0.73 0.00 -1.08 1.57 -1.79 -3.44 116.57 119.18 1xag h LYS 199 Ca 0.43 -0.66 -0.38 0.00 -1.87 0.00 0.00 60.65 58.17 1xag h LYS 199 Cb 0.75 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 33.12 1xag h LYS 199 CO 1.55 1.26 -0.35 -0.40 -0.57 0.00 0.00 179.45 180.93 1xag n ASP 200 N -3.90 -0.06 -0.14 0.86 5.68 -1.26 -4.71 116.55 113.02 1xag n ASP 200 Ca -0.08 -2.66 -0.07 0.00 -0.50 0.00 0.00 54.79 51.48 1xag n ASP 200 Cb 0.79 1.13 0.01 0.00 -1.14 0.00 0.00 41.12 41.91 1xag n ASP 200 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1xag h ARG 201 N 0.00 0.57 -0.65 0.11 2.43 -1.59 -2.07 114.38 113.18 1xag h ARG 201 Ca -0.20 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1xag h ARG 201 Cb 0.91 -0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 30.21 1xag h ARG 201 CO 0.29 0.38 -0.29 0.93 -1.51 0.00 0.00 179.97 179.77 1xag h GLU 202 N 0.59 -0.10 -0.24 0.20 5.08 -1.92 0.44 114.58 118.62 1xag h GLU 202 Ca 0.16 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1xag h GLU 202 Cb -0.06 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xag h GLU 202 CO -0.04 -0.07 -0.38 0.82 -1.00 0.00 0.00 179.01 178.35 1xag h ILE 203 N -0.11 1.31 0.94 3.13 1.08 -1.90 -2.76 117.51 119.20 1xag h ILE 203 Ca 0.27 -1.58 -0.05 0.00 -0.39 0.00 0.00 64.86 63.12 1xag h ILE 203 Cb 0.55 1.73 0.01 0.00 -3.07 0.00 0.00 36.82 36.04 1xag h ILE 203 CO -0.71 0.50 -0.45 0.25 -0.69 0.00 0.00 178.15 177.04 1xag h LEU 204 N 0.40 -1.08 -2.17 1.44 6.46 -0.58 -2.40 115.31 117.37 1xag h LEU 204 Ca 0.02 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1xag h LEU 204 Cb 0.97 0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 41.17 1xag h LEU 204 CO 0.09 -0.77 0.28 -0.61 -0.62 0.00 0.00 178.44 176.81 1xag h GLN 205 N -1.26 0.00 0.00 1.25 4.15 -0.25 0.24 115.11 119.24 1xag h GLN 205 Ca -0.13 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.22 1xag h GLN 205 Cb 0.97 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 1xag h GLN 205 CO 0.21 0.00 -0.38 0.66 -1.93 0.00 0.00 178.83 177.39 1xag h SER 206 N 0.00 0.00 -0.65 -0.69 4.64 -1.13 -3.47 113.55 112.25 1xag h SER 206 Ca 0.02 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.07 1xag h SER 206 Cb 0.58 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.56 1xag h SER 206 CO -0.00 0.34 -0.25 0.18 -0.87 0.00 0.00 176.83 176.23 1xag n LEU 207 N -3.17 -0.92 -4.71 5.97 4.77 0.83 -4.96 117.00 114.82 1xag n LEU 207 Ca 0.02 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 1xag n LEU 207 Cb 0.67 -2.17 -0.03 0.00 -2.33 0.00 0.00 43.42 39.56 1xag n LEU 207 CO 0.39 -0.78 1.11 0.21 -1.33 0.00 0.00 177.39 176.99 1xag s ASN 208 N -2.76 6.79 0.00 -1.43 3.04 -1.26 -2.16 114.94 117.17 1xag s ASN 208 Ca 0.00 2.32 0.00 0.00 0.04 0.00 0.00 52.86 55.22 1xag s ASN 208 Cb 0.00 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 37.13 1xag s ASN 208 CO 0.00 -0.70 0.00 0.61 -3.04 0.00 0.00 177.10 173.97 1xag n GLY 209 N 3.59 0.32 0.29 1.21 0.00 -1.26 -4.87 105.19 104.47 1xag n GLY 209 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 1xag n GLY 209 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xag h MET 210 N 0.70 0.86 -0.35 1.61 4.05 -1.84 -2.90 114.93 117.06 1xag h MET 210 Ca 0.00 -0.26 0.08 0.00 -0.28 0.00 0.00 59.70 59.23 1xag h MET 210 Cb 0.38 -0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.02 1xag h MET 210 CO 0.00 0.89 -0.16 -0.44 0.23 0.00 0.00 176.91 177.42 1xag h ASP 211 N 0.79 -0.55 -0.53 1.39 3.45 -1.89 0.67 116.42 119.74 1xag h ASP 211 Ca 0.14 0.13 0.09 0.00 0.43 0.00 0.00 57.03 57.83 1xag h ASP 211 Cb 0.53 0.31 -0.07 0.00 -0.56 0.00 0.00 39.33 39.54 1xag h ASP 211 CO 0.03 -0.20 0.12 0.50 -1.57 0.00 0.00 179.24 178.12 1xag h LYS 212 N -0.10 0.25 0.00 3.56 3.64 -1.92 -0.58 116.57 121.42 1xag h LYS 212 Ca 0.18 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1xag h LYS 212 Cb 0.37 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1xag h LYS 212 CO -0.42 0.17 -0.27 1.88 -2.27 0.00 0.00 179.45 178.54 1xag h TYR 213 N 0.26 0.00 -0.06 1.91 -1.99 -1.31 -2.24 116.97 113.54 1xag h TYR 213 Ca 0.27 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.95 1xag h TYR 213 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 1xag h TYR 213 CO -0.22 0.27 -0.14 0.82 -0.00 0.00 0.00 178.16 178.89 1xag h ILE 214 N 0.00 1.43 -0.21 -2.88 2.04 0.37 -1.32 117.51 116.95 1xag h ILE 214 Ca -0.00 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 1xag h ILE 214 Cb 0.86 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1xag h ILE 214 CO 0.03 0.41 0.04 0.00 0.00 0.00 0.00 178.15 178.64 1xag h ALA 215 N 0.46 1.69 -0.39 1.87 0.00 -1.10 -0.21 119.26 121.57 1xag h ALA 215 Ca -0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1xag h ALA 215 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xag h ALA 215 CO 0.03 0.24 -0.22 -0.22 0.00 0.00 0.00 179.25 179.09 1xag h LYS 216 N 0.29 0.78 -0.24 0.00 3.64 -1.28 -0.64 116.57 119.12 1xag h LYS 216 Ca 0.07 -0.31 -0.15 0.00 -1.27 0.00 0.00 60.65 58.99 1xag h LYS 216 Cb 0.14 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1xag h LYS 216 CO -0.00 0.92 -0.44 0.78 -2.27 0.00 0.00 179.45 178.44 1xag h GLY 217 N 0.96 0.79 1.42 5.01 0.00 -0.14 -1.65 103.07 109.46 1xag h GLY 217 Ca 0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 1xag h GLY 217 CO 0.06 0.83 0.21 -2.22 0.00 0.00 0.00 176.54 175.42 1xag h ILE 218 N 0.44 1.19 -0.14 2.60 2.04 -0.92 -0.74 117.51 121.98 1xag h ILE 218 Ca 0.01 -0.59 -0.15 0.00 1.00 0.00 0.00 64.86 65.14 1xag h ILE 218 Cb 1.05 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1xag h ILE 218 CO 0.10 0.23 -0.49 -0.33 0.00 0.00 0.00 178.15 177.66 1xag h GLU 219 N 0.74 0.58 -0.68 2.37 5.08 -1.05 0.17 114.58 121.80 1xag h GLU 219 Ca 0.18 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1xag h GLU 219 Cb 0.14 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1xag h GLU 219 CO -0.02 1.06 0.45 1.15 -1.00 0.00 0.00 179.01 180.65 1xag h THR 220 N 0.21 1.09 0.03 1.13 2.02 -1.00 -2.68 112.91 113.73 1xag h THR 220 Ca -0.02 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1xag h THR 220 Cb 1.12 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1xag h THR 220 CO 0.10 0.15 -0.02 0.50 0.37 0.00 0.00 175.52 176.62 1xag h LYS 221 N 0.81 -0.04 -0.96 6.66 3.64 -1.02 -3.19 116.57 122.46 1xag h LYS 221 Ca 0.27 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.89 1xag h LYS 221 Cb 0.07 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 31.73 1xag h LYS 221 CO -0.08 0.50 -0.07 1.25 -2.27 0.00 0.00 179.45 178.79 1xag h LEU 222 N -0.97 -0.61 -0.70 5.20 6.46 -0.54 0.52 115.31 124.67 1xag h LEU 222 Ca -0.00 0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.98 1xag h LEU 222 Cb 0.57 0.51 -0.03 0.00 -0.73 0.00 0.00 40.66 40.98 1xag h LEU 222 CO 0.01 -0.32 0.25 0.44 -0.62 0.00 0.00 178.44 178.20 1xag h ASP 223 N 0.02 0.99 -0.30 1.25 3.45 -1.61 -0.59 116.42 119.63 1xag h ASP 223 Ca 0.53 -0.19 -0.08 0.00 0.43 0.00 0.00 57.03 57.72 1xag h ASP 223 Cb 1.00 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.50 1xag h ASP 223 CO -0.92 0.91 -0.13 0.40 -1.57 0.00 0.00 179.24 177.94 1xag h ILE 224 N 1.01 1.29 0.00 0.35 2.04 -0.08 -1.37 117.51 120.75 1xag h ILE 224 Ca 0.23 -1.21 -0.08 0.00 1.00 0.00 0.00 64.86 64.80 1xag h ILE 224 Cb 0.25 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1xag h ILE 224 CO -0.01 0.39 -0.38 -0.37 0.00 0.00 0.00 178.15 177.78 1xag h VAL 225 N 0.37 0.85 0.03 1.67 -1.51 -0.78 -0.99 116.25 115.89 1xag h VAL 225 Ca 0.07 -1.58 -0.23 0.00 -1.23 0.00 0.00 66.70 63.73 1xag h VAL 225 Cb 0.64 1.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1xag h VAL 225 CO 0.04 0.37 -1.00 0.58 -1.23 0.00 0.00 177.57 176.34 1xag h VAL 226 N 0.00 1.43 -0.00 7.19 2.07 -1.03 -1.84 116.25 124.07 1xag h VAL 226 Ca -0.00 -2.60 -0.25 0.00 0.82 0.00 0.00 66.70 64.67 1xag h VAL 226 Cb 0.95 2.53 0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1xag h VAL 226 CO 0.05 0.77 -0.98 0.00 0.02 0.00 0.00 177.57 177.42 1xag h ALA 227 N 0.74 0.12 -2.03 1.67 0.00 -1.10 -3.40 119.26 115.25 1xag h ALA 227 Ca -0.09 -0.68 -0.55 0.00 0.00 0.00 0.00 54.91 53.59 1xag h ALA 227 Cb 1.65 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 19.10 1xag h ALA 227 CO 0.17 0.64 -1.04 -3.47 0.00 0.00 0.00 179.25 175.54 1xag n ASP 228 N -3.91 0.88 0.09 0.00 2.03 -0.39 -5.01 116.55 110.25 1xag n ASP 228 Ca -0.11 -2.87 -0.15 0.00 0.52 0.00 0.00 54.79 52.18 1xag n ASP 228 Cb 0.85 -0.64 -0.08 0.00 -0.72 0.00 0.00 41.12 40.53 1xag n ASP 228 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1xag h GLU 229 N 3.83 -0.64 -0.94 -0.67 4.81 -1.53 -2.14 114.58 117.29 1xag h GLU 229 Ca 0.09 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1xag h GLU 229 Cb 0.85 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1xag h GLU 229 CO 0.53 -0.43 0.00 1.63 -0.73 0.00 0.00 179.01 180.01 1xag n LYS 230 N -5.47 0.89 -3.58 1.92 4.76 -1.26 -4.88 118.16 110.54 1xag n LYS 230 Ca -0.07 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.13 1xag n LYS 230 Cb 0.39 -1.36 0.01 0.00 -1.84 0.00 0.00 35.03 32.24 1xag n LYS 230 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1xag n GLU 231 N 0.17 -1.66 0.00 1.97 2.13 -0.81 -4.89 120.64 117.55 1xag n GLU 231 Ca 0.00 1.10 0.02 0.00 0.66 0.00 0.00 57.16 58.94 1xag n GLU 231 Cb 0.27 -2.87 -0.01 0.00 0.27 0.00 0.00 31.44 29.10 1xag n GLU 231 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1xag n GLN 232 N -1.79 3.72 0.00 5.31 1.13 -1.26 -4.86 117.38 119.63 1xag n GLN 232 Ca -0.20 -0.25 0.00 0.00 -1.94 0.00 0.00 57.00 54.62 1xag n GLN 232 Cb 0.65 -0.84 0.00 0.00 0.11 0.00 0.00 30.24 30.17 1xag n GLN 232 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xag n GLY 233 N 0.87 2.90 0.30 1.08 0.00 -1.26 -5.01 105.19 104.07 1xag n GLY 233 Ca 0.02 -0.30 0.17 0.00 0.00 0.00 0.00 46.02 45.91 1xag n GLY 233 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xag h VAL 234 N 0.00 0.27 0.00 1.61 -1.51 -1.93 -2.53 116.25 112.15 1xag h VAL 234 Ca 0.00 -0.27 -0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1xag h VAL 234 Cb 0.00 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1xag h VAL 234 CO 0.00 0.04 -0.01 -0.09 -1.23 0.00 0.00 177.57 176.28 1xag h ARG 235 N 0.00 0.00 0.00 5.19 2.43 -1.82 0.67 114.38 120.85 1xag h ARG 235 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1xag h ARG 235 Cb 0.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1xag h ARG 235 CO 0.01 0.01 -0.05 0.87 -1.51 0.00 0.00 179.97 179.30 1xag h LYS 236 N 0.00 0.00 0.00 0.20 1.57 -1.78 -1.09 116.57 115.47 1xag h LYS 236 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1xag h LYS 236 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1xag h LYS 236 CO 0.00 0.05 -0.08 0.74 -0.57 0.00 0.00 179.45 179.59 1xag h PHE 237 N 0.00 0.00 0.00 -1.35 0.04 -1.07 -1.32 116.94 113.24 1xag h PHE 237 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xag h PHE 237 Cb 0.10 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 1xag h PHE 237 CO 0.00 0.08 -0.01 -0.07 -0.60 0.00 0.00 178.31 177.71 1xag h LEU 238 N 0.00 0.00 -0.09 1.54 3.38 -1.34 -1.50 115.31 117.30 1xag h LEU 238 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xag h LEU 238 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xag h LEU 238 CO 0.01 0.01 0.00 -3.20 0.09 0.00 0.00 178.44 175.35 1xag n ASN 239 N -3.16 0.09 -4.62 -0.43 4.05 -0.50 -4.91 115.26 105.79 1xag n ASN 239 Ca -0.02 -1.95 -0.56 0.00 0.45 0.00 0.00 54.58 52.50 1xag n ASN 239 Cb 0.13 -0.04 -0.07 0.00 1.23 0.00 0.00 39.78 41.03 1xag n ASN 239 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1xag n LEU 240 N -0.45 1.51 -0.93 1.20 7.94 -0.57 -0.12 117.00 125.58 1xag n LEU 240 Ca 0.00 1.12 -0.12 0.00 -1.11 0.00 0.00 56.01 55.90 1xag n LEU 240 Cb 0.02 -1.11 -0.05 0.00 0.53 0.00 0.00 43.42 42.81 1xag n LEU 240 CO 0.00 -1.03 -0.12 0.61 -1.11 0.00 0.00 177.39 175.74 1xag n GLY 241 N 2.85 1.27 0.00 -3.96 0.00 -1.26 -4.84 105.19 99.26 1xag n GLY 241 Ca 0.21 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1xag n GLY 241 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xag n HIS 242 N -2.50 0.00 -0.15 1.61 8.25 0.83 -2.67 115.22 120.59 1xag n HIS 242 Ca -0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 1xag n HIS 242 Cb 0.47 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 1xag n HIS 242 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1xag h THR 243 N 0.00 1.25 0.08 1.59 2.02 -1.90 -0.36 112.91 115.59 1xag h THR 243 Ca 0.00 -0.93 -0.32 0.00 0.77 0.00 0.00 66.41 65.93 1xag h THR 243 Cb 0.69 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1xag h THR 243 CO 0.00 0.32 -1.77 0.15 0.37 0.00 0.00 175.52 174.59 1xag h PHE 244 N 0.56 0.31 0.00 3.16 3.04 -1.88 -3.29 116.94 118.85 1xag h PHE 244 Ca 0.12 -0.23 0.03 0.00 3.98 0.00 0.00 57.97 61.88 1xag h PHE 244 Cb 0.41 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.86 1xag h PHE 244 CO 0.03 1.42 -0.30 0.78 -2.02 0.00 0.00 178.31 178.22 1xag h GLY 245 N 2.06 -0.48 2.00 2.40 0.00 -1.47 -0.07 103.07 107.52 1xag h GLY 245 Ca -0.33 0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1xag h GLY 245 CO 0.11 -0.23 -0.07 0.45 0.00 0.00 0.00 176.54 176.80 1xag h HIS 246 N -0.45 0.00 -0.03 5.60 3.86 -1.22 0.15 115.15 123.06 1xag h HIS 246 Ca 0.06 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.18 1xag h HIS 246 Cb 0.53 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.01 1xag h HIS 246 CO -0.32 0.07 -0.34 0.00 0.86 0.00 0.00 177.93 178.20 1xag h ALA 247 N 1.93 0.08 -0.52 2.45 0.00 -1.45 -2.46 119.26 119.29 1xag h ALA 247 Ca -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1xag h ALA 247 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xag h ALA 247 CO 0.01 0.17 -0.03 0.28 0.00 0.00 0.00 179.25 179.67 1xag h VAL 248 N -0.29 1.27 0.62 0.00 2.07 -0.66 -2.68 116.25 116.58 1xag h VAL 248 Ca -0.03 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1xag h VAL 248 Cb 1.04 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1xag h VAL 248 CO 0.07 0.40 -0.30 -0.08 0.02 0.00 0.00 177.57 177.68 1xag h GLU 249 N 0.80 -0.80 -0.68 1.57 4.81 -0.78 0.15 114.58 119.65 1xag h GLU 249 Ca 0.14 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1xag h GLU 249 Cb 0.57 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 1xag h GLU 249 CO 0.03 -0.52 0.44 -0.92 -0.73 0.00 0.00 179.01 177.31 1xag h TYR 250 N -0.87 0.82 0.11 0.92 3.20 -1.48 0.35 116.97 120.03 1xag h TYR 250 Ca -0.08 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.51 1xag h TYR 250 Cb 0.65 -0.27 0.03 0.00 1.54 0.00 0.00 36.73 38.68 1xag h TYR 250 CO -0.02 0.50 -1.24 -0.92 -1.64 0.00 0.00 178.16 174.84 1xag h TYR 251 N 0.88 0.99 -0.11 -3.82 3.20 -1.51 -3.33 116.97 113.27 1xag h TYR 251 Ca 0.26 -0.62 0.00 0.00 3.14 0.00 0.00 58.73 61.51 1xag h TYR 251 Cb -0.05 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.14 1xag h TYR 251 CO -0.03 1.46 0.00 0.72 -1.64 0.00 0.00 178.16 178.67 1xag n HIS 252 N -3.78 0.12 -2.31 -3.82 8.25 0.04 -4.96 115.22 108.76 1xag n HIS 252 Ca -0.13 -0.06 -0.09 0.00 -0.26 0.00 0.00 57.72 57.18 1xag n HIS 252 Cb 0.98 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.08 1xag n HIS 252 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xag n LYS 253 N 0.85 -2.30 -2.28 -0.41 4.76 0.12 -4.95 118.16 113.95 1xag n LYS 253 Ca 0.17 0.43 -0.26 0.00 -2.87 0.00 0.00 58.31 55.77 1xag n LYS 253 Cb 0.48 -4.95 0.05 0.00 -1.84 0.00 0.00 35.03 28.78 1xag n LYS 253 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1xag s ILE 254 N -2.34 2.88 0.51 -0.18 -4.36 -1.23 -5.01 121.20 111.46 1xag s ILE 254 Ca 0.00 -0.15 -0.22 0.00 -0.26 0.00 0.00 60.65 60.02 1xag s ILE 254 Cb 0.00 -3.20 -0.07 0.00 1.25 0.00 0.00 42.46 40.44 1xag s ILE 254 CO 0.00 -0.21 1.10 -2.65 0.24 0.00 0.00 174.94 173.42 1xag n PRO 255 N -2.77 1.36 0.00 0.37 -0.02 -1.26 -4.82 135.00 127.85 1xag n PRO 255 Ca 0.07 0.50 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1xag n PRO 255 Cb 0.59 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1xag n PRO 255 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xag h HIS 256 N 1.24 -0.51 -0.17 6.00 2.76 -1.95 -2.01 115.15 120.50 1xag h HIS 256 Ca -0.48 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.69 1xag h HIS 256 Cb 1.33 0.25 -0.01 0.00 1.55 0.00 0.00 27.41 30.53 1xag h HIS 256 CO 0.42 -0.27 -0.02 0.78 -1.30 0.00 0.00 177.93 177.54 1xag h GLY 257 N -0.25 0.27 0.91 5.26 0.00 -1.90 -1.09 103.07 106.26 1xag h GLY 257 Ca 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1xag h GLY 257 CO -0.27 0.13 0.05 0.45 0.00 0.00 0.00 176.54 176.89 1xag h HIS 258 N 0.25 0.61 -0.66 5.60 -0.00 -1.69 -1.67 115.15 117.59 1xag h HIS 258 Ca 0.06 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1xag h HIS 258 Cb 0.20 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.41 1xag h HIS 258 CO 0.00 0.65 0.39 0.00 -0.00 0.00 0.00 177.93 178.97 1xag h ALA 259 N 0.89 0.84 -0.57 2.45 0.00 -0.77 -2.20 119.26 119.91 1xag h ALA 259 Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1xag h ALA 259 Cb 0.37 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1xag h ALA 259 CO 0.01 0.32 0.32 0.28 0.00 0.00 0.00 179.25 180.18 1xag h VAL 260 N 0.90 1.00 -0.51 0.00 2.07 -0.95 -0.56 116.25 118.19 1xag h VAL 260 Ca 0.24 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1xag h VAL 260 Cb -0.02 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1xag h VAL 260 CO -0.04 0.11 0.32 0.24 0.02 0.00 0.00 177.57 178.22 1xag h MET 261 N 0.62 0.63 -0.70 1.57 2.86 -0.80 0.16 114.93 119.26 1xag h MET 261 Ca 0.24 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1xag h MET 261 Cb 0.10 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1xag h MET 261 CO -0.14 0.41 0.43 0.28 1.06 0.00 0.00 176.91 178.95 1xag h VAL 262 N 0.64 1.20 -0.11 -2.22 2.07 -0.90 -2.42 116.25 114.52 1xag h VAL 262 Ca 0.20 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1xag h VAL 262 Cb -0.02 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1xag h VAL 262 CO -0.07 0.21 -0.21 1.23 0.02 0.00 0.00 177.57 178.75 1xag h GLY 263 N 0.96 0.19 0.85 2.17 0.00 -0.24 -1.01 103.07 105.99 1xag h GLY 263 Ca 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1xag h GLY 263 CO -0.05 0.12 0.04 -2.22 0.00 0.00 0.00 176.54 174.43 1xag h ILE 264 N 0.17 1.22 -0.63 2.60 2.04 -0.24 0.49 117.51 123.16 1xag h ILE 264 Ca 0.03 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1xag h ILE 264 Cb 0.47 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1xag h ILE 264 CO 0.03 0.23 0.29 0.40 0.00 0.00 0.00 178.15 179.11 1xag h ILE 265 N 0.15 1.22 -0.11 -0.67 1.08 -1.17 -0.98 117.51 117.03 1xag h ILE 265 Ca 0.06 -0.64 0.01 0.00 -0.39 0.00 0.00 64.86 63.90 1xag h ILE 265 Cb 0.32 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 1xag h ILE 265 CO 0.00 0.26 0.04 0.22 -0.69 0.00 0.00 178.15 177.98 1xag h TYR 266 N 0.88 0.07 -0.93 1.37 3.20 -0.87 -0.75 116.97 119.93 1xag h TYR 266 Ca 0.22 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.24 1xag h TYR 266 Cb 0.14 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.30 1xag h TYR 266 CO 0.00 0.03 0.54 0.37 -1.64 0.00 0.00 178.16 177.47 1xag h GLN 267 N 0.09 0.75 -0.34 1.82 -0.00 0.58 -0.34 115.11 117.67 1xag h GLN 267 Ca 0.05 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 1xag h GLN 267 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.33 1xag h GLN 267 CO -0.05 0.50 -0.02 0.74 0.00 0.00 0.00 178.83 180.00 1xag h PHE 268 N 0.78 0.67 -0.91 3.99 0.05 -0.53 -1.59 116.94 119.39 1xag h PHE 268 Ca 0.50 -0.12 0.01 0.00 3.82 0.00 0.00 57.97 62.17 1xag h PHE 268 Cb 0.65 -0.17 -0.05 0.00 2.00 0.00 0.00 35.95 38.38 1xag h PHE 268 CO -0.04 0.74 0.59 0.82 -0.18 0.00 0.00 178.31 180.24 1xag h ILE 269 N 0.42 1.24 -0.19 -0.55 2.04 -0.08 -0.97 117.51 119.42 1xag h ILE 269 Ca 0.09 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1xag h ILE 269 Cb 0.48 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1xag h ILE 269 CO 0.02 0.24 0.06 0.58 0.00 0.00 0.00 178.15 179.05 1xag h VAL 270 N 1.24 1.19 -0.94 1.67 2.07 -0.99 -2.37 116.25 118.12 1xag h VAL 270 Ca 0.33 -0.58 0.12 0.00 0.82 0.00 0.00 66.70 67.40 1xag h VAL 270 Cb -0.12 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1xag h VAL 270 CO -0.07 0.18 0.60 0.00 0.02 0.00 0.00 177.57 178.30 1xag h ALA 271 N 0.88 1.65 -0.52 1.67 0.00 -0.64 -0.40 119.26 121.91 1xag h ALA 271 Ca 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1xag h ALA 271 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xag h ALA 271 CO -0.00 0.12 -0.07 -0.91 0.00 0.00 0.00 179.25 178.38 1xag h ASN 272 N 0.87 0.97 -0.27 0.00 2.35 -0.92 -0.31 115.58 118.26 1xag h ASN 272 Ca 0.46 -0.34 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 1xag h ASN 272 Cb 0.55 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1xag h ASN 272 CO -0.23 1.08 -0.31 0.00 -1.65 0.00 0.00 177.43 176.32 1xag h ALA 273 N 0.92 0.77 0.18 -0.83 0.00 -0.63 0.34 119.26 120.02 1xag h ALA 273 Ca 0.14 -0.41 -0.34 0.00 0.00 0.00 0.00 54.91 54.29 1xag h ALA 273 Cb 0.63 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1xag h ALA 273 CO 0.04 0.65 -1.68 -0.07 0.00 0.00 0.00 179.25 178.19 1xag h LEU 274 N 0.66 0.61 -0.30 0.00 3.38 -1.09 -3.39 115.31 115.18 1xag h LEU 274 Ca 0.07 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1xag h LEU 274 Cb 0.85 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1xag h LEU 274 CO 0.07 1.72 -0.21 0.49 0.09 0.00 0.00 178.44 180.61 1xag n PHE 275 N -3.58 0.00 -3.33 1.13 3.72 -0.14 -5.01 117.46 110.25 1xag n PHE 275 Ca -0.22 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.01 1xag n PHE 275 Cb 1.08 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.69 1xag n PHE 275 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xag n ASP 276 N -0.77 -5.57 0.00 4.37 4.64 0.12 -4.88 116.55 114.46 1xag n ASP 276 Ca 0.02 -0.72 0.13 0.00 -1.38 0.00 0.00 54.79 52.84 1xag n ASP 276 Cb 0.11 -5.04 0.68 0.00 -1.04 0.00 0.00 41.12 35.83 1xag n ASP 276 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1xag n SER 277 N -3.17 0.00 -3.85 1.67 7.64 -1.23 -4.92 113.62 109.77 1xag n SER 277 Ca -0.12 -0.17 -0.29 0.00 1.01 0.00 0.00 58.87 59.30 1xag n SER 277 Cb 0.63 -0.25 0.04 0.00 -1.01 0.00 0.00 64.21 63.61 1xag n SER 277 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xag n LYS 278 N -1.25 -5.91 -2.38 1.43 4.76 -1.26 -4.91 118.16 108.64 1xag n LYS 278 Ca 0.13 0.64 -0.42 0.00 -2.87 0.00 0.00 58.31 55.79 1xag n LYS 278 Cb 0.20 -5.54 -0.03 0.00 -1.84 0.00 0.00 35.03 27.82 1xag n LYS 278 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1xag s HIS 279 N -3.33 3.32 -1.09 2.13 3.76 -1.26 -4.91 115.29 113.90 1xag s HIS 279 Ca 0.61 1.20 -0.22 0.00 -0.15 0.00 0.00 55.06 56.49 1xag s HIS 279 Cb -0.30 -3.48 0.00 0.00 1.11 0.00 0.00 32.58 29.92 1xag s HIS 279 CO 0.81 -1.54 1.74 0.34 -0.85 0.00 0.00 174.74 175.25 1xag s ASP 280 N 1.22 5.95 0.26 1.40 -1.08 -1.26 -4.78 116.67 118.37 1xag s ASP 280 Ca 0.60 -1.54 -0.03 0.00 -0.52 0.00 0.00 52.55 51.05 1xag s ASP 280 Cb -0.30 -2.57 0.39 0.00 -1.46 0.00 0.00 42.92 38.98 1xag s ASP 280 CO 0.28 -2.05 1.88 0.40 0.52 0.00 0.00 175.17 176.20 1xag h ILE 281 N 6.49 1.10 -0.17 4.11 1.08 -1.98 -0.21 117.51 127.93 1xag h ILE 281 Ca 0.24 -0.41 0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1xag h ILE 281 Cb 0.96 -0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1xag h ILE 281 CO 1.34 0.22 0.12 0.28 -0.69 0.00 0.00 178.15 179.41 1xag h SER 282 N 1.19 0.13 -0.12 1.72 0.02 -1.99 -1.52 113.55 112.98 1xag h SER 282 Ca 0.43 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 1xag h SER 282 Cb 0.14 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1xag h SER 282 CO -0.17 0.09 0.02 -0.74 -1.14 0.00 0.00 176.83 174.89 1xag h HIS 283 N 0.16 0.21 -0.49 3.45 -0.00 -1.42 -1.37 115.15 115.68 1xag h HIS 283 Ca 0.07 -0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.31 1xag h HIS 283 Cb 0.09 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 1xag h HIS 283 CO -0.00 0.40 -0.10 1.88 -0.00 0.00 0.00 177.93 180.10 1xag h TYR 284 N -0.03 1.04 -0.19 5.26 0.05 -1.29 -2.68 116.97 119.13 1xag h TYR 284 Ca 0.04 -0.22 -0.10 0.00 0.05 0.00 0.00 58.73 58.50 1xag h TYR 284 Cb 0.30 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 1xag h TYR 284 CO 0.02 1.00 -0.32 0.82 -1.05 0.00 0.00 178.16 178.63 1xag h ILE 285 N 0.78 1.28 -0.40 -2.88 2.04 -1.29 -2.56 117.51 114.49 1xag h ILE 285 Ca 0.13 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 1xag h ILE 285 Cb 0.65 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1xag h ILE 285 CO 0.05 0.42 0.07 0.06 0.00 0.00 0.00 178.15 178.75 1xag h GLN 286 N 0.33 0.65 -0.81 2.37 3.07 -1.16 -2.52 115.11 117.05 1xag h GLN 286 Ca 0.04 -0.17 0.04 0.00 0.09 0.00 0.00 58.65 58.65 1xag h GLN 286 Cb 0.74 -0.08 -0.05 0.00 0.08 0.00 0.00 27.48 28.17 1xag h GLN 286 CO 0.06 0.70 0.51 -0.92 0.09 0.00 0.00 178.83 179.27 1xag h TYR 287 N 0.50 0.95 0.69 0.06 -0.00 -1.26 -1.83 116.97 116.08 1xag h TYR 287 Ca 0.12 0.03 -0.03 0.00 -0.00 0.00 0.00 58.73 58.84 1xag h TYR 287 Cb 0.36 -0.31 0.01 0.00 -0.00 0.00 0.00 36.73 36.79 1xag h TYR 287 CO 0.02 0.52 -0.33 -0.07 -0.00 0.00 0.00 178.16 178.30 1xag h LEU 288 N 0.97 -0.78 -0.90 2.82 3.38 -1.31 -2.10 115.31 117.38 1xag h LEU 288 Ca 0.33 -0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.49 1xag h LEU 288 Cb 0.07 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 40.85 1xag h LEU 288 CO -0.13 -0.49 -0.17 0.40 0.09 0.00 0.00 178.44 178.13 1xag h ILE 289 N -1.05 0.11 0.00 1.22 5.03 -1.21 0.28 117.51 121.89 1xag h ILE 289 Ca -0.09 -0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.57 1xag h ILE 289 Cb 0.74 0.10 -0.01 0.00 -3.03 0.00 0.00 36.82 34.62 1xag h ILE 289 CO 0.16 0.00 -0.33 1.56 -0.68 0.00 0.00 178.15 178.86 1xag h GLN 290 N 0.01 0.00 0.00 2.37 4.20 -1.25 -2.28 115.11 118.17 1xag h GLN 290 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1xag h GLN 290 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1xag h GLN 290 CO -0.91 0.33 0.00 -0.07 -0.67 0.00 0.00 178.83 177.51 1xag h LEU 291 N 0.00 0.00 0.00 1.46 3.38 0.24 -2.27 115.31 118.12 1xag h LEU 291 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xag h LEU 291 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xag h LEU 291 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1xag n GLY 292 N 0.88 1.08 3.68 0.83 0.00 -0.75 -4.31 105.19 106.60 1xag n GLY 292 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1xag n GLY 292 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xag s TYR 293 N -2.00 2.36 0.00 1.61 2.02 -1.09 -4.95 117.35 115.29 1xag s TYR 293 Ca 0.00 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 1xag s TYR 293 Cb 0.00 -3.92 0.00 0.00 -0.40 0.00 0.00 41.96 37.64 1xag s TYR 293 CO 0.00 -3.71 0.20 -2.30 -1.57 0.00 0.00 175.55 168.17 1xag n PRO 294 N 5.94 0.00 -1.13 -1.71 -0.02 -1.26 -4.59 135.00 132.24 1xag n PRO 294 Ca 0.16 0.10 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1xag n PRO 294 Cb 0.41 -0.70 -0.02 0.00 -0.02 0.00 0.00 33.50 33.18 1xag n PRO 294 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1xag n LEU 295 N -0.30 -0.21 0.10 2.45 7.94 -1.26 -4.92 117.00 120.79 1xag n LEU 295 Ca 0.00 0.11 -0.24 0.00 -1.11 0.00 0.00 56.01 54.77 1xag n LEU 295 Cb 0.00 -1.21 -0.15 0.00 0.53 0.00 0.00 43.42 42.59 1xag n LEU 295 CO 0.00 -0.33 -0.37 -2.24 -1.11 0.00 0.00 177.39 173.33 1xag h ASP 296 N 0.00 0.69 -0.98 1.96 2.03 -2.03 -3.38 116.42 114.71 1xag h ASP 296 Ca -0.09 -0.93 0.32 0.00 -0.73 0.00 0.00 57.03 55.60 1xag h ASP 296 Cb 0.39 -0.22 -0.18 0.00 -0.83 0.00 0.00 39.33 38.49 1xag h ASP 296 CO 0.13 1.72 0.23 0.00 -1.03 0.00 0.00 179.24 180.29 1xag h MET 297 N 0.06 0.03 -0.34 4.15 -0.00 -2.01 -2.01 114.93 114.82 1xag h MET 297 Ca -0.29 -0.00 0.10 0.00 -0.00 0.00 0.00 59.70 59.50 1xag h MET 297 Cb 2.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 33.66 1xag h MET 297 CO 0.21 0.02 0.79 0.97 -0.00 0.00 0.00 176.91 178.90 1xag h ILE 298 N 0.04 0.07 0.00 -0.10 2.10 -2.01 -2.03 117.51 115.58 1xag h ILE 298 Ca 0.68 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.62 1xag h ILE 298 Cb 1.56 0.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 1xag h ILE 298 CO -0.84 0.00 0.21 1.07 -1.08 0.00 0.00 178.15 177.51 1xag n THR 299 N -3.01 0.98 -3.01 2.19 5.66 -0.76 -0.44 114.28 115.90 1xag n THR 299 Ca 0.07 0.46 -0.15 0.00 -3.05 0.00 0.00 64.05 61.37 1xag n THR 299 Cb 0.91 -1.46 -0.01 0.00 -1.55 0.00 0.00 70.33 68.22 1xag n THR 299 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1xag n ASP 300 N -1.23 1.06 -4.49 1.09 3.85 -0.76 -5.07 116.55 111.00 1xag n ASP 300 Ca 0.00 -2.91 -0.42 0.00 -0.71 0.00 0.00 54.79 50.74 1xag n ASP 300 Cb 0.21 -0.59 -0.09 0.00 -1.35 0.00 0.00 41.12 39.30 1xag n ASP 300 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1xag s LEU 301 N -2.67 4.85 -0.78 -2.12 2.96 0.42 -5.04 118.68 116.31 1xag s LEU 301 Ca 0.36 -0.65 -0.18 0.00 -0.22 0.00 0.00 54.13 53.43 1xag s LEU 301 Cb 0.39 -2.29 0.13 0.00 0.50 0.00 0.00 46.19 44.92 1xag s LEU 301 CO -0.04 -0.48 0.91 -0.62 -1.32 0.00 0.00 176.35 174.80 1xag s ASP 302 N 1.75 6.47 0.22 3.68 3.68 -1.26 -4.92 116.67 126.30 1xag s ASP 302 Ca 0.09 -1.88 -0.09 0.00 2.13 0.00 0.00 52.55 52.81 1xag s ASP 302 Cb -0.18 -2.33 0.34 0.00 -1.45 0.00 0.00 42.92 39.30 1xag s ASP 302 CO 0.12 -1.02 1.70 0.15 0.13 0.00 0.00 175.17 176.24 1xag h PHE 303 N 8.81 0.20 -0.86 -5.34 3.04 -1.97 0.65 116.94 121.47 1xag h PHE 303 Ca -0.04 0.04 0.22 0.00 3.98 0.00 0.00 57.97 62.17 1xag h PHE 303 Cb 1.05 0.01 -0.13 0.00 2.56 0.00 0.00 35.95 39.44 1xag h PHE 303 CO 1.02 -0.06 0.27 1.49 -2.02 0.00 0.00 178.31 179.01 1xag h GLU 304 N 0.25 0.26 0.19 1.11 4.81 -2.00 0.35 114.58 119.56 1xag h GLU 304 Ca 0.35 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1xag h GLU 304 Cb 0.54 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1xag h GLU 304 CO -0.45 0.17 -0.09 1.15 -0.73 0.00 0.00 179.01 179.06 1xag h THR 305 N 0.27 0.80 -1.01 0.32 2.02 -1.34 -3.30 112.91 110.66 1xag h THR 305 Ca 0.54 -1.02 0.11 0.00 0.77 0.00 0.00 66.41 66.81 1xag h THR 305 Cb 1.05 1.31 -0.08 0.00 -1.74 0.00 0.00 68.15 68.69 1xag h THR 305 CO -0.60 0.20 0.64 -0.07 0.37 0.00 0.00 175.52 176.05 1xag h LEU 306 N -0.85 0.95 -1.53 2.58 3.38 -0.49 -1.48 115.31 117.86 1xag h LEU 306 Ca -0.03 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.16 1xag h LEU 306 Cb 0.52 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1xag h LEU 306 CO 0.04 0.52 0.55 0.22 0.09 0.00 0.00 178.44 179.86 1xag h TYR 307 N 1.02 0.53 -0.51 1.13 -0.00 -0.40 0.12 116.97 118.87 1xag h TYR 307 Ca 0.49 0.02 -0.04 0.00 -0.00 0.00 0.00 58.73 59.19 1xag h TYR 307 Cb 0.45 -0.17 -0.02 0.00 -0.00 0.00 0.00 36.73 36.99 1xag h TYR 307 CO -0.00 0.18 0.14 1.96 -0.00 0.00 0.00 178.16 180.43 1xag h GLN 308 N 0.43 0.76 0.01 1.82 1.08 -1.36 -0.65 115.11 117.20 1xag h GLN 308 Ca 0.42 -0.14 -0.22 0.00 -1.45 0.00 0.00 58.65 57.26 1xag h GLN 308 Cb 0.98 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1xag h GLN 308 CO -0.15 0.68 -0.94 1.88 -0.95 0.00 0.00 178.83 179.35 1xag h TYR 309 N 0.74 0.49 0.00 2.96 0.05 -0.89 -2.99 116.97 117.33 1xag h TYR 309 Ca 0.17 -0.28 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 1xag h TYR 309 Cb 0.25 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1xag h TYR 309 CO 0.01 1.10 -0.23 0.52 -1.05 0.00 0.00 178.16 178.51 1xag h MET 310 N 0.18 0.00 0.00 4.88 2.86 -0.79 -2.10 114.93 119.96 1xag h MET 310 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1xag h MET 310 Cb 1.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1xag h MET 310 CO 0.16 0.23 0.00 -0.11 1.06 0.00 0.00 176.91 178.25 1xag n LEU 311 N -3.68 0.00 -0.10 1.22 7.94 -0.29 -1.85 117.00 120.24 1xag n LEU 311 Ca -0.01 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.91 1xag n LEU 311 Cb 0.35 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.30 1xag n LEU 311 CO 0.34 0.00 0.20 -1.20 -1.11 0.00 0.00 177.39 175.61 1xag n SER 312 N -0.93 0.91 -4.66 1.96 7.64 -0.79 -5.01 113.62 112.74 1xag n SER 312 Ca 0.14 -0.96 -0.51 0.00 1.01 0.00 0.00 58.87 58.56 1xag n SER 312 Cb 0.07 0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 1xag n SER 312 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1xag n ASP 313 N -0.25 2.57 0.00 6.43 2.03 -0.77 -4.78 116.55 121.78 1xag n ASP 313 Ca 0.02 1.07 0.01 0.00 0.52 0.00 0.00 54.79 56.41 1xag n ASP 313 Cb 0.08 -1.28 0.05 0.00 -0.72 0.00 0.00 41.12 39.25 1xag n ASP 313 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xag n LYS 314 N 4.20 0.19 -0.01 -0.67 5.02 -1.26 -1.52 118.16 124.11 1xag n LYS 314 Ca 0.20 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.60 1xag n LYS 314 Cb 0.23 -1.14 -0.17 0.00 -0.02 0.00 0.00 35.03 33.93 1xag n LYS 314 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xag n LYS 315 N -0.64 0.66 -0.47 1.97 4.81 -1.26 -5.01 118.16 118.22 1xag n LYS 315 Ca 0.01 -0.19 -0.29 0.00 -0.87 0.00 0.00 58.31 56.97 1xag n LYS 315 Cb 0.01 -1.52 0.25 0.00 0.02 0.00 0.00 35.03 33.79 1xag n LYS 315 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xag n ASN 316 N -2.27 -2.30 -0.77 3.14 4.13 -0.57 -4.59 115.26 112.03 1xag n ASN 316 Ca -0.05 -0.28 0.00 0.00 1.68 0.00 0.00 54.58 55.93 1xag n ASN 316 Cb 0.59 -1.15 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 1xag n ASN 316 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1xag n ASP 317 N -4.41 0.16 -0.28 6.41 5.68 -0.80 -4.93 116.55 118.39 1xag n ASP 317 Ca 0.03 -0.71 -0.04 0.00 -0.50 0.00 0.00 54.79 53.57 1xag n ASP 317 Cb 0.56 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.65 1xag n ASP 317 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1xag h LYS 318 N 0.00 1.15 -0.70 0.11 1.79 -2.02 -2.76 116.57 114.14 1xag h LYS 318 Ca 0.00 -0.17 0.03 0.00 -2.18 0.00 0.00 60.65 58.33 1xag h LYS 318 Cb 0.00 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.40 1xag h LYS 318 CO 0.00 0.90 0.43 1.96 -1.08 0.00 0.00 179.45 181.66 1xag h GLN 319 N 1.14 0.82 0.00 3.15 4.20 -2.03 -3.49 115.11 118.90 1xag h GLN 319 Ca 0.27 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1xag h GLN 319 Cb 0.13 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1xag h GLN 319 CO -0.03 0.54 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 1xag n GLY 320 N -1.29 0.15 3.72 3.46 0.00 -1.04 -5.10 105.19 105.09 1xag n GLY 320 Ca 0.08 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1xag n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xag s VAL 321 N -2.91 2.80 -0.15 1.61 1.01 -1.26 -1.91 120.40 119.59 1xag s VAL 321 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1xag s VAL 321 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1xag s VAL 321 CO 0.00 0.05 -0.17 -1.10 0.00 0.00 0.00 175.10 173.88 1xag s GLN 322 N 1.03 3.16 0.29 2.72 -1.52 -1.26 -0.94 119.66 123.14 1xag s GLN 322 Ca 0.68 -0.78 0.11 0.00 -1.95 0.00 0.00 55.36 53.42 1xag s GLN 322 Cb -0.42 -2.56 -0.05 0.00 -0.22 0.00 0.00 33.01 29.76 1xag s GLN 322 CO 0.32 0.02 -0.10 -1.64 -0.25 0.00 0.00 175.29 173.63 1xag s MET 323 N 0.79 1.95 -0.30 2.91 -1.94 -0.09 -4.57 119.30 118.04 1xag s MET 323 Ca -0.06 -1.66 -0.11 0.00 -1.71 0.00 0.00 55.69 52.15 1xag s MET 323 Cb -0.15 -1.92 -0.03 0.00 2.01 0.00 0.00 34.83 34.74 1xag s MET 323 CO -0.00 0.31 0.20 0.08 -0.01 0.00 0.00 175.02 175.59 1xag s VAL 324 N -2.45 5.14 0.13 -6.03 1.01 -1.26 -1.88 120.40 115.06 1xag s VAL 324 Ca 0.31 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.33 1xag s VAL 324 Cb -0.04 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1xag s VAL 324 CO 0.17 0.14 -0.26 -0.76 0.00 0.00 0.00 175.10 174.39 1xag s LEU 325 N 1.72 2.33 -0.53 3.92 1.43 -0.10 -4.45 118.68 122.99 1xag s LEU 325 Ca 0.06 -0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 52.31 1xag s LEU 325 Cb -0.17 -1.17 0.13 0.00 0.03 0.00 0.00 46.19 45.01 1xag s LEU 325 CO 0.10 0.16 0.42 -0.32 0.23 0.00 0.00 176.35 176.93 1xag s MET 326 N -2.10 2.67 0.38 1.70 -2.45 -1.26 -0.93 119.30 117.31 1xag s MET 326 Ca 0.14 -1.89 0.05 0.00 -1.25 0.00 0.00 55.69 52.74 1xag s MET 326 Cb -0.10 -4.02 0.75 0.00 1.25 0.00 0.00 34.83 32.71 1xag s MET 326 CO 0.06 -1.22 2.03 -0.09 1.05 0.00 0.00 175.02 176.84 1xag h ARG 327 N 8.34 0.69 -1.15 4.11 2.43 -1.40 -3.46 114.38 123.95 1xag h ARG 327 Ca -0.18 -0.04 0.34 0.00 -0.81 0.00 0.00 59.98 59.29 1xag h ARG 327 Cb 1.06 -0.16 -0.17 0.00 -0.42 0.00 0.00 29.97 30.29 1xag h ARG 327 CO 0.87 0.46 0.94 1.14 -1.51 0.00 0.00 179.97 181.87 1xag s GLN 328 N -5.62 0.11 0.13 0.20 -2.07 -1.10 -4.66 119.66 106.66 1xag s GLN 328 Ca -0.09 -0.05 -0.35 0.00 -1.82 0.00 0.00 55.36 53.05 1xag s GLN 328 Cb 0.18 0.04 -0.16 0.00 -1.09 0.00 0.00 33.01 31.98 1xag s GLN 328 CO 0.75 -0.05 1.29 1.19 -1.32 0.00 0.00 175.29 177.15 1xag n PHE 329 N -0.24 1.50 0.00 9.60 3.72 -1.26 -0.10 117.46 130.68 1xag n PHE 329 Ca -0.02 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 58.00 1xag n PHE 329 Cb 0.60 -2.33 0.00 0.00 -0.94 0.00 0.00 39.48 36.81 1xag n PHE 329 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xag n GLY 330 N 2.36 2.97 2.88 1.37 0.00 -1.26 -4.91 105.19 108.60 1xag n GLY 330 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1xag n GLY 330 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xag s ASP 331 N -3.60 4.53 -0.14 1.61 2.15 0.85 -5.07 116.67 117.00 1xag s ASP 331 Ca 0.00 -3.59 -0.07 0.00 0.43 0.00 0.00 52.55 49.32 1xag s ASP 331 Cb 0.00 -1.57 -0.04 0.00 -0.30 0.00 0.00 42.92 41.01 1xag s ASP 331 CO 0.00 -0.13 0.12 -0.63 -0.17 0.00 0.00 175.17 174.36 1xag s ILE 332 N -1.07 5.29 0.11 4.11 1.01 -1.26 -0.93 121.20 128.46 1xag s ILE 332 Ca 0.23 0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.05 1xag s ILE 332 Cb -0.10 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1xag s ILE 332 CO -0.12 0.56 -0.10 0.68 0.00 0.00 0.00 174.94 175.96 1xag s VAL 333 N -0.58 0.96 -0.20 2.92 -7.23 -0.11 -4.95 120.40 111.22 1xag s VAL 333 Ca 0.12 -1.76 -0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1xag s VAL 333 Cb -0.12 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.34 1xag s VAL 333 CO 0.02 -0.63 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.34 1xag s VAL 334 N -2.77 2.42 0.20 1.32 1.01 -1.26 -0.92 120.40 120.40 1xag s VAL 334 Ca 0.09 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 1xag s VAL 334 Cb -0.01 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.34 1xag s VAL 334 CO -0.00 0.46 0.60 0.00 0.00 0.00 0.00 175.10 176.16 1xag s GLN 335 N 1.33 1.42 0.35 2.72 -2.07 -0.79 -4.96 119.66 117.66 1xag s GLN 335 Ca 0.04 -0.70 -0.28 0.00 -1.82 0.00 0.00 55.36 52.60 1xag s GLN 335 Cb -0.14 0.57 -0.10 0.00 -1.09 0.00 0.00 33.01 32.25 1xag s GLN 335 CO -0.10 -0.62 1.32 -1.58 -1.32 0.00 0.00 175.29 172.99 1xag s HIS 336 N -3.82 2.95 -0.07 9.60 5.65 -1.26 -0.91 115.29 127.42 1xag s HIS 336 Ca 0.05 1.39 -0.00 0.00 0.25 0.00 0.00 55.06 56.75 1xag s HIS 336 Cb -0.02 -3.71 0.02 0.00 -1.18 0.00 0.00 32.58 27.69 1xag s HIS 336 CO -0.06 -2.02 -0.04 0.08 -0.65 0.00 0.00 174.74 172.05 1xag s VAL 337 N -1.17 0.66 0.74 0.89 1.01 -0.12 -4.89 120.40 117.53 1xag s VAL 337 Ca 0.51 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 1xag s VAL 337 Cb -0.40 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.30 1xag s VAL 337 CO 0.53 0.29 1.12 1.51 0.00 0.00 0.00 175.10 178.54 1xag s ASP 338 N 1.48 4.52 0.47 3.32 1.47 -1.26 -4.37 116.67 122.31 1xag s ASP 338 Ca -0.01 1.98 0.31 0.00 1.18 0.00 0.00 52.55 56.01 1xag s ASP 338 Cb -0.13 -2.54 1.31 0.00 -0.34 0.00 0.00 42.92 41.22 1xag s ASP 338 CO -0.04 -2.03 1.93 0.06 0.68 0.00 0.00 175.17 175.77 1xag h GLN 339 N -0.69 0.00 0.27 2.11 3.07 -1.98 -1.67 115.11 116.21 1xag h GLN 339 Ca -0.45 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.28 1xag h GLN 339 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 1xag h GLN 339 CO 0.51 0.00 -0.13 1.25 0.09 0.00 0.00 178.83 180.55 1xag h LEU 340 N 0.00 -0.31 0.15 0.06 7.12 -1.99 0.22 115.31 120.56 1xag h LEU 340 Ca 0.00 -0.21 0.01 0.00 0.13 0.00 0.00 57.88 57.81 1xag h LEU 340 Cb 0.44 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.63 1xag h LEU 340 CO 0.00 0.08 -0.20 0.74 -0.13 0.00 0.00 178.44 178.92 1xag h THR 341 N -0.74 0.55 -0.69 1.05 2.02 -1.86 -1.88 112.91 111.35 1xag h THR 341 Ca -0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.25 1xag h THR 341 Cb 0.49 0.55 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 1xag h THR 341 CO 0.06 0.00 0.30 -0.07 0.37 0.00 0.00 175.52 176.18 1xag h LEU 342 N -0.41 0.33 -0.74 2.58 3.38 -1.34 -0.10 115.31 119.02 1xag h LEU 342 Ca 0.01 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xag h LEU 342 Cb 0.41 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1xag h LEU 342 CO -0.08 0.17 0.44 -0.61 0.09 0.00 0.00 178.44 178.45 1xag h GLN 343 N 0.49 1.00 -0.12 1.13 4.15 -0.61 -1.68 115.11 119.48 1xag h GLN 343 Ca 0.36 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.56 1xag h GLN 343 Cb 0.45 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1xag h GLN 343 CO -0.32 0.72 -0.47 0.45 -1.93 0.00 0.00 178.83 177.27 1xag h HIS 344 N 1.01 0.36 -0.76 3.99 3.86 -0.57 -1.63 115.15 121.40 1xag h HIS 344 Ca 0.26 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1xag h HIS 344 Cb -0.03 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 1xag h HIS 344 CO -0.01 0.72 0.34 0.00 0.86 0.00 0.00 177.93 179.84 1xag h ALA 345 N 1.26 1.16 0.00 2.45 0.00 -0.47 -1.39 119.26 122.28 1xag h ALA 345 Ca 0.01 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 1xag h ALA 345 Cb 0.93 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xag h ALA 345 CO 0.08 0.62 -0.99 0.00 0.00 0.00 0.00 179.25 178.96 1xag h GLU 347 N 0.31 0.60 -0.05 0.00 5.08 -1.08 -1.38 114.58 118.05 1xag h GLU 347 Ca -0.10 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1xag h GLU 347 Cb 1.64 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1xag h GLU 347 CO 0.18 0.63 -0.22 0.37 -1.00 0.00 0.00 179.01 178.96 1xag h GLN 348 N 0.57 0.24 -0.97 2.33 4.15 -1.25 -2.26 115.11 117.92 1xag h GLN 348 Ca 0.12 -0.19 0.08 0.00 0.77 0.00 0.00 58.65 59.43 1xag h GLN 348 Cb 0.36 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 1xag h GLN 348 CO 0.01 0.84 0.62 1.25 -1.93 0.00 0.00 178.83 179.62 1xag h LEU 349 N -0.30 0.97 -0.82 -2.39 5.85 -1.25 0.18 115.31 117.55 1xag h LEU 349 Ca -0.01 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1xag h LEU 349 Cb 0.88 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1xag h LEU 349 CO 0.05 0.59 0.40 0.50 -0.34 0.00 0.00 178.44 179.64 1xag h LYS 350 N 1.09 1.17 -0.34 1.25 3.64 -1.24 -2.93 116.57 119.21 1xag h LYS 350 Ca 0.44 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1xag h LYS 350 Cb 0.25 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 1xag h LYS 350 CO -0.20 0.90 -0.12 1.15 -2.27 0.00 0.00 179.45 178.91 1xag h THR 351 N 1.15 0.59 -0.86 1.00 2.02 -0.34 -0.28 112.91 116.19 1xag h THR 351 Ca 0.28 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.71 1xag h THR 351 Cb 0.11 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1xag h THR 351 CO -0.04 0.00 0.87 1.88 0.37 0.00 0.00 175.52 178.60 1xag h TYR 352 N -0.05 0.00 -0.02 3.16 0.05 -1.28 -3.52 116.97 115.32 1xag h TYR 352 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1xag h TYR 352 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1xag h TYR 352 CO -0.34 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 177.96