#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xr6 s GLN 2 N 0.00 0.15 -0.20 1.61 2.00 -0.24 -0.21 119.66 122.76 1xr6 s GLN 2 Ca 0.00 0.21 -0.29 0.00 -2.00 0.00 0.00 55.36 53.28 1xr6 s GLN 2 Cb 0.00 -0.89 -0.03 0.00 0.80 0.00 0.00 33.01 32.89 1xr6 s GLN 2 CO 0.00 -0.39 1.59 0.42 -0.50 0.00 0.00 175.29 176.41 1xr6 s ILE 3 N 2.10 3.74 -0.16 -2.34 1.01 -1.26 -0.67 121.20 123.62 1xr6 s ILE 3 Ca 0.04 0.84 0.12 0.00 0.00 0.00 0.00 60.65 61.66 1xr6 s ILE 3 Cb -0.13 -3.72 -0.23 0.00 0.01 0.00 0.00 42.46 38.39 1xr6 s ILE 3 CO -0.05 -0.27 0.19 2.29 0.00 0.00 0.00 174.94 177.11 1xr6 n LYS 4 N 7.52 0.67 -4.37 2.79 2.85 -0.44 -4.95 118.16 122.24 1xr6 n LYS 4 Ca 0.18 0.11 -0.21 0.00 -1.05 0.00 0.00 58.31 57.34 1xr6 n LYS 4 Cb 0.45 -1.60 -0.16 0.00 -0.65 0.00 0.00 35.03 33.07 1xr6 n LYS 4 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1xr6 s ILE 5 N -2.53 0.79 -0.23 0.58 -1.09 -1.20 -5.00 121.20 112.53 1xr6 s ILE 5 Ca -0.13 -0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 57.94 1xr6 s ILE 5 Cb 0.07 -0.74 0.11 0.00 -1.58 0.00 0.00 42.46 40.31 1xr6 s ILE 5 CO 0.79 0.27 0.24 -0.55 -1.23 0.00 0.00 174.94 174.46 1xr6 s SER 6 N 0.56 1.56 0.16 3.58 0.15 -1.26 -1.65 113.70 116.80 1xr6 s SER 6 Ca -0.09 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 1xr6 s SER 6 Cb -0.13 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 1xr6 s SER 6 CO 0.01 -0.35 0.07 -0.54 1.20 0.00 0.00 173.24 173.64 1xr6 s LYS 7 N 2.33 1.06 0.33 5.44 1.02 -0.62 -5.01 119.74 124.29 1xr6 s LYS 7 Ca 0.08 -1.53 -0.29 0.00 0.02 0.00 0.00 55.97 54.25 1xr6 s LYS 7 Cb -0.15 0.16 -0.11 0.00 -0.52 0.00 0.00 37.83 37.21 1xr6 s LYS 7 CO -0.20 -0.29 1.46 -1.58 -0.92 0.00 0.00 175.35 173.83 1xr6 s HIS 8 N -4.02 2.77 0.19 3.18 5.65 -1.26 -1.16 115.29 120.64 1xr6 s HIS 8 Ca 0.29 1.12 -0.12 0.00 0.25 0.00 0.00 55.06 56.61 1xr6 s HIS 8 Cb 0.07 -3.93 0.11 0.00 -1.18 0.00 0.00 32.58 27.65 1xr6 s HIS 8 CO 0.06 -2.83 1.84 0.00 -0.65 0.00 0.00 174.74 173.16 1xr6 h ALA 9 N 3.72 0.83 -0.01 1.58 0.00 -1.60 -2.34 119.26 121.44 1xr6 h ALA 9 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1xr6 h ALA 9 Cb 1.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xr6 h ALA 9 CO 0.69 0.28 0.03 -0.91 0.00 0.00 0.00 179.25 179.35 1xr6 h ASN 10 N 0.89 0.00 0.97 0.00 -0.26 -1.75 -0.66 115.58 114.76 1xr6 h ASN 10 Ca 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 1xr6 h ASN 10 Cb -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1xr6 h ASN 10 CO -0.05 0.00 -0.20 1.21 -1.06 0.00 0.00 177.43 177.33 1xr6 n GLU 11 N -3.33 0.10 -0.65 0.81 2.13 -0.88 -3.82 120.64 115.00 1xr6 n GLU 11 Ca -0.03 0.06 0.06 0.00 0.66 0.00 0.00 57.16 57.91 1xr6 n GLU 11 Cb 0.11 -1.59 0.17 0.00 0.27 0.00 0.00 31.44 30.40 1xr6 n GLU 11 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xr6 n GLY 13 N -0.93 0.12 3.04 0.00 0.00 -1.13 -5.02 105.19 101.26 1xr6 n GLY 13 Ca 0.17 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1xr6 n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xr6 s LEU 14 N -2.17 2.25 0.60 0.99 1.43 -0.68 -5.02 118.68 116.08 1xr6 s LEU 14 Ca 0.00 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 1xr6 s LEU 14 Cb 0.00 -0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 1xr6 s LEU 14 CO 0.00 -0.23 1.03 -2.16 0.23 0.00 0.00 176.35 175.22 1xr6 s PRO 15 N -1.52 3.56 0.16 1.29 0.04 -1.26 -2.30 135.00 134.96 1xr6 s PRO 15 Ca -0.11 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 1xr6 s PRO 15 Cb -0.10 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 1xr6 s PRO 15 CO -0.00 -0.60 1.31 0.99 0.04 0.00 0.00 177.00 178.74 1xr6 s THR 16 N -2.94 3.34 0.12 1.26 2.01 -1.26 -4.83 115.64 113.35 1xr6 s THR 16 Ca 0.57 1.05 -0.08 0.00 0.31 0.00 0.00 61.69 63.54 1xr6 s THR 16 Cb -0.12 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 1xr6 s THR 16 CO 0.46 0.13 0.41 -0.63 -0.69 0.00 0.00 174.62 174.30 1xr6 s ILE 17 N 0.48 5.09 -0.32 1.82 -1.09 0.16 -4.99 121.20 122.35 1xr6 s ILE 17 Ca 0.59 0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 59.26 1xr6 s ILE 17 Cb -0.36 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 36.91 1xr6 s ILE 17 CO 0.35 0.17 0.11 -1.00 -1.23 0.00 0.00 174.94 173.34 1xr6 s HIS 18 N -1.53 3.20 -0.01 3.97 3.76 -1.26 -4.25 115.29 119.17 1xr6 s HIS 18 Ca 0.37 -1.12 -0.22 0.00 -0.15 0.00 0.00 55.06 53.94 1xr6 s HIS 18 Cb -0.13 -2.29 -0.05 0.00 1.11 0.00 0.00 32.58 31.22 1xr6 s HIS 18 CO 0.20 -0.64 0.65 -0.08 -0.85 0.00 0.00 174.74 174.03 1xr6 s THR 19 N 1.48 4.91 -0.00 1.30 -1.32 -1.26 -5.03 115.64 115.71 1xr6 s THR 19 Ca 0.01 1.36 -0.30 0.00 -1.21 0.00 0.00 61.69 61.55 1xr6 s THR 19 Cb -0.18 -3.99 -0.06 0.00 -1.51 0.00 0.00 72.50 66.75 1xr6 s THR 19 CO 0.03 0.37 1.56 -2.16 -2.21 0.00 0.00 174.62 172.21 1xr6 s PRO 20 N 0.09 4.22 -0.15 7.08 0.04 -1.26 -4.89 135.00 140.13 1xr6 s PRO 20 Ca 0.34 2.15 0.15 0.00 0.04 0.00 0.00 61.00 63.68 1xr6 s PRO 20 Cb -0.18 -3.73 0.55 0.00 0.04 0.00 0.00 34.50 31.18 1xr6 s PRO 20 CO 0.18 -0.72 1.46 -1.13 0.04 0.00 0.00 177.00 176.83 1xr6 n SER 21 N 6.08 4.05 -3.88 6.66 3.41 -1.26 -4.94 113.62 123.74 1xr6 n SER 21 Ca 0.15 -2.76 -0.25 0.00 -0.26 0.00 0.00 58.87 55.76 1xr6 n SER 21 Cb 0.42 -0.51 -0.17 0.00 -0.26 0.00 0.00 64.21 63.69 1xr6 n SER 21 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xr6 s LYS 22 N -2.38 1.19 0.44 4.33 1.02 -1.26 -4.49 119.74 118.59 1xr6 s LYS 22 Ca 0.41 -0.15 -0.24 0.00 0.02 0.00 0.00 55.97 56.01 1xr6 s LYS 22 Cb 0.31 -1.29 -0.08 0.00 -0.52 0.00 0.00 37.83 36.25 1xr6 s LYS 22 CO 0.13 -0.22 1.27 -0.08 -0.92 0.00 0.00 175.35 175.52 1xr6 s THR 23 N 1.57 2.69 -1.03 2.17 -1.32 -1.26 -4.94 115.64 113.51 1xr6 s THR 23 Ca 0.01 0.57 0.25 0.00 -1.21 0.00 0.00 61.69 61.31 1xr6 s THR 23 Cb -0.13 -3.32 0.03 0.00 -1.51 0.00 0.00 72.50 67.57 1xr6 s THR 23 CO -0.05 0.05 1.44 0.29 -2.21 0.00 0.00 174.62 174.14 1xr6 n LYS 24 N -0.21 0.04 -2.28 7.08 5.02 -1.26 -4.93 118.16 121.61 1xr6 n LYS 24 Ca 0.06 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1xr6 n LYS 24 Cb 0.45 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1xr6 n LYS 24 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xr6 s LEU 25 N -2.98 4.37 0.00 -0.35 1.43 -1.26 -4.23 118.68 115.67 1xr6 s LEU 25 Ca 0.12 2.20 0.01 0.00 -1.03 0.00 0.00 54.13 55.42 1xr6 s LEU 25 Cb 0.18 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.81 1xr6 s LEU 25 CO 0.69 -0.56 -0.02 -1.58 0.23 0.00 0.00 176.35 175.10 1xr6 s GLN 26 N 0.99 0.19 0.08 1.70 2.00 -0.25 -4.94 119.66 119.43 1xr6 s GLN 26 Ca 0.61 -0.16 -0.37 0.00 -2.00 0.00 0.00 55.36 53.45 1xr6 s GLN 26 Cb -0.34 -0.13 -0.17 0.00 0.80 0.00 0.00 33.01 33.17 1xr6 s GLN 26 CO 0.30 0.03 1.34 -2.30 -0.50 0.00 0.00 175.29 174.17 1xr6 n PRO 27 N 2.81 1.11 -2.29 1.67 -0.02 -1.26 -1.19 135.00 135.83 1xr6 n PRO 27 Ca -0.14 0.40 -0.26 0.00 -2.02 0.00 0.00 63.50 61.48 1xr6 n PRO 27 Cb 0.59 -2.04 0.10 0.00 -0.02 0.00 0.00 33.50 32.13 1xr6 n PRO 27 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xr6 s SER 28 N 0.53 4.33 0.11 2.55 1.04 0.00 -4.77 113.70 117.49 1xr6 s SER 28 Ca 0.85 0.13 0.13 0.00 0.48 0.00 0.00 55.95 57.54 1xr6 s SER 28 Cb -0.97 -0.58 0.60 0.00 0.10 0.00 0.00 66.02 65.18 1xr6 s SER 28 CO 0.47 -1.89 1.41 0.55 0.98 0.00 0.00 173.24 174.76 1xr6 n VAL 29 N -3.04 1.27 0.29 5.02 3.14 -1.26 -1.98 118.33 121.77 1xr6 n VAL 29 Ca 0.12 0.40 0.11 0.00 -2.96 0.00 0.00 64.34 62.01 1xr6 n VAL 29 Cb 0.60 -1.30 0.19 0.00 -1.06 0.00 0.00 33.84 32.27 1xr6 n VAL 29 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1xr6 n PHE 30 N -1.77 0.44 -0.17 1.45 3.72 -1.26 -4.69 117.46 115.17 1xr6 n PHE 30 Ca 0.01 -0.24 -0.02 0.00 -0.05 0.00 0.00 57.45 57.15 1xr6 n PHE 30 Cb 0.11 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.70 1xr6 n PHE 30 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1xr6 h TYR 31 N 4.10 -0.22 -0.00 1.38 5.03 -1.55 -1.55 116.97 124.16 1xr6 h TYR 31 Ca 0.00 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1xr6 h TYR 31 Cb 0.93 0.18 0.00 0.00 1.55 0.00 0.00 36.73 39.39 1xr6 h TYR 31 CO 0.22 -0.21 -0.22 -0.25 -1.32 0.00 0.00 178.16 176.38 1xr6 n ASP 32 N -5.35 0.26 0.07 -2.11 10.43 -1.26 -4.02 116.55 114.57 1xr6 n ASP 32 Ca 0.06 0.08 -0.13 0.00 2.57 0.00 0.00 54.79 57.36 1xr6 n ASP 32 Cb 0.29 -0.14 -0.14 0.00 1.84 0.00 0.00 41.12 42.97 1xr6 n ASP 32 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1xr6 h VAL 33 N 0.06 1.39 -3.39 2.53 2.07 -1.59 -3.46 116.25 113.86 1xr6 h VAL 33 Ca 0.00 -3.04 -0.66 0.00 0.82 0.00 0.00 66.70 63.83 1xr6 h VAL 33 Cb 0.49 2.82 -0.18 0.00 -1.52 0.00 0.00 31.29 32.90 1xr6 h VAL 33 CO 0.00 0.86 -0.80 -0.36 0.02 0.00 0.00 177.57 177.29 1xr6 s PHE 34 N -2.65 2.45 0.46 1.57 0.40 -1.04 -5.05 117.98 114.12 1xr6 s PHE 34 Ca -0.04 -0.30 -0.17 0.00 -0.60 0.00 0.00 56.93 55.82 1xr6 s PHE 34 Cb 0.08 -1.25 -0.09 0.00 0.51 0.00 0.00 43.02 42.27 1xr6 s PHE 34 CO 0.85 0.45 0.93 -1.25 0.70 0.00 0.00 175.22 176.90 1xr6 s PRO 35 N -2.48 4.02 0.00 0.24 0.04 -1.26 -4.87 135.00 130.68 1xr6 s PRO 35 Ca 0.20 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1xr6 s PRO 35 Cb -0.09 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1xr6 s PRO 35 CO 0.11 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1xr6 n GLY 36 N -1.16 1.51 0.00 0.56 0.00 -1.26 -4.32 105.19 100.52 1xr6 n GLY 36 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1xr6 n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xr6 n SER 37 N 0.00 0.01 -4.78 1.61 3.41 -1.26 -5.10 113.62 107.51 1xr6 n SER 37 Ca 0.00 -1.01 -0.36 0.00 -0.26 0.00 0.00 58.87 57.25 1xr6 n SER 37 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1xr6 n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xr6 s LYS 38 N -0.01 3.98 0.15 4.33 1.02 -1.26 -4.21 119.74 123.74 1xr6 s LYS 38 Ca 0.00 1.51 0.05 0.00 0.02 0.00 0.00 55.97 57.55 1xr6 s LYS 38 Cb 0.00 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 1xr6 s LYS 38 CO 0.00 -0.31 -0.10 -1.21 -0.92 0.00 0.00 175.35 172.81 1xr6 s GLU 39 N -2.75 1.07 0.54 1.68 2.02 -0.58 -4.89 118.70 115.78 1xr6 s GLU 39 Ca 0.62 -1.46 -0.21 0.00 0.02 0.00 0.00 54.97 53.94 1xr6 s GLU 39 Cb -0.22 -0.63 -0.06 0.00 0.10 0.00 0.00 34.13 33.33 1xr6 s GLU 39 CO 0.27 0.08 1.21 -2.30 0.02 0.00 0.00 175.26 174.54 1xr6 n PRO 40 N -0.20 1.46 -2.07 0.39 -0.02 -1.26 -1.04 135.00 132.26 1xr6 n PRO 40 Ca -0.10 0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 1xr6 n PRO 40 Cb 0.61 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1xr6 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xr6 s ALA 41 N -1.34 2.60 0.30 3.55 0.00 -0.31 -4.78 121.76 121.78 1xr6 s ALA 41 Ca 0.71 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 53.16 1xr6 s ALA 41 Cb -0.44 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.20 1xr6 s ALA 41 CO 0.50 -0.99 1.56 0.08 0.00 0.00 0.00 175.76 176.90 1xr6 s VAL 42 N -1.90 2.15 0.00 0.00 1.01 -1.26 -4.90 120.40 115.51 1xr6 s VAL 42 Ca 0.72 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1xr6 s VAL 42 Cb -0.24 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1xr6 s VAL 42 CO 0.32 0.02 0.29 0.18 0.00 0.00 0.00 175.10 175.91 1xr6 n LEU 43 N 1.96 0.54 -4.07 3.92 4.77 -1.26 -4.80 117.00 118.06 1xr6 n LEU 43 Ca 0.07 -0.54 -0.07 0.00 -0.03 0.00 0.00 56.01 55.43 1xr6 n LEU 43 Cb 0.38 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 1xr6 n LEU 43 CO 0.63 0.14 -0.34 -0.89 -1.33 0.00 0.00 177.39 175.59 1xr6 s THR 44 N -0.04 0.20 0.22 -5.08 2.01 -1.26 -4.63 115.64 107.06 1xr6 s THR 44 Ca 0.00 -1.69 0.02 0.00 0.31 0.00 0.00 61.69 60.33 1xr6 s THR 44 Cb 0.00 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 1xr6 s THR 44 CO 0.00 -0.93 1.53 0.44 -0.69 0.00 0.00 174.62 174.97 1xr6 h ASP 45 N 3.27 0.37 -0.75 3.53 5.19 -1.98 -3.35 116.42 122.70 1xr6 h ASP 45 Ca -0.34 -0.21 -0.44 0.00 -0.62 0.00 0.00 57.03 55.42 1xr6 h ASP 45 Cb 1.15 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.49 1xr6 h ASP 45 CO 0.63 0.89 1.25 0.20 -3.12 0.00 0.00 179.24 179.09 1xr6 s ASN 46 N -6.91 5.69 -0.20 6.45 0.01 -1.26 -4.91 114.94 113.80 1xr6 s ASN 46 Ca -0.05 -1.44 -0.04 0.00 -0.71 0.00 0.00 52.86 50.63 1xr6 s ASN 46 Cb 0.12 -2.57 0.10 0.00 0.41 0.00 0.00 41.25 39.30 1xr6 s ASN 46 CO 0.81 -2.31 0.27 -0.62 -1.51 0.00 0.00 177.10 173.74 1xr6 s ASP 47 N 6.28 0.88 0.39 -1.22 -1.08 -1.26 -5.02 116.67 115.64 1xr6 s ASP 47 Ca 0.62 0.04 0.21 0.00 -0.52 0.00 0.00 52.55 52.90 1xr6 s ASP 47 Cb -0.02 0.65 1.23 0.00 -1.46 0.00 0.00 42.92 43.32 1xr6 s ASP 47 CO 0.03 -0.31 1.66 -0.65 0.52 0.00 0.00 175.17 176.43 1xr6 h PRO 48 N 8.27 0.23 0.00 4.34 0.11 -1.95 -1.66 132.00 141.33 1xr6 h PRO 48 Ca -0.17 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.88 1xr6 h PRO 48 Cb 1.15 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1xr6 h PRO 48 CO 0.26 0.15 -0.23 0.00 -0.21 0.00 0.00 178.00 177.97 1xr6 h ARG 49 N 0.23 0.00 -7.03 1.05 -0.00 -1.95 -3.46 114.38 103.22 1xr6 h ARG 49 Ca 0.75 0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 59.67 1xr6 h ARG 49 Cb 1.99 0.00 0.15 0.00 0.00 0.00 0.00 29.97 32.11 1xr6 h ARG 49 CO -0.49 0.23 0.55 1.28 0.00 0.00 0.00 179.97 181.54 1xr6 n LEU 50 N -3.49 5.50 0.00 3.04 4.77 -0.63 -4.26 117.00 121.94 1xr6 n LEU 50 Ca -0.00 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 1xr6 n LEU 50 Cb 0.40 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1xr6 n LEU 50 CO 0.33 -0.75 0.28 0.29 -1.33 0.00 0.00 177.39 176.21 1xr6 n LYS 51 N -1.18 0.62 -4.20 3.23 5.02 -0.84 -5.00 118.16 115.80 1xr6 n LYS 51 Ca 0.12 -0.67 -0.12 0.00 -2.02 0.00 0.00 58.31 55.62 1xr6 n LYS 51 Cb 0.45 -0.62 -0.10 0.00 -0.02 0.00 0.00 35.03 34.74 1xr6 n LYS 51 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xr6 s VAL 52 N -0.22 0.24 0.15 -0.18 1.01 -1.22 -4.99 120.40 115.19 1xr6 s VAL 52 Ca 0.00 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 59.72 1xr6 s VAL 52 Cb 0.00 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 1xr6 s VAL 52 CO 0.00 -0.28 1.19 0.21 0.00 0.00 0.00 175.10 176.22 1xr6 s ASN 53 N -3.14 7.09 -0.01 3.32 2.47 -1.26 -4.91 114.94 118.50 1xr6 s ASN 53 Ca 0.30 2.17 -0.22 0.00 0.42 0.00 0.00 52.86 55.53 1xr6 s ASN 53 Cb 0.07 -2.60 -0.22 0.00 -1.45 0.00 0.00 41.25 37.06 1xr6 s ASN 53 CO 0.06 -0.39 1.12 0.15 -3.72 0.00 0.00 177.10 174.32 1xr6 h PHE 54 N 5.69 0.45 -0.83 0.43 -0.00 -1.94 -3.01 116.94 117.74 1xr6 h PHE 54 Ca -0.44 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.97 57.28 1xr6 h PHE 54 Cb 1.21 -0.06 -0.04 0.00 -0.00 0.00 0.00 35.95 37.07 1xr6 h PHE 54 CO 0.64 1.00 0.39 0.87 -0.00 0.00 0.00 178.31 181.21 1xr6 h LYS 55 N -0.23 1.19 -0.63 1.11 1.79 -1.96 -2.34 116.57 115.49 1xr6 h LYS 55 Ca -0.04 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.22 1xr6 h LYS 55 Cb 1.08 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.49 1xr6 h LYS 55 CO 0.08 0.92 0.25 0.93 -1.08 0.00 0.00 179.45 180.55 1xr6 h GLU 56 N 1.18 0.95 -0.82 3.15 5.08 -1.99 -3.06 114.58 119.07 1xr6 h GLU 56 Ca 0.28 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1xr6 h GLU 56 Cb 0.12 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1xr6 h GLU 56 CO -0.04 0.80 0.39 0.00 -1.00 0.00 0.00 179.01 179.17 1xr6 h ALA 57 N 1.10 1.05 -0.25 3.43 0.00 -1.29 -1.62 119.26 121.67 1xr6 h ALA 57 Ca 0.21 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xr6 h ALA 57 Cb 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xr6 h ALA 57 CO -0.02 0.62 -0.17 -0.07 0.00 0.00 0.00 179.25 179.61 1xr6 h LEU 58 N 1.16 0.43 -1.22 0.00 3.38 -1.34 -3.19 115.31 114.53 1xr6 h LEU 58 Ca 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xr6 h LEU 58 Cb 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xr6 h LEU 58 CO -0.04 0.63 -0.34 0.49 0.09 0.00 0.00 178.44 179.28 1xr6 n PHE 59 N -4.18 0.00 0.32 1.13 3.72 -1.10 -4.17 117.46 113.18 1xr6 n PHE 59 Ca 0.00 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.56 1xr6 n PHE 59 Cb 0.34 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.55 1xr6 n PHE 59 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xr6 h SER 60 N 2.90 0.00 -1.17 4.37 4.64 -1.28 -1.93 113.55 121.08 1xr6 h SER 60 Ca 0.00 0.00 0.36 0.00 -0.47 0.00 0.00 61.79 61.68 1xr6 h SER 60 Cb 0.78 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.75 1xr6 h SER 60 CO 0.00 0.00 0.74 0.50 -0.87 0.00 0.00 176.83 177.20 1xr6 h LYS 61 N 0.00 0.21 -3.69 4.77 3.64 -1.75 -3.24 116.57 116.51 1xr6 h LYS 61 Ca 0.00 -0.01 -0.79 0.00 -1.27 0.00 0.00 60.65 58.57 1xr6 h LYS 61 Cb 0.40 -0.05 -0.27 0.00 -0.41 0.00 0.00 32.23 31.90 1xr6 h LYS 61 CO 0.00 0.14 0.26 0.71 -2.27 0.00 0.00 179.45 178.29 1xr6 s TYR 62 N -5.43 4.01 0.04 1.91 2.02 -0.72 -4.65 117.35 114.54 1xr6 s TYR 62 Ca -0.08 -2.35 0.06 0.00 -0.37 0.00 0.00 57.07 54.32 1xr6 s TYR 62 Cb 0.29 -3.82 -0.23 0.00 -0.40 0.00 0.00 41.96 37.80 1xr6 s TYR 62 CO 0.81 -0.97 0.97 0.87 -1.57 0.00 0.00 175.55 175.66 1xr6 h LYS 63 N 7.21 0.06 0.00 -0.62 1.57 -1.46 -3.43 116.57 119.90 1xr6 h LYS 63 Ca 0.14 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1xr6 h LYS 63 Cb 0.96 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1xr6 h LYS 63 CO 0.88 0.86 0.00 0.41 -0.57 0.00 0.00 179.45 181.03 1xr6 n GLY 64 N 1.49 3.51 3.68 3.86 0.00 0.71 -4.96 105.19 113.48 1xr6 n GLY 64 Ca -0.10 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 1xr6 n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xr6 s ASN 65 N 0.00 5.24 0.74 1.61 0.01 -1.26 -3.83 114.94 117.46 1xr6 s ASN 65 Ca 0.00 0.14 -0.11 0.00 -0.71 0.00 0.00 52.86 52.18 1xr6 s ASN 65 Cb 0.00 -1.49 0.04 0.00 0.41 0.00 0.00 41.25 40.20 1xr6 s ASN 65 CO 0.00 0.37 1.08 -0.89 -1.51 0.00 0.00 177.10 176.15 1xr6 s THR 66 N -0.83 3.59 -0.42 1.60 2.01 -1.26 -5.00 115.64 115.33 1xr6 s THR 66 Ca 0.13 0.52 -0.27 0.00 0.31 0.00 0.00 61.69 62.37 1xr6 s THR 66 Cb -0.11 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1xr6 s THR 66 CO 0.02 -0.68 1.03 -0.70 -0.69 0.00 0.00 174.62 173.60 1xr6 s GLU 67 N -5.06 3.77 0.13 4.92 2.56 -1.26 -5.00 118.70 118.76 1xr6 s GLU 67 Ca 0.59 0.56 -0.21 0.00 0.00 0.00 0.00 54.97 55.92 1xr6 s GLU 67 Cb -0.15 -3.86 0.06 0.00 2.00 0.00 0.00 34.13 32.18 1xr6 s GLU 67 CO 0.55 -1.16 0.52 0.00 -0.56 0.00 0.00 175.26 174.61 1xr6 s SER 69 N -2.67 2.95 -0.59 0.00 0.15 -1.26 -4.90 113.70 107.39 1xr6 s SER 69 Ca 0.01 -1.02 -0.26 0.00 0.70 0.00 0.00 55.95 55.38 1xr6 s SER 69 Cb 0.00 -0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.07 1xr6 s SER 69 CO -0.11 -0.09 2.11 -0.22 1.20 0.00 0.00 173.24 176.13 1xr6 s LEU 70 N -3.36 3.31 0.63 3.45 0.20 -1.26 -4.95 118.68 116.71 1xr6 s LEU 70 Ca 0.25 0.57 -0.02 0.00 0.69 0.00 0.00 54.13 55.61 1xr6 s LEU 70 Cb -0.03 -2.52 0.05 0.00 -0.43 0.00 0.00 46.19 43.27 1xr6 s LEU 70 CO 0.10 -2.66 0.90 0.54 -0.29 0.00 0.00 176.35 174.93 1xr6 s ASN 71 N 9.86 5.00 0.24 3.68 2.20 -1.26 -4.91 114.94 129.75 1xr6 s ASN 71 Ca 0.80 0.17 -0.05 0.00 -0.94 0.00 0.00 52.86 52.84 1xr6 s ASN 71 Cb -0.14 -0.91 0.46 0.00 -2.00 0.00 0.00 41.25 38.65 1xr6 s ASN 71 CO 0.21 -1.40 1.69 -0.61 -2.94 0.00 0.00 177.10 174.05 1xr6 h GLN 72 N -0.27 0.28 -0.87 3.55 4.15 -2.00 -1.99 115.11 117.97 1xr6 h GLN 72 Ca -0.43 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 1xr6 h GLN 72 Cb 1.30 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.89 1xr6 h GLN 72 CO 0.55 0.18 0.46 0.45 -1.93 0.00 0.00 178.83 178.54 1xr6 h HIS 73 N 0.28 1.21 -0.74 3.99 3.86 -1.95 -1.66 115.15 120.15 1xr6 h HIS 73 Ca 0.41 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.57 1xr6 h HIS 73 Cb 0.70 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1xr6 h HIS 73 CO -0.25 0.85 0.39 0.52 0.86 0.00 0.00 177.93 180.30 1xr6 h MET 74 N 1.22 1.03 -0.71 2.45 2.86 -1.74 -1.47 114.93 118.58 1xr6 h MET 74 Ca 0.30 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.86 1xr6 h MET 74 Cb 0.06 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.47 1xr6 h MET 74 CO -0.05 0.78 0.42 0.93 1.06 0.00 0.00 176.91 180.05 1xr6 h GLU 75 N 1.02 0.76 -0.42 1.72 5.08 -0.64 0.74 114.58 122.84 1xr6 h GLU 75 Ca 0.26 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1xr6 h GLU 75 Cb 0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1xr6 h GLU 75 CO -0.04 0.50 -0.19 0.82 -1.00 0.00 0.00 179.01 179.10 1xr6 h ILE 76 N 0.78 1.27 -0.45 3.13 2.04 -1.21 -2.47 117.51 120.60 1xr6 h ILE 76 Ca 0.31 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 1xr6 h ILE 76 Cb 0.14 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1xr6 h ILE 76 CO -0.16 0.44 0.21 0.00 0.00 0.00 0.00 178.15 178.64 1xr6 h ALA 77 N 1.06 0.58 -0.31 1.87 0.00 -0.36 -0.98 119.26 121.12 1xr6 h ALA 77 Ca 0.10 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1xr6 h ALA 77 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xr6 h ALA 77 CO 0.05 0.15 -0.30 -0.84 0.00 0.00 0.00 179.25 178.32 1xr6 h ILE 78 N 0.58 1.28 -0.53 0.00 -0.00 -0.83 -1.48 117.51 116.53 1xr6 h ILE 78 Ca 0.15 -1.41 -0.05 0.00 -0.00 0.00 0.00 64.86 63.55 1xr6 h ILE 78 Cb 0.14 1.36 -0.02 0.00 -0.00 0.00 0.00 36.82 38.30 1xr6 h ILE 78 CO -0.02 0.46 0.15 0.00 -0.00 0.00 0.00 178.15 178.74 1xr6 h ALA 79 N 1.11 0.70 -0.35 0.16 0.00 -1.22 -0.53 119.26 119.13 1xr6 h ALA 79 Ca 0.07 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1xr6 h ALA 79 Cb 0.79 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1xr6 h ALA 79 CO 0.06 0.38 -0.17 1.25 0.00 0.00 0.00 179.25 180.78 1xr6 h HIS 80 N 0.74 0.85 -0.10 0.00 -0.00 -1.04 -2.29 115.15 113.33 1xr6 h HIS 80 Ca 0.17 -0.21 -0.14 0.00 -0.00 0.00 0.00 60.37 60.19 1xr6 h HIS 80 Cb 0.31 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1xr6 h HIS 80 CO 0.02 0.94 -0.57 -0.92 -0.00 0.00 0.00 177.93 177.40 1xr6 h TYR 81 N 0.52 0.37 -0.35 5.26 3.20 -1.20 -3.05 116.97 121.73 1xr6 h TYR 81 Ca 0.08 -0.13 -0.12 0.00 3.14 0.00 0.00 58.73 61.70 1xr6 h TYR 81 Cb 0.71 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1xr6 h TYR 81 CO 0.06 0.79 -0.26 0.77 -1.64 0.00 0.00 178.16 177.88 1xr6 h SER 82 N 0.22 0.72 -0.40 -2.11 0.02 -0.99 -2.32 113.55 108.69 1xr6 h SER 82 Ca -0.00 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 1xr6 h SER 82 Cb 1.06 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 1xr6 h SER 82 CO 0.09 0.95 0.09 0.00 -1.14 0.00 0.00 176.83 176.82 1xr6 h ALA 83 N 1.10 0.53 -0.48 3.77 0.00 -1.36 0.98 119.26 123.80 1xr6 h ALA 83 Ca 0.08 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1xr6 h ALA 83 Cb 0.75 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1xr6 h ALA 83 CO 0.06 0.21 0.03 1.96 0.00 0.00 0.00 179.25 181.51 1xr6 h GLN 84 N 0.50 0.14 0.00 0.00 4.20 -1.41 -2.73 115.11 115.81 1xr6 h GLN 84 Ca 0.12 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 1xr6 h GLN 84 Cb 0.32 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1xr6 h GLN 84 CO 0.00 0.10 -0.63 -0.07 -0.67 0.00 0.00 178.83 177.56 1xr6 h LEU 85 N 0.15 0.00 -1.71 1.46 3.38 -0.87 -2.65 115.31 115.07 1xr6 h LEU 85 Ca 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1xr6 h LEU 85 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1xr6 h LEU 85 CO -0.37 0.63 -0.17 0.40 0.09 0.00 0.00 178.44 179.02 1xr6 h ILE 86 N 0.00 1.01 -0.33 1.22 2.04 -0.53 -2.57 117.51 118.35 1xr6 h ILE 86 Ca -0.01 -0.60 0.10 0.00 1.00 0.00 0.00 64.86 65.35 1xr6 h ILE 86 Cb 1.13 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1xr6 h ILE 86 CO 0.08 0.16 0.30 0.74 0.00 0.00 0.00 178.15 179.44 1xr6 h THR 87 N 0.00 0.55 0.00 -0.27 2.02 -1.21 -2.76 112.91 111.24 1xr6 h THR 87 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xr6 h THR 87 Cb 0.32 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1xr6 h THR 87 CO 0.02 0.00 -0.40 0.18 0.37 0.00 0.00 175.52 175.69 1xr6 n LEU 88 N -3.99 0.60 -3.39 2.58 4.77 -0.97 -4.98 117.00 111.62 1xr6 n LEU 88 Ca 0.05 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 56.14 1xr6 n LEU 88 Cb 0.46 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1xr6 n LEU 88 CO 0.31 -0.04 0.05 -0.67 -1.33 0.00 0.00 177.39 175.71 1xr6 n ASP 89 N -1.94 -6.36 -4.75 -1.43 2.03 -1.04 -4.93 116.55 98.12 1xr6 n ASP 89 Ca 0.05 -0.67 -0.40 0.00 0.52 0.00 0.00 54.79 54.29 1xr6 n ASP 89 Cb 0.40 -4.30 -0.06 0.00 -0.72 0.00 0.00 41.12 36.44 1xr6 n ASP 89 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1xr6 s ILE 90 N -3.27 4.04 -0.43 5.18 1.01 -1.26 -5.00 121.20 121.47 1xr6 s ILE 90 Ca 0.30 2.03 -0.29 0.00 0.00 0.00 0.00 60.65 62.69 1xr6 s ILE 90 Cb -0.08 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.12 1xr6 s ILE 90 CO 0.80 0.47 1.18 -0.62 0.00 0.00 0.00 174.94 176.77 1xr6 s ASP 91 N -1.06 6.64 0.00 3.58 3.68 -1.26 -4.90 116.67 123.34 1xr6 s ASP 91 Ca 0.42 0.67 0.29 0.00 2.13 0.00 0.00 52.55 56.06 1xr6 s ASP 91 Cb -0.26 -2.55 1.35 0.00 -1.45 0.00 0.00 42.92 40.01 1xr6 s ASP 91 CO 0.33 -1.21 1.95 -1.54 0.13 0.00 0.00 175.17 174.83 1xr6 n SER 92 N 7.82 0.14 -4.74 -0.34 3.41 -1.26 -4.61 113.62 114.04 1xr6 n SER 92 Ca 0.13 -0.13 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1xr6 n SER 92 Cb 0.48 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 64.23 1xr6 n SER 92 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xr6 s LYS 93 N -2.65 2.88 0.76 4.33 1.02 -1.26 -4.78 119.74 120.04 1xr6 s LYS 93 Ca 0.25 2.05 -0.11 0.00 0.02 0.00 0.00 55.97 58.18 1xr6 s LYS 93 Cb 0.20 -2.02 0.05 0.00 -0.52 0.00 0.00 37.83 35.54 1xr6 s LYS 93 CO 0.49 -1.33 1.09 -1.25 -0.92 0.00 0.00 175.35 173.43 1xr6 s PRO 94 N -3.19 2.31 0.50 -1.68 0.04 -1.26 -4.73 135.00 126.98 1xr6 s PRO 94 Ca 0.77 1.19 0.06 0.00 0.04 0.00 0.00 61.00 63.06 1xr6 s PRO 94 Cb -0.36 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1xr6 s PRO 94 CO 0.40 -1.61 0.69 0.96 0.04 0.00 0.00 177.00 177.48 1xr6 s ILE 95 N -2.84 2.74 0.49 0.56 -4.36 -0.49 -5.03 121.20 112.26 1xr6 s ILE 95 Ca 0.62 -0.88 -0.12 0.00 -0.26 0.00 0.00 60.65 60.02 1xr6 s ILE 95 Cb -0.17 -2.86 -0.06 0.00 1.25 0.00 0.00 42.46 40.62 1xr6 s ILE 95 CO 0.54 0.00 0.88 0.00 0.24 0.00 0.00 174.94 176.61 1xr6 s ALA 96 N -2.56 3.23 0.24 2.27 0.00 -1.26 -4.79 121.76 118.89 1xr6 s ALA 96 Ca 0.57 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 1xr6 s ALA 96 Cb -0.09 -2.88 0.34 0.00 0.00 0.00 0.00 23.12 20.49 1xr6 s ALA 96 CO 0.36 -0.25 1.86 1.25 0.00 0.00 0.00 175.76 178.97 1xr6 h LEU 97 N 0.71 0.87 -0.91 0.00 5.85 -1.97 -1.87 115.31 117.99 1xr6 h LEU 97 Ca -0.46 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 1xr6 h LEU 97 Cb 1.19 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1xr6 h LEU 97 CO 0.62 0.56 -0.09 1.05 -0.34 0.00 0.00 178.44 180.25 1xr6 h GLU 98 N 1.01 0.71 0.00 1.25 9.09 -1.99 -2.45 114.58 122.19 1xr6 h GLU 98 Ca 0.38 -0.22 -0.15 0.00 0.05 0.00 0.00 59.36 59.43 1xr6 h GLU 98 Cb 0.16 -0.07 -0.02 0.00 -1.65 0.00 0.00 28.75 27.17 1xr6 h GLU 98 CO -0.17 0.78 -0.70 -0.44 0.05 0.00 0.00 179.01 178.53 1xr6 h ASP 99 N 0.65 0.00 1.07 3.06 3.45 -1.74 -0.18 116.42 122.73 1xr6 h ASP 99 Ca 0.12 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.54 1xr6 h ASP 99 Cb 0.53 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 1xr6 h ASP 99 CO 0.03 0.70 -0.19 0.77 -1.57 0.00 0.00 179.24 178.98 1xr6 h SER 100 N 0.00 0.00 0.00 6.45 4.64 -1.14 0.24 113.55 123.74 1xr6 h SER 100 Ca -0.01 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 1xr6 h SER 100 Cb 1.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 1xr6 h SER 100 CO 0.09 0.19 -1.06 0.58 -0.87 0.00 0.00 176.83 175.76 1xr6 h VAL 101 N 0.00 1.06 -0.26 0.95 2.07 -1.18 -3.40 116.25 115.50 1xr6 h VAL 101 Ca -0.00 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1xr6 h VAL 101 Cb 0.77 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1xr6 h VAL 101 CO 0.02 0.36 0.00 0.49 0.02 0.00 0.00 177.57 178.47 1xr6 n PHE 102 N -4.45 0.32 0.00 1.57 3.01 -0.10 -1.40 117.46 116.40 1xr6 n PHE 102 Ca -0.29 -0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.00 1xr6 n PHE 102 Cb 0.65 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 1xr6 n PHE 102 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xr6 n GLY 103 N 1.34 -1.06 2.32 1.37 0.00 0.07 -4.34 105.19 104.89 1xr6 n GLY 103 Ca 0.16 -1.57 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 1xr6 n GLY 103 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xr6 n ILE 104 N -0.63 0.00 -2.18 -0.61 3.06 0.03 -4.79 119.36 114.24 1xr6 n ILE 104 Ca 0.00 -1.70 -0.43 0.00 -2.50 0.00 0.00 62.75 58.12 1xr6 n ILE 104 Cb 0.00 0.73 -0.02 0.00 0.54 0.00 0.00 39.64 40.88 1xr6 n ILE 104 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1xr6 s GLU 105 N -3.03 4.09 0.00 9.51 2.02 -1.26 -2.50 118.70 127.53 1xr6 s GLU 105 Ca 0.21 1.85 0.00 0.00 0.02 0.00 0.00 54.97 57.05 1xr6 s GLU 105 Cb 0.01 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.32 1xr6 s GLU 105 CO 0.15 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.92 1xr6 n GLY 106 N 4.10 3.00 3.11 -1.39 0.00 -1.26 -4.86 105.19 107.88 1xr6 n GLY 106 Ca 0.16 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1xr6 n GLY 106 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xr6 s LEU 107 N 0.00 5.20 0.97 0.99 2.96 -1.04 -4.54 118.68 123.21 1xr6 s LEU 107 Ca 0.00 -2.10 -0.11 0.00 -0.22 0.00 0.00 54.13 51.70 1xr6 s LEU 107 Cb 0.00 -1.81 0.17 0.00 0.50 0.00 0.00 46.19 45.05 1xr6 s LEU 107 CO 0.00 -0.52 1.09 -0.62 -1.32 0.00 0.00 176.35 174.99 1xr6 n GLU 108 N 4.49 -0.85 -1.65 1.98 1.02 -1.26 -0.79 120.64 123.57 1xr6 n GLU 108 Ca -0.01 -0.19 -0.35 0.00 -0.02 0.00 0.00 57.16 56.59 1xr6 n GLU 108 Cb 0.41 -2.32 0.07 0.00 -0.02 0.00 0.00 31.44 29.59 1xr6 n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xr6 s ALA 109 N -2.58 2.29 0.27 0.62 0.00 -1.26 -4.46 121.76 116.63 1xr6 s ALA 109 Ca 0.67 1.02 -0.31 0.00 0.00 0.00 0.00 51.96 53.35 1xr6 s ALA 109 Cb -0.23 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.28 1xr6 s ALA 109 CO 0.60 -1.64 1.63 -1.17 0.00 0.00 0.00 175.76 175.17 1xr6 s LEU 110 N -4.67 4.35 0.04 0.00 2.96 -0.50 -4.91 118.68 115.95 1xr6 s LEU 110 Ca 0.78 2.92 -0.30 0.00 -0.22 0.00 0.00 54.13 57.30 1xr6 s LEU 110 Cb -0.32 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 42.68 1xr6 s LEU 110 CO 0.41 -0.93 1.46 -0.62 -1.32 0.00 0.00 176.35 175.35 1xr6 s ASP 111 N 0.69 6.78 0.00 3.68 -1.08 -1.26 -4.91 116.67 120.57 1xr6 s ASP 111 Ca 0.66 2.24 0.20 0.00 -0.52 0.00 0.00 52.55 55.14 1xr6 s ASP 111 Cb -0.48 -2.57 0.53 0.00 -1.46 0.00 0.00 42.92 38.94 1xr6 s ASP 111 CO 0.43 -0.75 1.44 0.18 0.52 0.00 0.00 175.17 177.00 1xr6 n LEU 112 N 5.17 2.91 -0.03 -1.34 4.77 -1.26 -4.25 117.00 122.97 1xr6 n LEU 112 Ca 0.13 -1.35 0.01 0.00 -0.03 0.00 0.00 56.01 54.78 1xr6 n LEU 112 Cb 0.43 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1xr6 n LEU 112 CO 0.60 0.67 -0.76 0.59 -1.33 0.00 0.00 177.39 177.16 1xr6 n ASN 113 N 1.11 2.04 -4.75 -1.43 3.02 -1.26 -4.36 115.26 109.63 1xr6 n ASN 113 Ca 0.19 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.41 1xr6 n ASN 113 Cb 0.49 1.23 0.08 0.00 -0.61 0.00 0.00 39.78 40.98 1xr6 n ASN 113 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xr6 s THR 114 N -2.63 2.91 0.68 3.41 -4.23 -1.26 -4.99 115.64 109.53 1xr6 s THR 114 Ca -0.05 0.38 -0.15 0.00 -1.18 0.00 0.00 61.69 60.69 1xr6 s THR 114 Cb 0.06 -2.85 0.01 0.00 1.34 0.00 0.00 72.50 71.06 1xr6 s THR 114 CO 0.52 -0.30 1.15 -0.94 -0.54 0.00 0.00 174.62 174.51 1xr6 s SER 115 N -2.63 4.78 0.00 3.99 1.04 -1.26 -4.72 113.70 114.91 1xr6 s SER 115 Ca 0.67 2.14 0.27 0.00 0.48 0.00 0.00 55.95 59.52 1xr6 s SER 115 Cb -0.22 -2.57 0.85 0.00 0.10 0.00 0.00 66.02 64.19 1xr6 s SER 115 CO 0.47 -1.85 1.65 0.00 0.98 0.00 0.00 173.24 174.49 1xr6 n ALA 116 N -2.48 3.02 -0.12 5.32 0.00 -1.26 -4.80 120.51 120.19 1xr6 n ALA 116 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xr6 n ALA 116 Cb 0.51 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1xr6 n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xr6 n GLY 117 N 1.46 -1.74 3.76 0.00 0.00 -1.26 -0.82 105.19 106.59 1xr6 n GLY 117 Ca 0.08 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1xr6 n GLY 117 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xr6 s PHE 118 N 0.00 3.27 -2.45 1.61 5.36 -1.26 -1.13 117.98 123.37 1xr6 s PHE 118 Ca 0.00 1.55 0.23 0.00 -0.96 0.00 0.00 56.93 57.75 1xr6 s PHE 118 Cb 0.00 -3.48 0.65 0.00 -0.34 0.00 0.00 43.02 39.85 1xr6 s PHE 118 CO 0.00 -1.24 1.51 -0.35 -1.46 0.00 0.00 175.22 173.68 1xr6 n PRO 119 N 0.86 1.99 0.02 10.12 -0.04 -1.26 -4.52 135.00 142.17 1xr6 n PRO 119 Ca 0.00 -1.48 0.01 0.00 -0.04 0.00 0.00 63.50 61.99 1xr6 n PRO 119 Cb 0.44 -1.45 0.34 0.00 -0.04 0.00 0.00 33.50 32.79 1xr6 n PRO 119 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1xr6 h TYR 120 N 3.12 0.49 -0.46 0.54 -1.99 -1.42 -1.79 116.97 115.45 1xr6 h TYR 120 Ca 0.00 -0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.76 1xr6 h TYR 120 Cb 0.68 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.23 1xr6 h TYR 120 CO 0.11 0.46 0.31 0.28 -0.00 0.00 0.00 178.16 179.33 1xr6 h VAL 121 N 0.47 0.96 0.00 -2.88 2.07 -1.55 -2.09 116.25 113.23 1xr6 h VAL 121 Ca 0.11 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1xr6 h VAL 121 Cb 0.25 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1xr6 h VAL 121 CO 0.00 0.07 -0.08 0.74 0.02 0.00 0.00 177.57 178.32 1xr6 h THR 122 N 0.37 0.18 0.00 2.57 2.02 -1.61 -3.30 112.91 113.14 1xr6 h THR 122 Ca 0.20 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1xr6 h THR 122 Cb 0.34 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1xr6 h THR 122 CO -0.05 0.08 -0.23 0.23 0.37 0.00 0.00 175.52 175.92 1xr6 n MET 123 N -3.18 1.27 -0.82 6.66 2.81 -0.87 -4.99 117.12 118.01 1xr6 n MET 123 Ca 0.01 -2.71 0.00 0.00 -1.81 0.00 0.00 57.70 53.19 1xr6 n MET 123 Cb 0.40 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1xr6 n MET 123 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xr6 n GLY 124 N -1.19 0.28 3.65 3.03 0.00 -1.09 -4.96 105.19 104.91 1xr6 n GLY 124 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1xr6 n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xr6 s ILE 125 N -1.75 4.34 0.36 -0.61 1.01 -0.84 -5.02 121.20 118.70 1xr6 s ILE 125 Ca 0.00 1.60 0.07 0.00 0.00 0.00 0.00 60.65 62.32 1xr6 s ILE 125 Cb 0.00 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1xr6 s ILE 125 CO 0.00 -0.24 0.42 -0.54 0.00 0.00 0.00 174.94 174.57 1xr6 s LYS 126 N 3.60 2.85 0.38 2.79 1.02 -1.26 -4.31 119.74 124.81 1xr6 s LYS 126 Ca 0.52 -1.23 0.08 0.00 0.02 0.00 0.00 55.97 55.36 1xr6 s LYS 126 Cb -0.19 -2.63 0.81 0.00 -0.52 0.00 0.00 37.83 35.31 1xr6 s LYS 126 CO 0.15 -0.03 1.97 0.87 -0.92 0.00 0.00 175.35 177.39 1xr6 h LYS 127 N 0.98 0.64 0.00 1.68 1.57 -1.84 -1.29 116.57 118.32 1xr6 h LYS 127 Ca -0.44 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1xr6 h LYS 127 Cb 1.26 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1xr6 h LYS 127 CO 0.54 0.43 -0.08 0.00 -0.57 0.00 0.00 179.45 179.76 1xr6 h ARG 128 N 0.66 0.00 0.00 3.15 3.08 -1.76 -1.19 114.38 118.32 1xr6 h ARG 128 Ca 0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 1xr6 h ARG 128 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1xr6 h ARG 128 CO -0.09 0.08 -0.18 -0.44 -1.07 0.00 0.00 179.97 178.27 1xr6 h ASP 129 N 0.00 0.00 0.10 7.04 3.32 -1.63 -3.32 116.42 121.93 1xr6 h ASP 129 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1xr6 h ASP 129 Cb 0.48 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 1xr6 h ASP 129 CO 0.01 0.18 -2.26 0.18 -1.72 0.00 0.00 179.24 175.63 1xr6 n LEU 130 N -3.25 0.83 -4.00 1.55 4.77 -0.85 -4.85 117.00 111.21 1xr6 n LEU 130 Ca 0.01 0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.76 1xr6 n LEU 130 Cb 0.47 0.10 -0.17 0.00 -2.33 0.00 0.00 43.42 41.49 1xr6 n LEU 130 CO 0.33 0.58 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.86 1xr6 s ILE 131 N -2.52 1.46 -0.28 -0.08 1.01 -0.51 -2.63 121.20 117.66 1xr6 s ILE 131 Ca -0.14 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 1xr6 s ILE 131 Cb 0.07 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1xr6 s ILE 131 CO 0.79 0.44 0.29 0.21 0.00 0.00 0.00 174.94 176.66 1xr6 s ASN 132 N 1.50 6.14 0.20 3.58 3.84 -0.74 -4.38 114.94 125.09 1xr6 s ASN 132 Ca 0.04 0.09 0.11 0.00 0.21 0.00 0.00 52.86 53.31 1xr6 s ASN 132 Cb -0.13 -2.17 -0.05 0.00 -0.55 0.00 0.00 41.25 38.36 1xr6 s ASN 132 CO -0.10 -0.14 1.37 -1.13 -2.79 0.00 0.00 177.10 174.32 1xr6 h ASN 133 N 8.29 0.00 0.03 -4.21 -1.24 -1.91 0.03 115.58 116.58 1xr6 h ASN 133 Ca -0.33 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.60 1xr6 h ASN 133 Cb 1.17 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.22 1xr6 h ASN 133 CO 0.61 0.75 -0.38 0.11 -1.29 0.00 0.00 177.43 177.22 1xr6 h LYS 134 N 0.00 0.06 0.00 6.67 1.79 -1.98 -3.32 116.57 119.79 1xr6 h LYS 134 Ca -0.01 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1xr6 h LYS 134 Cb 1.56 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.24 1xr6 h LYS 134 CO 0.10 1.05 -0.01 1.15 -1.08 0.00 0.00 179.45 180.65 1xr6 h THR 135 N -0.86 0.03 -3.87 -0.16 2.02 -2.01 -3.46 112.91 104.60 1xr6 h THR 135 Ca -0.09 -0.61 -0.33 0.00 0.77 0.00 0.00 66.41 66.15 1xr6 h THR 135 Cb 1.19 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1xr6 h THR 135 CO -0.00 0.01 -0.44 0.29 0.37 0.00 0.00 175.52 175.75 1xr6 n LYS 136 N -3.11 -2.56 -3.60 6.66 4.76 -0.03 -4.96 118.16 115.32 1xr6 n LYS 136 Ca 0.01 0.74 -0.37 0.00 -2.87 0.00 0.00 58.31 55.82 1xr6 n LYS 136 Cb 0.34 -5.41 -0.09 0.00 -1.84 0.00 0.00 35.03 28.03 1xr6 n LYS 136 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1xr6 s ASP 137 N -2.20 6.19 -0.29 4.39 -1.08 -1.07 -4.92 116.67 117.69 1xr6 s ASP 137 Ca 0.09 0.20 0.11 0.00 -0.52 0.00 0.00 52.55 52.43 1xr6 s ASP 137 Cb -0.04 -2.13 0.47 0.00 -1.46 0.00 0.00 42.92 39.76 1xr6 s ASP 137 CO 0.11 0.04 1.16 2.30 0.52 0.00 0.00 175.17 179.29 1xr6 n ILE 138 N 4.28 2.16 -0.15 4.11 -5.35 -1.26 -1.78 119.36 121.37 1xr6 n ILE 138 Ca -0.14 -3.88 -0.11 0.00 -0.27 0.00 0.00 62.75 58.35 1xr6 n ILE 138 Cb 0.52 -0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 37.95 1xr6 n ILE 138 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1xr6 h SER 139 N 2.33 0.84 -0.21 7.28 0.02 -1.94 -2.52 113.55 119.34 1xr6 h SER 139 Ca 0.22 -0.36 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1xr6 h SER 139 Cb 1.44 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 1xr6 h SER 139 CO 0.60 1.01 -0.12 0.03 -1.14 0.00 0.00 176.83 177.22 1xr6 h ARG 140 N 0.65 0.59 -0.19 3.45 -0.00 -1.88 -1.71 114.38 115.30 1xr6 h ARG 140 Ca 0.11 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.98 59.39 1xr6 h ARG 140 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.55 1xr6 h ARG 140 CO 0.04 0.70 0.03 1.25 0.00 0.00 0.00 179.97 181.99 1xr6 h LEU 141 N 0.54 0.31 -0.79 3.04 5.85 -1.38 -0.60 115.31 122.29 1xr6 h LEU 141 Ca 0.10 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1xr6 h LEU 141 Cb 0.52 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1xr6 h LEU 141 CO 0.03 0.50 0.50 0.11 -0.34 0.00 0.00 178.44 179.24 1xr6 h LYS 142 N 0.11 0.94 -0.79 1.25 1.57 -1.27 -0.21 116.57 118.17 1xr6 h LYS 142 Ca 0.06 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xr6 h LYS 142 Cb 0.32 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1xr6 h LYS 142 CO 0.00 0.62 0.48 0.93 -0.57 0.00 0.00 179.45 180.91 1xr6 h GLU 143 N 0.96 1.08 0.00 3.15 5.08 -1.22 -2.75 114.58 120.88 1xr6 h GLU 143 Ca 0.32 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1xr6 h GLU 143 Cb 0.03 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1xr6 h GLU 143 CO -0.12 0.76 -0.35 0.00 -1.00 0.00 0.00 179.01 178.30 1xr6 h ALA 144 N 1.25 0.95 0.00 3.43 0.00 -0.16 -2.19 119.26 122.54 1xr6 h ALA 144 Ca 0.28 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1xr6 h ALA 144 Cb -0.04 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xr6 h ALA 144 CO -0.05 0.44 -0.34 -0.07 0.00 0.00 0.00 179.25 179.23 1xr6 h LEU 145 N 0.00 0.29 -0.37 0.00 3.38 -0.88 -2.45 115.31 115.28 1xr6 h LEU 145 Ca -0.00 -0.78 -0.01 0.00 0.09 0.00 0.00 57.88 57.17 1xr6 h LEU 145 Cb 0.94 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1xr6 h LEU 145 CO 0.05 1.04 0.18 0.44 0.09 0.00 0.00 178.44 180.24 1xr6 h ASP 146 N -0.42 0.47 0.33 -0.43 3.32 -1.52 -0.55 116.42 117.63 1xr6 h ASP 146 Ca -0.04 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1xr6 h ASP 146 Cb 1.09 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1xr6 h ASP 146 CO 0.07 0.46 -0.16 0.50 -1.72 0.00 0.00 179.24 178.38 1xr6 h LYS 147 N 0.46 -0.43 0.00 3.56 3.64 -1.48 -3.34 116.57 118.98 1xr6 h LYS 147 Ca 0.13 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1xr6 h LYS 147 Cb 0.10 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1xr6 h LYS 147 CO -0.02 -0.28 -0.30 1.88 -2.27 0.00 0.00 179.45 178.45 1xr6 h TYR 148 N -0.47 0.00 0.00 1.91 -1.99 -1.54 -3.49 116.97 111.39 1xr6 h TYR 148 Ca -0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1xr6 h TYR 148 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1xr6 h TYR 148 CO 0.14 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.71 1xr6 n GLY 149 N 1.17 -0.18 3.24 3.88 0.00 -0.22 -4.98 105.19 108.11 1xr6 n GLY 149 Ca 0.03 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 1xr6 n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xr6 s VAL 150 N 0.00 0.51 -0.94 1.61 1.01 -1.26 -4.80 120.40 116.52 1xr6 s VAL 150 Ca 0.00 -1.98 -0.03 0.00 0.00 0.00 0.00 61.98 59.97 1xr6 s VAL 150 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1xr6 s VAL 150 CO 0.00 -0.32 0.81 -0.67 0.00 0.00 0.00 175.10 174.92 1xr6 n ASP 151 N -0.28 -4.67 -4.95 3.32 2.03 -1.26 -5.03 116.55 105.72 1xr6 n ASP 151 Ca -0.04 -0.58 -0.24 0.00 0.52 0.00 0.00 54.79 54.45 1xr6 n ASP 151 Cb 0.64 -4.52 -0.02 0.00 -0.72 0.00 0.00 41.12 36.50 1xr6 n ASP 151 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xr6 s LEU 152 N -5.28 4.16 0.41 -2.67 1.43 -1.26 -5.07 118.68 110.40 1xr6 s LEU 152 Ca 0.26 0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 53.44 1xr6 s LEU 152 Cb -0.03 -3.15 -0.09 0.00 0.03 0.00 0.00 46.19 42.95 1xr6 s LEU 152 CO 0.63 -0.16 1.35 -2.16 0.23 0.00 0.00 176.35 176.24 1xr6 s PRO 153 N -3.94 3.92 -0.11 1.29 0.04 -1.26 -4.82 135.00 130.11 1xr6 s PRO 153 Ca 0.38 2.26 -0.25 0.00 0.04 0.00 0.00 61.00 63.43 1xr6 s PRO 153 Cb -0.10 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 1xr6 s PRO 153 CO 0.32 -0.57 0.81 -1.64 0.04 0.00 0.00 177.00 175.96 1xr6 s MET 154 N -2.27 4.38 0.01 4.56 -1.94 -0.27 -4.49 119.30 119.28 1xr6 s MET 154 Ca 0.57 1.02 -0.28 0.00 -1.71 0.00 0.00 55.69 55.30 1xr6 s MET 154 Cb -0.40 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 32.88 1xr6 s MET 154 CO 0.52 -0.16 0.90 0.42 -0.01 0.00 0.00 175.02 176.69 1xr6 s ILE 155 N 1.53 4.84 -0.34 2.53 1.01 -0.61 -1.36 121.20 128.80 1xr6 s ILE 155 Ca 0.40 1.89 -0.13 0.00 0.00 0.00 0.00 60.65 62.82 1xr6 s ILE 155 Cb -0.18 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 1xr6 s ILE 155 CO 0.16 0.22 0.23 0.42 0.00 0.00 0.00 174.94 175.98 1xr6 s THR 156 N 0.71 5.22 -0.14 2.92 -4.23 -0.91 -0.78 115.64 118.43 1xr6 s THR 156 Ca 0.47 -0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.65 1xr6 s THR 156 Cb -0.21 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 1xr6 s THR 156 CO 0.26 -0.00 0.17 -0.36 -0.54 0.00 0.00 174.62 174.15 1xr6 s PHE 157 N 1.71 3.54 0.49 3.99 0.40 0.16 -4.77 117.98 123.50 1xr6 s PHE 157 Ca 0.06 0.52 -0.22 0.00 -0.60 0.00 0.00 56.93 56.68 1xr6 s PHE 157 Cb -0.17 -2.07 -0.07 0.00 0.51 0.00 0.00 43.02 41.22 1xr6 s PHE 157 CO 0.10 0.55 1.21 -0.51 0.70 0.00 0.00 175.22 177.27 1xr6 s LEU 158 N -0.49 3.95 -0.42 -0.37 1.02 -1.26 -1.38 118.68 119.73 1xr6 s LEU 158 Ca 0.14 2.41 -0.18 0.00 0.02 0.00 0.00 54.13 56.52 1xr6 s LEU 158 Cb -0.12 -4.28 0.02 0.00 0.02 0.00 0.00 46.19 41.83 1xr6 s LEU 158 CO 0.03 -1.10 0.46 -0.75 0.02 0.00 0.00 176.35 175.00 1xr6 s LYS 159 N -2.80 3.15 -0.72 1.70 2.47 -0.83 -4.87 119.74 117.84 1xr6 s LYS 159 Ca 0.66 -0.69 -0.26 0.00 -1.56 0.00 0.00 55.97 54.12 1xr6 s LYS 159 Cb -0.31 -3.95 0.04 0.00 -1.46 0.00 0.00 37.83 32.14 1xr6 s LYS 159 CO 0.37 -0.85 1.22 0.34 0.16 0.00 0.00 175.35 176.59 1xr6 s ASP 160 N 1.82 6.17 0.21 1.43 2.15 -1.26 -4.67 116.67 122.52 1xr6 s ASP 160 Ca 0.13 -0.54 -0.22 0.00 0.43 0.00 0.00 52.55 52.35 1xr6 s ASP 160 Cb -0.17 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 39.97 1xr6 s ASP 160 CO 0.14 -1.76 0.67 -1.83 -0.17 0.00 0.00 175.17 172.22 1xr6 s GLU 161 N 5.42 1.50 0.31 4.34 -1.05 -1.26 -5.01 118.70 122.96 1xr6 s GLU 161 Ca 0.33 -0.71 -0.29 0.00 -0.15 0.00 0.00 54.97 54.15 1xr6 s GLU 161 Cb -0.10 0.59 -0.10 0.00 -0.44 0.00 0.00 34.13 34.08 1xr6 s GLU 161 CO 0.14 -0.67 1.26 -0.51 0.95 0.00 0.00 175.26 176.43 1xr6 s LEU 162 N -2.83 4.45 0.15 1.83 1.02 -1.26 -1.16 118.68 120.89 1xr6 s LEU 162 Ca 0.06 2.58 0.02 0.00 0.02 0.00 0.00 54.13 56.81 1xr6 s LEU 162 Cb -0.03 -3.64 -0.04 0.00 0.02 0.00 0.00 46.19 42.49 1xr6 s LEU 162 CO -0.03 -0.45 -0.03 -0.13 0.02 0.00 0.00 176.35 175.73 1xr6 s ARG 163 N -1.62 1.03 0.71 1.70 0.52 -0.21 -4.87 118.95 116.22 1xr6 s ARG 163 Ca 0.48 -1.47 -0.14 0.00 -0.52 0.00 0.00 55.73 54.09 1xr6 s ARG 163 Cb -0.38 -0.29 0.02 0.00 0.52 0.00 0.00 34.95 34.82 1xr6 s ARG 163 CO 0.49 -0.08 1.12 0.15 0.02 0.00 0.00 175.30 177.01 1xr6 s LYS 164 N -3.87 2.52 0.21 3.54 1.02 -1.26 -1.52 119.74 120.37 1xr6 s LYS 164 Ca 0.20 1.38 -0.09 0.00 0.02 0.00 0.00 55.97 57.48 1xr6 s LYS 164 Cb 0.05 -1.92 0.27 0.00 -0.52 0.00 0.00 37.83 35.71 1xr6 s LYS 164 CO 0.01 -1.47 1.78 0.87 -0.92 0.00 0.00 175.35 175.62 1xr6 h LYS 165 N -0.37 0.55 -0.95 1.68 1.57 -1.94 -2.30 116.57 114.81 1xr6 h LYS 165 Ca -0.46 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.41 1xr6 h LYS 165 Cb 1.25 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.36 1xr6 h LYS 165 CO 0.52 0.37 0.61 0.93 -0.57 0.00 0.00 179.45 181.31 1xr6 h GLU 166 N 0.57 0.87 0.00 3.15 3.07 -1.95 -1.28 114.58 119.02 1xr6 h GLU 166 Ca 0.31 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1xr6 h GLU 166 Cb 0.28 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1xr6 h GLU 166 CO -0.23 0.58 0.00 0.87 -1.40 0.00 0.00 179.01 178.82 1xr6 h LYS 167 N 0.90 0.00 0.05 2.33 1.57 -1.77 -2.82 116.57 116.83 1xr6 h LYS 167 Ca 0.47 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1xr6 h LYS 167 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1xr6 h LYS 167 CO -0.23 0.00 -0.02 0.82 -0.57 0.00 0.00 179.45 179.45 1xr6 h ILE 168 N 0.00 1.31 -0.18 1.86 1.08 -1.05 -1.10 117.51 119.43 1xr6 h ILE 168 Ca 0.00 -1.45 0.03 0.00 -0.39 0.00 0.00 64.86 63.05 1xr6 h ILE 168 Cb 0.68 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.63 1xr6 h ILE 168 CO 0.00 0.35 -0.03 0.28 -0.69 0.00 0.00 178.15 178.06 1xr6 h SER 169 N -0.74 -0.13 0.00 1.72 0.02 -1.54 -2.85 113.55 110.03 1xr6 h SER 169 Ca -0.01 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1xr6 h SER 169 Cb 0.63 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1xr6 h SER 169 CO 0.01 -0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.66 1xr6 n ALA 170 N -2.35 2.54 -1.32 3.77 0.00 -1.07 -1.99 120.51 120.09 1xr6 n ALA 170 Ca -0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1xr6 n ALA 170 Cb 0.11 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 1xr6 n ALA 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xr6 n GLY 171 N 0.68 1.22 2.70 0.00 0.00 -1.08 -4.86 105.19 103.85 1xr6 n GLY 171 Ca 0.13 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1xr6 n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xr6 n LYS 172 N -2.54 3.31 -4.07 1.61 4.76 -0.43 -4.52 118.16 116.28 1xr6 n LYS 172 Ca -0.11 -2.88 -0.36 0.00 -2.87 0.00 0.00 58.31 52.09 1xr6 n LYS 172 Cb 0.38 -3.07 -0.08 0.00 -1.84 0.00 0.00 35.03 30.41 1xr6 n LYS 172 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1xr6 s THR 173 N 1.94 4.97 0.76 -0.18 -4.23 -1.26 -4.84 115.64 112.80 1xr6 s THR 173 Ca 0.48 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.89 1xr6 s THR 173 Cb 0.14 -3.16 0.05 0.00 1.34 0.00 0.00 72.50 70.87 1xr6 s THR 173 CO -0.06 0.58 1.13 -0.13 -0.54 0.00 0.00 174.62 175.61 1xr6 s ARG 174 N -0.71 2.36 0.02 3.99 0.52 -1.26 -4.89 118.95 118.98 1xr6 s ARG 174 Ca 0.12 0.23 0.04 0.00 -0.52 0.00 0.00 55.73 55.60 1xr6 s ARG 174 Cb -0.12 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 1xr6 s ARG 174 CO 0.03 -1.33 -0.14 0.08 0.02 0.00 0.00 175.30 173.96 1xr6 s VAL 175 N -3.46 1.07 -0.06 3.52 1.01 -1.26 -1.96 120.40 119.26 1xr6 s VAL 175 Ca 0.60 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1xr6 s VAL 175 Cb -0.11 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1xr6 s VAL 175 CO 0.50 0.09 -0.24 0.27 0.00 0.00 0.00 175.10 175.72 1xr6 s ILE 176 N -0.68 1.98 -0.67 2.22 -4.36 -0.48 -4.74 121.20 114.47 1xr6 s ILE 176 Ca 0.02 -1.03 -0.00 0.00 -0.26 0.00 0.00 60.65 59.38 1xr6 s ILE 176 Cb -0.07 -1.68 0.17 0.00 1.25 0.00 0.00 42.46 42.13 1xr6 s ILE 176 CO 0.01 0.55 0.48 -1.61 0.24 0.00 0.00 174.94 174.61 1xr6 s GLU 177 N -0.14 2.59 -0.12 0.37 2.02 -0.70 -0.67 118.70 122.04 1xr6 s GLU 177 Ca -0.04 -2.79 -0.27 0.00 0.02 0.00 0.00 54.97 51.89 1xr6 s GLU 177 Cb -0.13 -3.66 -0.02 0.00 0.10 0.00 0.00 34.13 30.41 1xr6 s GLU 177 CO 0.04 -1.19 0.89 0.00 0.02 0.00 0.00 175.26 175.01 1xr6 s ALA 178 N -0.52 3.43 0.41 5.21 0.00 0.04 -4.50 121.76 125.83 1xr6 s ALA 178 Ca 0.20 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.24 1xr6 s ALA 178 Cb -0.17 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1xr6 s ALA 178 CO -0.06 -0.54 0.81 -1.54 0.00 0.00 0.00 175.76 174.43 1xr6 s SER 179 N 1.08 6.60 0.47 0.00 1.04 -1.26 -1.57 113.70 120.06 1xr6 s SER 179 Ca 0.43 1.26 -0.22 0.00 0.48 0.00 0.00 55.95 57.89 1xr6 s SER 179 Cb -0.18 -2.37 -0.09 0.00 0.10 0.00 0.00 66.02 63.48 1xr6 s SER 179 CO 0.16 -0.40 0.96 -0.24 0.98 0.00 0.00 173.24 174.70 1xr6 n SER 180 N -1.18 0.96 -0.09 7.02 2.88 -1.26 -4.39 113.62 117.57 1xr6 n SER 180 Ca 0.04 0.96 0.12 0.00 -1.33 0.00 0.00 58.87 58.66 1xr6 n SER 180 Cb 0.54 -1.35 0.51 0.00 -0.75 0.00 0.00 64.21 63.16 1xr6 n SER 180 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1xr6 h ILE 181 N 1.20 0.88 -0.93 2.46 2.10 -1.26 -1.92 117.51 120.04 1xr6 h ILE 181 Ca -0.45 -0.14 0.07 0.00 1.08 0.00 0.00 64.86 65.42 1xr6 h ILE 181 Cb 1.35 0.45 -0.07 0.00 -1.09 0.00 0.00 36.82 37.46 1xr6 h ILE 181 CO 0.55 0.07 0.59 0.78 -1.08 0.00 0.00 178.15 179.05 1xr6 h ASN 182 N 0.40 0.91 0.36 2.19 4.21 -1.89 -0.20 115.58 121.56 1xr6 h ASN 182 Ca 0.28 0.02 -0.30 0.00 1.21 0.00 0.00 56.30 57.51 1xr6 h ASN 182 Cb 0.58 -0.17 0.02 0.00 -1.12 0.00 0.00 38.32 37.64 1xr6 h ASN 182 CO -0.08 0.57 -1.31 0.44 -1.29 0.00 0.00 177.43 175.76 1xr6 h ASP 183 N 1.04 0.70 -0.65 5.81 3.32 -1.68 -2.77 116.42 122.19 1xr6 h ASP 183 Ca 0.42 -0.71 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 1xr6 h ASP 183 Cb 0.23 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1xr6 h ASP 183 CO -0.19 1.54 0.16 0.71 -1.72 0.00 0.00 179.24 179.74 1xr6 h THR 184 N 0.16 1.25 -0.92 0.35 1.35 -1.14 -1.04 112.91 112.92 1xr6 h THR 184 Ca -0.19 -0.94 0.03 0.00 -0.55 0.00 0.00 66.41 64.77 1xr6 h THR 184 Cb 2.00 0.57 -0.05 0.00 -1.73 0.00 0.00 68.15 68.94 1xr6 h THR 184 CO 0.24 0.36 0.60 0.40 -0.25 0.00 0.00 175.52 176.86 1xr6 h ILE 185 N 1.01 1.16 -0.45 6.82 1.08 -1.12 -1.15 117.51 124.85 1xr6 h ILE 185 Ca 0.21 -0.40 -0.12 0.00 -0.39 0.00 0.00 64.86 64.16 1xr6 h ILE 185 Cb 0.35 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 33.98 1xr6 h ILE 185 CO 0.00 0.21 -0.21 0.25 -0.69 0.00 0.00 178.15 177.72 1xr6 h LEU 186 N 1.17 0.92 -0.52 1.44 5.85 -1.08 -0.49 115.31 122.61 1xr6 h LEU 186 Ca 0.36 -0.34 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 1xr6 h LEU 186 Cb -0.01 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1xr6 h LEU 186 CO -0.12 1.10 -0.49 -0.26 -0.34 0.00 0.00 178.44 178.34 1xr6 h PHE 187 N 0.79 0.79 -0.12 1.25 0.04 -1.02 -2.38 116.94 116.30 1xr6 h PHE 187 Ca 0.11 -0.26 -0.13 0.00 2.80 0.00 0.00 57.97 60.49 1xr6 h PHE 187 Cb 0.75 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 1xr6 h PHE 187 CO 0.05 1.00 -0.51 0.00 -0.60 0.00 0.00 178.31 178.25 1xr6 h ARG 188 N 0.51 0.31 -0.38 1.51 3.08 -1.11 -0.22 114.38 118.09 1xr6 h ARG 188 Ca 0.02 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1xr6 h ARG 188 Cb 1.03 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1xr6 h ARG 188 CO 0.10 0.75 0.01 1.15 -1.07 0.00 0.00 179.97 180.91 1xr6 h THR 189 N 0.25 1.26 0.11 2.04 2.02 -0.96 -0.88 112.91 116.74 1xr6 h THR 189 Ca 0.01 -0.96 -0.19 0.00 0.77 0.00 0.00 66.41 66.03 1xr6 h THR 189 Cb 0.98 1.14 0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1xr6 h THR 189 CO 0.08 0.32 -0.92 0.71 0.37 0.00 0.00 175.52 176.09 1xr6 h THR 190 N 0.48 1.36 -0.61 3.16 1.35 -1.38 -1.30 112.91 115.98 1xr6 h THR 190 Ca 0.11 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 1xr6 h THR 190 Cb 0.44 3.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 1xr6 h THR 190 CO 0.02 0.67 0.00 0.49 -0.25 0.00 0.00 175.52 176.45 1xr6 n PHE 191 N -4.15 0.82 -0.32 4.73 3.72 -0.10 -4.50 117.46 117.66 1xr6 n PHE 191 Ca -0.18 -0.50 0.06 0.00 -0.05 0.00 0.00 57.45 56.78 1xr6 n PHE 191 Cb 0.79 -0.01 0.25 0.00 -0.94 0.00 0.00 39.48 39.58 1xr6 n PHE 191 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1xr6 h GLY 192 N 3.56 1.40 2.00 1.37 0.00 -1.29 -1.41 103.07 108.69 1xr6 h GLY 192 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1xr6 h GLY 192 CO 0.00 0.24 -0.47 3.43 0.00 0.00 0.00 176.54 179.74 1xr6 h ASN 193 N 0.99 0.00 0.16 0.19 -0.26 -1.83 -1.64 115.58 113.18 1xr6 h ASN 193 Ca 0.43 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.16 1xr6 h ASN 193 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1xr6 h ASN 193 CO -0.18 0.47 -0.08 0.25 -1.06 0.00 0.00 177.43 176.83 1xr6 h LEU 194 N 0.00 -0.18 -0.96 1.61 5.85 -1.54 -2.40 115.31 117.68 1xr6 h LEU 194 Ca -0.00 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1xr6 h LEU 194 Cb 0.98 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1xr6 h LEU 194 CO 0.06 0.13 0.63 -0.26 -0.34 0.00 0.00 178.44 178.66 1xr6 h PHE 195 N -0.51 1.17 -0.06 1.25 0.04 -1.29 -2.00 116.94 115.54 1xr6 h PHE 195 Ca -0.02 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1xr6 h PHE 195 Cb 0.40 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1xr6 h PHE 195 CO 0.02 0.67 0.03 1.03 -0.60 0.00 0.00 178.31 179.46 1xr6 h SER 196 N 1.20 0.07 -0.55 2.17 0.87 -1.30 -1.74 113.55 114.28 1xr6 h SER 196 Ca 0.39 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1xr6 h SER 196 Cb 0.02 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1xr6 h SER 196 CO -0.13 0.11 0.24 0.11 -0.53 0.00 0.00 176.83 176.63 1xr6 h LYS 197 N 0.02 0.86 -0.28 2.24 1.79 -1.04 -2.10 116.57 118.06 1xr6 h LYS 197 Ca 0.02 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1xr6 h LYS 197 Cb 0.06 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1xr6 h LYS 197 CO -0.00 0.70 0.10 0.74 -1.08 0.00 0.00 179.45 179.91 1xr6 h PHE 198 N 0.85 0.44 -0.13 -1.35 -1.00 -1.17 -2.43 116.94 112.14 1xr6 h PHE 198 Ca 0.20 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.88 1xr6 h PHE 198 Cb 0.17 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 1xr6 h PHE 198 CO 0.01 0.46 -0.20 0.45 -1.61 0.00 0.00 178.31 177.42 1xr6 h HIS 199 N 0.29 0.24 0.00 -0.55 3.86 -0.83 -2.75 115.15 115.41 1xr6 h HIS 199 Ca 0.09 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1xr6 h HIS 199 Cb 0.22 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1xr6 h HIS 199 CO 0.00 0.42 -0.37 -0.07 0.86 0.00 0.00 177.93 178.77 1xr6 h LEU 200 N 0.21 0.00 -5.56 2.43 3.38 -1.35 -3.39 115.31 111.03 1xr6 h LEU 200 Ca 0.04 -0.06 -0.54 0.00 0.09 0.00 0.00 57.88 57.41 1xr6 h LEU 200 Cb 0.49 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.82 1xr6 h LEU 200 CO 0.03 0.03 -0.89 0.59 0.09 0.00 0.00 178.44 178.29 1xr6 n ASN 201 N -2.51 2.90 -4.76 -0.43 4.13 -0.92 -5.08 115.26 108.59 1xr6 n ASN 201 Ca 0.03 -3.38 -0.41 0.00 1.68 0.00 0.00 54.58 52.50 1xr6 n ASN 201 Cb 0.48 -0.58 -0.03 0.00 -1.54 0.00 0.00 39.78 38.11 1xr6 n ASN 201 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1xr6 s PRO 202 N -3.03 4.37 0.00 3.52 0.04 -1.21 -4.40 135.00 134.29 1xr6 s PRO 202 Ca 0.45 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1xr6 s PRO 202 Cb 0.32 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1xr6 s PRO 202 CO -0.11 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1xr6 n GLY 203 N 1.52 0.56 0.37 0.56 0.00 0.19 -4.97 105.19 103.42 1xr6 n GLY 203 Ca 0.03 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.64 1xr6 n GLY 203 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xr6 n VAL 204 N 9.00 0.00 -0.10 1.61 3.14 -1.26 -0.45 118.33 130.27 1xr6 n VAL 204 Ca 0.00 -0.20 -0.24 0.00 -2.96 0.00 0.00 64.34 60.95 1xr6 n VAL 204 Cb 0.00 0.61 -0.12 0.00 -1.06 0.00 0.00 33.84 33.27 1xr6 n VAL 204 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1xr6 n VAL 205 N -0.26 1.57 0.18 1.55 0.31 -1.26 -4.12 118.33 116.28 1xr6 n VAL 205 Ca 0.13 -0.22 0.03 0.00 -0.01 0.00 0.00 64.34 64.28 1xr6 n VAL 205 Cb 0.38 -1.94 0.31 0.00 -0.91 0.00 0.00 33.84 31.69 1xr6 n VAL 205 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1xr6 h THR 206 N -0.81 1.11 -0.92 2.52 1.35 -1.77 -3.40 112.91 110.99 1xr6 h THR 206 Ca -0.45 -1.60 -0.22 0.00 -0.55 0.00 0.00 66.41 63.59 1xr6 h THR 206 Cb 1.50 1.92 -0.06 0.00 -1.73 0.00 0.00 68.15 69.78 1xr6 h THR 206 CO -0.22 0.43 -0.23 0.61 -0.25 0.00 0.00 175.52 175.86 1xr6 n GLY 207 N 0.06 0.70 3.21 5.82 0.00 0.40 -4.95 105.19 110.42 1xr6 n GLY 207 Ca -0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1xr6 n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xr6 s SER 208 N -2.74 1.67 -0.08 1.61 1.04 -0.84 -1.03 113.70 113.34 1xr6 s SER 208 Ca 0.00 -0.83 0.11 0.00 0.48 0.00 0.00 55.95 55.71 1xr6 s SER 208 Cb 0.00 -0.02 0.20 0.00 0.10 0.00 0.00 66.02 66.30 1xr6 s SER 208 CO 0.00 -0.23 1.12 0.00 0.98 0.00 0.00 173.24 175.11 1xr6 n ALA 209 N 0.48 2.21 -2.09 5.32 0.00 -0.28 -0.64 120.51 125.51 1xr6 n ALA 209 Ca -0.15 -1.93 -0.42 0.00 0.00 0.00 0.00 53.44 50.94 1xr6 n ALA 209 Cb 0.58 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 1xr6 n ALA 209 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xr6 s VAL 210 N -2.08 3.31 0.00 0.00 1.01 -1.26 -1.80 120.40 119.57 1xr6 s VAL 210 Ca 0.20 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1xr6 s VAL 210 Cb 0.17 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1xr6 s VAL 210 CO 0.03 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1xr6 n GLY 211 N 3.73 1.15 3.77 4.51 0.00 -1.26 -4.41 105.19 112.68 1xr6 n GLY 211 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1xr6 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr6 s ASP 213 N -2.73 5.67 0.60 0.00 -1.08 -1.26 -4.98 116.67 112.89 1xr6 s ASP 213 Ca 0.66 -1.58 0.29 0.00 -0.52 0.00 0.00 52.55 51.40 1xr6 s ASP 213 Cb -0.20 -2.00 1.66 0.00 -1.46 0.00 0.00 42.92 40.91 1xr6 s ASP 213 CO 0.45 -0.57 2.06 -0.65 0.52 0.00 0.00 175.17 176.98 1xr6 h PRO 214 N 8.43 0.00 -0.40 4.34 0.11 -1.95 0.15 132.00 142.68 1xr6 h PRO 214 Ca -0.23 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 1xr6 h PRO 214 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1xr6 h PRO 214 CO 0.78 0.00 0.12 0.93 -0.21 0.00 0.00 178.00 179.62 1xr6 h GLU 215 N 0.00 0.58 0.00 1.05 5.08 -1.93 -2.49 114.58 116.87 1xr6 h GLU 215 Ca 0.10 -0.09 -0.39 0.00 -1.00 0.00 0.00 59.36 57.98 1xr6 h GLU 215 Cb 0.60 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 1xr6 h GLU 215 CO -0.00 0.52 -2.47 0.25 -1.00 0.00 0.00 179.01 176.31 1xr6 n THR 216 N -4.34 1.47 0.26 1.13 -2.24 -0.78 -4.61 114.28 105.16 1xr6 n THR 216 Ca 0.03 -0.58 0.08 0.00 -2.27 0.00 0.00 64.05 61.30 1xr6 n THR 216 Cb 0.18 -1.36 0.62 0.00 -2.10 0.00 0.00 70.33 67.67 1xr6 n THR 216 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1xr6 h PHE 217 N 0.00 0.00 -0.35 4.78 3.57 -1.03 -2.82 116.94 121.09 1xr6 h PHE 217 Ca -0.57 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 60.89 1xr6 h PHE 217 Cb 1.91 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.63 1xr6 h PHE 217 CO 0.03 0.02 0.06 -1.49 -2.23 0.00 0.00 178.31 174.70 1xr6 h TRP 218 N 0.00 0.53 -0.06 0.41 -0.00 -1.68 -1.33 115.95 113.83 1xr6 h TRP 218 Ca -0.00 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.89 58.77 1xr6 h TRP 218 Cb 0.04 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.03 1xr6 h TRP 218 CO 0.00 0.49 -0.34 0.77 -0.00 0.00 0.00 178.44 179.36 1xr6 h SER 219 N 0.51 0.11 1.77 -3.49 0.02 -1.66 -3.11 113.55 107.71 1xr6 h SER 219 Ca 0.12 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1xr6 h SER 219 Cb 0.24 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1xr6 h SER 219 CO 0.00 0.45 -0.23 0.11 -1.14 0.00 0.00 176.83 176.03 1xr6 h LYS 220 N 0.10 0.00 -0.06 3.45 1.57 -1.35 -3.38 116.57 116.89 1xr6 h LYS 220 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xr6 h LYS 220 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1xr6 h LYS 220 CO 0.05 0.03 0.03 0.82 -0.57 0.00 0.00 179.45 179.81 1xr6 h ILE 221 N 0.00 1.08 0.00 1.86 2.04 -1.35 -2.60 117.51 118.55 1xr6 h ILE 221 Ca -0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1xr6 h ILE 221 Cb 1.03 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1xr6 h ILE 221 CO 0.00 0.07 0.00 -0.65 0.00 0.00 0.00 178.15 177.57 1xr6 h PRO 222 N 0.01 0.00 0.04 2.37 0.11 -1.75 -0.25 132.00 132.54 1xr6 h PRO 222 Ca 0.02 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.84 1xr6 h PRO 222 Cb 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 1xr6 h PRO 222 CO -0.00 0.00 -1.58 -0.39 -0.21 0.00 0.00 178.00 175.81 1xr6 h VAL 223 N 0.00 1.04 -0.05 3.15 -1.51 -1.74 -3.35 116.25 113.77 1xr6 h VAL 223 Ca 0.00 -2.80 -0.04 0.00 -1.23 0.00 0.00 66.70 62.63 1xr6 h VAL 223 Cb 0.29 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 1xr6 h VAL 223 CO 0.00 0.70 -0.11 0.24 -1.23 0.00 0.00 177.57 177.17 1xr6 h MET 224 N 0.03 0.17 -3.59 5.19 2.86 -1.17 -3.33 114.93 115.08 1xr6 h MET 224 Ca -0.25 -0.11 -0.76 0.00 -2.06 0.00 0.00 59.70 56.52 1xr6 h MET 224 Cb 1.98 0.01 -0.18 0.00 0.06 0.00 0.00 31.60 33.47 1xr6 h MET 224 CO 0.11 0.69 1.66 1.28 1.06 0.00 0.00 176.91 181.72 1xr6 n LEU 225 N -4.66 6.37 -4.97 1.22 4.32 -0.13 -4.98 117.00 114.17 1xr6 n LEU 225 Ca -0.08 -4.73 -0.25 0.00 -0.02 0.00 0.00 56.01 50.93 1xr6 n LEU 225 Cb 0.35 -1.46 0.11 0.00 -1.62 0.00 0.00 43.42 40.80 1xr6 n LEU 225 CO 0.37 1.34 0.61 1.51 -1.22 0.00 0.00 177.39 180.00 1xr6 s ASP 226 N 0.71 4.22 0.00 -1.43 1.47 -1.25 -4.71 116.67 115.67 1xr6 s ASP 226 Ca 0.38 -0.11 0.00 0.00 1.18 0.00 0.00 52.55 54.00 1xr6 s ASP 226 Cb 0.06 -0.26 0.00 0.00 -0.34 0.00 0.00 42.92 42.38 1xr6 s ASP 226 CO 0.02 -1.96 0.00 0.61 0.68 0.00 0.00 175.17 174.52 1xr6 n GLY 227 N -3.00 2.23 0.33 2.12 0.00 -1.26 -4.65 105.19 100.96 1xr6 n GLY 227 Ca 0.14 -1.59 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 1xr6 n GLY 227 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xr6 h ASP 228 N 0.00 1.06 -3.08 1.61 1.82 -1.71 -3.41 116.42 112.71 1xr6 h ASP 228 Ca 0.00 -0.22 -0.61 0.00 -0.39 0.00 0.00 57.03 55.81 1xr6 h ASP 228 Cb 0.00 -0.28 -0.12 0.00 0.68 0.00 0.00 39.33 39.61 1xr6 h ASP 228 CO 0.00 1.01 0.57 0.00 -1.61 0.00 0.00 179.24 179.21 1xr6 s ILE 230 N 4.02 5.05 0.05 0.00 1.09 -1.26 -2.29 121.20 127.86 1xr6 s ILE 230 Ca 0.29 1.28 0.04 0.00 -1.10 0.00 0.00 60.65 61.16 1xr6 s ILE 230 Cb -0.13 -3.96 -0.02 0.00 -1.06 0.00 0.00 42.46 37.28 1xr6 s ILE 230 CO 0.17 0.31 -0.12 -0.04 -0.10 0.00 0.00 174.94 175.16 1xr6 s MET 231 N 0.54 0.73 0.18 2.79 -1.94 0.93 -4.25 119.30 118.27 1xr6 s MET 231 Ca 0.33 -0.81 -0.22 0.00 -1.71 0.00 0.00 55.69 53.29 1xr6 s MET 231 Cb -0.17 -0.67 0.06 0.00 2.01 0.00 0.00 34.83 36.06 1xr6 s MET 231 CO 0.16 0.15 0.59 0.00 -0.01 0.00 0.00 175.02 175.91 1xr6 s ALA 232 N -1.15 -1.43 0.14 3.03 0.00 -1.26 -1.08 121.76 120.01 1xr6 s ALA 232 Ca -0.03 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.95 1xr6 s ALA 232 Cb -0.09 0.86 0.06 0.00 0.00 0.00 0.00 23.12 23.96 1xr6 s ALA 232 CO 0.01 -0.80 0.89 -0.59 0.00 0.00 0.00 175.76 175.27 1xr6 s PHE 233 N -3.79 -0.20 0.11 0.00 -0.12 -1.26 -4.40 117.98 108.31 1xr6 s PHE 233 Ca 0.03 -0.09 -0.05 0.00 -0.05 0.00 0.00 56.93 56.78 1xr6 s PHE 233 Cb -0.01 0.63 -0.05 0.00 -0.63 0.00 0.00 43.02 42.95 1xr6 s PHE 233 CO -0.09 -0.84 0.34 -0.51 -0.05 0.00 0.00 175.22 174.08 1xr6 s ASP 234 N -2.84 6.49 -0.10 1.98 1.01 -0.81 -4.67 116.67 117.72 1xr6 s ASP 234 Ca 0.10 0.56 -0.02 0.00 0.71 0.00 0.00 52.55 53.91 1xr6 s ASP 234 Cb -0.02 -2.08 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 1xr6 s ASP 234 CO -0.00 0.10 -0.03 -0.31 0.21 0.00 0.00 175.17 175.14 1xr6 s TYR 235 N -1.58 3.06 -0.40 4.23 2.02 -1.26 -1.44 117.35 121.97 1xr6 s TYR 235 Ca 0.38 0.01 -0.20 0.00 -0.37 0.00 0.00 57.07 56.89 1xr6 s TYR 235 Cb -0.12 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1xr6 s TYR 235 CO 0.23 0.29 0.60 0.99 -1.57 0.00 0.00 175.55 176.09 1xr6 s THR 236 N -0.50 4.90 -1.01 -0.71 2.01 -0.40 -4.51 115.64 115.42 1xr6 s THR 236 Ca 0.08 0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 1xr6 s THR 236 Cb -0.12 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1xr6 s THR 236 CO 0.02 -0.45 0.87 -3.20 -0.69 0.00 0.00 174.62 171.17 1xr6 n ASN 237 N 6.06 -6.65 0.31 3.53 4.05 -1.26 -4.53 115.26 116.78 1xr6 n ASN 237 Ca -0.03 -0.66 -0.17 0.00 0.45 0.00 0.00 54.58 54.18 1xr6 n ASN 237 Cb 0.48 -4.97 -0.09 0.00 1.23 0.00 0.00 39.78 36.44 1xr6 n ASN 237 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1xr6 h TYR 238 N -0.95 -0.69 -0.19 1.20 3.20 -1.94 -2.23 116.97 115.37 1xr6 h TYR 238 Ca -0.53 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.36 1xr6 h TYR 238 Cb 1.27 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 39.70 1xr6 h TYR 238 CO 0.29 -0.40 -0.55 -0.44 -1.64 0.00 0.00 178.16 175.42 1xr6 h ASP 239 N -0.82 -1.76 0.79 -2.11 3.45 -1.93 -2.23 116.42 111.81 1xr6 h ASP 239 Ca -0.08 0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1xr6 h ASP 239 Cb 0.60 0.69 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1xr6 h ASP 239 CO 0.13 -0.47 0.00 0.61 -1.57 0.00 0.00 179.24 177.94 1xr6 n GLY 240 N -1.42 -1.29 0.89 2.75 0.00 -1.23 -0.53 105.19 104.36 1xr6 n GLY 240 Ca -0.06 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1xr6 n GLY 240 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xr6 n SER 241 N -2.11 2.67 -4.58 1.61 3.41 -0.84 0.12 113.62 113.90 1xr6 n SER 241 Ca 0.03 -1.87 -0.43 0.00 -0.26 0.00 0.00 58.87 56.34 1xr6 n SER 241 Cb 0.25 -0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1xr6 n SER 241 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xr6 s ILE 242 N -1.68 4.63 0.58 -1.33 1.01 -1.19 -4.54 121.20 118.68 1xr6 s ILE 242 Ca 0.35 0.83 -0.19 0.00 0.00 0.00 0.00 60.65 61.63 1xr6 s ILE 242 Cb 0.20 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1xr6 s ILE 242 CO 0.30 -0.60 1.24 -2.28 0.00 0.00 0.00 174.94 173.60 1xr6 s HIS 243 N 3.35 2.37 0.56 3.97 5.65 -1.26 -0.21 115.29 129.72 1xr6 s HIS 243 Ca 0.34 1.49 0.38 0.00 0.25 0.00 0.00 55.06 57.52 1xr6 s HIS 243 Cb -0.12 -3.55 1.52 0.00 -1.18 0.00 0.00 32.58 29.25 1xr6 s HIS 243 CO 0.20 -2.36 1.72 -1.35 -0.65 0.00 0.00 174.74 172.30 1xr6 h PRO 244 N 1.00 0.00 0.00 2.88 0.11 -1.94 -2.39 132.00 131.66 1xr6 h PRO 244 Ca -0.51 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1xr6 h PRO 244 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1xr6 h PRO 244 CO 0.55 0.00 -0.23 -0.24 -0.21 0.00 0.00 178.00 177.87 1xr6 h VAL 245 N 0.00 1.00 0.00 3.15 3.04 -1.90 -0.76 116.25 120.78 1xr6 h VAL 245 Ca 0.59 -0.85 -0.13 0.00 -1.01 0.00 0.00 66.70 65.30 1xr6 h VAL 245 Cb 2.52 1.48 -0.02 0.00 -2.01 0.00 0.00 31.29 33.26 1xr6 h VAL 245 CO -0.01 0.23 -0.64 -0.50 -1.01 0.00 0.00 177.57 175.64 1xr6 h TRP 246 N 0.00 0.00 -0.37 3.17 4.06 -1.79 -1.95 115.95 119.07 1xr6 h TRP 246 Ca -0.00 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 1xr6 h TRP 246 Cb 0.46 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 1xr6 h TRP 246 CO 0.00 0.64 -0.40 0.74 -3.56 0.00 0.00 178.44 175.86 1xr6 h PHE 247 N 0.00 1.11 -0.42 0.49 0.04 -1.28 -0.94 116.94 115.94 1xr6 h PHE 247 Ca -0.01 -0.34 0.02 0.00 2.80 0.00 0.00 57.97 60.45 1xr6 h PHE 247 Cb 1.27 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 39.16 1xr6 h PHE 247 CO 0.00 1.16 0.24 1.96 -0.60 0.00 0.00 178.31 181.07 1xr6 h GLN 248 N 0.75 0.47 -0.94 1.51 4.20 -1.27 -0.73 115.11 119.10 1xr6 h GLN 248 Ca 0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1xr6 h GLN 248 Cb 0.99 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.62 1xr6 h GLN 248 CO 0.10 0.31 0.57 0.00 -0.67 0.00 0.00 178.83 179.13 1xr6 h ALA 249 N 1.19 1.24 -0.61 3.87 0.00 -1.24 -2.46 119.26 121.25 1xr6 h ALA 249 Ca 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1xr6 h ALA 249 Cb 0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1xr6 h ALA 249 CO -0.08 0.66 0.10 1.25 0.00 0.00 0.00 179.25 181.17 1xr6 h LEU 250 N 1.29 0.97 -1.17 0.00 5.85 -0.72 -2.73 115.31 118.80 1xr6 h LEU 250 Ca 0.34 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1xr6 h LEU 250 Cb -0.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1xr6 h LEU 250 CO -0.06 0.98 0.27 0.11 -0.34 0.00 0.00 178.44 179.40 1xr6 h LYS 251 N 0.91 0.85 -0.26 1.25 1.57 -0.70 -2.05 116.57 118.15 1xr6 h LYS 251 Ca 0.18 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1xr6 h LYS 251 Cb 0.42 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1xr6 h LYS 251 CO 0.01 0.67 -0.38 -0.22 -0.57 0.00 0.00 179.45 178.96 1xr6 h LYS 252 N 0.85 0.60 -0.63 3.15 3.64 -1.28 -0.15 116.57 122.75 1xr6 h LYS 252 Ca 0.21 -0.30 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 1xr6 h LYS 252 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1xr6 h LYS 252 CO -0.03 0.88 0.05 0.28 -2.27 0.00 0.00 179.45 178.37 1xr6 h VAL 253 N 0.50 1.26 -0.26 2.00 2.07 -1.16 -1.04 116.25 119.63 1xr6 h VAL 253 Ca 0.05 -1.10 -0.14 0.00 0.82 0.00 0.00 66.70 66.33 1xr6 h VAL 253 Cb 0.88 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1xr6 h VAL 253 CO 0.08 0.40 -0.41 -0.07 0.02 0.00 0.00 177.57 177.59 1xr6 h LEU 254 N 0.98 0.67 -1.08 2.57 3.38 -1.10 -2.70 115.31 118.03 1xr6 h LEU 254 Ca 0.18 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1xr6 h LEU 254 Cb 0.50 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1xr6 h LEU 254 CO 0.02 1.00 -0.19 -0.33 0.09 0.00 0.00 178.44 179.03 1xr6 h GLU 255 N 0.51 0.42 0.00 1.13 5.08 -0.85 -1.48 114.58 119.40 1xr6 h GLU 255 Ca 0.04 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1xr6 h GLU 255 Cb 0.93 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1xr6 h GLU 255 CO 0.08 0.60 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.69 1xr6 h ASN 256 N 0.38 0.00 -0.08 1.42 -0.26 -0.94 -2.03 115.58 114.07 1xr6 h ASN 256 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1xr6 h ASN 256 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1xr6 h ASN 256 CO 0.04 0.09 0.00 0.18 -1.06 0.00 0.00 177.43 176.68 1xr6 n LEU 257 N -3.30 2.05 -0.15 1.61 4.77 -0.76 -4.97 117.00 116.26 1xr6 n LEU 257 Ca -0.00 -0.74 -0.02 0.00 -0.03 0.00 0.00 56.01 55.22 1xr6 n LEU 257 Cb 0.31 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1xr6 n LEU 257 CO 0.29 0.37 -0.02 -1.20 -1.33 0.00 0.00 177.39 175.50 1xr6 n SER 258 N 0.59 -3.32 -4.88 -1.43 7.64 -0.76 -4.66 113.62 106.80 1xr6 n SER 258 Ca 0.17 0.05 -0.30 0.00 1.01 0.00 0.00 58.87 59.80 1xr6 n SER 258 Cb 0.43 -0.99 -0.02 0.00 -1.01 0.00 0.00 64.21 62.62 1xr6 n SER 258 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1xr6 s PHE 259 N -2.05 3.51 0.54 1.43 0.08 -0.63 -4.90 117.98 115.96 1xr6 s PHE 259 Ca 0.00 1.04 -0.17 0.00 0.12 0.00 0.00 56.93 57.92 1xr6 s PHE 259 Cb 0.00 -2.45 -0.06 0.00 -0.57 0.00 0.00 43.02 39.93 1xr6 s PHE 259 CO 0.00 -0.22 1.02 -0.65 -0.10 0.00 0.00 175.22 175.27 1xr6 s GLN 260 N -4.20 3.67 -0.02 0.44 -0.21 -1.26 -3.92 119.66 114.15 1xr6 s GLN 260 Ca 0.51 1.12 0.16 0.00 0.02 0.00 0.00 55.36 57.17 1xr6 s GLN 260 Cb -0.10 -2.09 -0.25 0.00 1.00 0.00 0.00 33.01 31.57 1xr6 s GLN 260 CO 0.37 -0.51 0.38 0.43 -2.12 0.00 0.00 175.29 173.83 1xr6 n SER 261 N -1.66 1.25 -0.32 5.90 7.64 -1.26 -4.73 113.62 120.44 1xr6 n SER 261 Ca 0.08 -0.06 0.13 0.00 1.01 0.00 0.00 58.87 60.02 1xr6 n SER 261 Cb 0.53 1.69 0.35 0.00 -1.01 0.00 0.00 64.21 65.77 1xr6 n SER 261 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1xr6 h ASN 262 N 0.00 0.72 0.20 6.43 2.35 -1.98 -2.11 115.58 121.18 1xr6 h ASN 262 Ca 0.00 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1xr6 h ASN 262 Cb 0.71 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 1xr6 h ASN 262 CO 0.00 0.30 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.85 1xr6 h LEU 263 N 0.73 0.00 -1.95 1.61 3.38 -2.03 -2.33 115.31 114.72 1xr6 h LEU 263 Ca 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.48 1xr6 h LEU 263 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1xr6 h LEU 263 CO -0.29 0.17 -0.08 0.40 0.09 0.00 0.00 178.44 178.72 1xr6 h ILE 264 N 0.00 0.90 0.00 1.22 5.03 -1.74 -1.67 117.51 121.24 1xr6 h ILE 264 Ca -0.00 -0.30 -0.00 0.00 -0.12 0.00 0.00 64.86 64.43 1xr6 h ILE 264 Cb 0.31 1.17 -0.00 0.00 -3.03 0.00 0.00 36.82 35.27 1xr6 h ILE 264 CO 0.02 0.08 -0.00 0.44 -0.68 0.00 0.00 178.15 178.01 1xr6 h ASP 265 N 0.00 0.00 1.94 1.72 3.32 -1.57 -1.45 116.42 120.38 1xr6 h ASP 265 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xr6 h ASP 265 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1xr6 h ASP 265 CO 0.01 0.00 -0.05 0.03 -1.72 0.00 0.00 179.24 177.52 1xr6 h ARG 266 N 0.00 0.00 0.15 3.56 2.47 -1.46 -0.98 114.38 118.13 1xr6 h ARG 266 Ca -0.00 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.38 1xr6 h ARG 266 Cb 0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1xr6 h ARG 266 CO 0.00 0.00 -1.73 -0.07 0.56 0.00 0.00 179.97 178.73 1xr6 h LEU 267 N 0.00 0.50 0.18 3.04 3.38 -1.42 -3.35 115.31 117.65 1xr6 h LEU 267 Ca 0.00 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.17 1xr6 h LEU 267 Cb 0.99 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1xr6 h LEU 267 CO 0.00 1.68 -0.09 0.00 0.09 0.00 0.00 178.44 180.12 1xr6 s TYR 269 N -3.52 3.80 0.24 0.00 1.51 -0.38 -1.68 117.35 117.32 1xr6 s TYR 269 Ca -0.13 -2.50 0.06 0.00 -1.01 0.00 0.00 57.07 53.49 1xr6 s TYR 269 Cb 0.01 -3.56 -0.03 0.00 -0.11 0.00 0.00 41.96 38.26 1xr6 s TYR 269 CO 0.47 -0.90 0.25 -1.54 -1.11 0.00 0.00 175.55 172.72 1xr6 s SER 270 N 1.19 5.79 -0.13 2.29 1.04 -0.83 -4.52 113.70 118.54 1xr6 s SER 270 Ca 0.22 -0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.50 1xr6 s SER 270 Cb -0.12 -1.56 -0.02 0.00 0.10 0.00 0.00 66.02 64.42 1xr6 s SER 270 CO -0.08 -0.04 -0.09 -0.54 0.98 0.00 0.00 173.24 173.46 1xr6 s LYS 271 N -3.86 3.35 0.07 4.02 1.02 -1.26 -1.89 119.74 121.18 1xr6 s LYS 271 Ca 0.33 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 55.73 1xr6 s LYS 271 Cb -0.08 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1xr6 s LYS 271 CO 0.26 0.31 -0.08 -1.01 -0.92 0.00 0.00 175.35 173.91 1xr6 s HIS 272 N 0.14 0.82 -0.22 3.18 3.76 0.89 -1.12 115.29 122.75 1xr6 s HIS 272 Ca -0.04 -0.69 -0.04 0.00 -0.15 0.00 0.00 55.06 54.13 1xr6 s HIS 272 Cb -0.14 -0.48 0.07 0.00 1.11 0.00 0.00 32.58 33.14 1xr6 s HIS 272 CO 0.04 -0.10 0.10 -1.17 -0.85 0.00 0.00 174.74 172.76 1xr6 s LEU 273 N -2.31 0.55 -0.19 0.89 2.96 -0.47 -1.31 118.68 118.80 1xr6 s LEU 273 Ca 0.01 -0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 53.03 1xr6 s LEU 273 Cb -0.03 -0.33 0.01 0.00 0.50 0.00 0.00 46.19 46.34 1xr6 s LEU 273 CO -0.02 -0.38 -0.15 0.12 -1.32 0.00 0.00 176.35 174.61 1xr6 s PHE 274 N 2.08 2.84 0.00 5.38 2.19 -0.63 -2.15 117.98 127.69 1xr6 s PHE 274 Ca 0.04 -1.41 0.00 0.00 0.33 0.00 0.00 56.93 55.89 1xr6 s PHE 274 Cb -0.16 -1.98 0.00 0.00 -1.31 0.00 0.00 43.02 39.57 1xr6 s PHE 274 CO -0.19 -0.72 0.00 1.63 1.83 0.00 0.00 175.22 177.77 1xr6 n LYS 275 N 4.67 0.00 -0.61 10.12 5.02 -1.26 -0.89 118.16 135.21 1xr6 n LYS 275 Ca -0.20 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.12 1xr6 n LYS 275 Cb 0.50 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.76 1xr6 n LYS 275 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1xr6 n SER 276 N 9.30 3.56 -4.06 4.39 3.41 -1.26 -0.66 113.62 128.30 1xr6 n SER 276 Ca 0.00 -3.26 -0.31 0.00 -0.26 0.00 0.00 58.87 55.03 1xr6 n SER 276 Cb 0.00 -0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 63.19 1xr6 n SER 276 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1xr6 s THR 277 N -2.98 1.80 -0.11 6.66 2.01 -0.07 -1.70 115.64 121.26 1xr6 s THR 277 Ca 0.44 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 1xr6 s THR 277 Cb 0.37 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1xr6 s THR 277 CO 0.07 0.46 0.51 -0.47 -0.69 0.00 0.00 174.62 174.49 1xr6 s TYR 278 N 1.39 3.52 0.04 4.92 5.04 -0.31 -1.61 117.35 130.33 1xr6 s TYR 278 Ca 0.04 0.93 -0.03 0.00 -2.44 0.00 0.00 57.07 55.58 1xr6 s TYR 278 Cb -0.13 -2.59 -0.02 0.00 0.35 0.00 0.00 41.96 39.57 1xr6 s TYR 278 CO -0.11 0.15 0.02 1.52 -1.34 0.00 0.00 175.55 175.79 1xr6 s TYR 279 N 0.68 0.30 -0.05 4.97 1.13 -0.43 -1.59 117.35 122.37 1xr6 s TYR 279 Ca 0.27 -0.66 0.05 0.00 -1.41 0.00 0.00 57.07 55.32 1xr6 s TYR 279 Cb -0.15 -0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 40.48 1xr6 s TYR 279 CO 0.11 -0.31 -0.20 -1.21 -2.51 0.00 0.00 175.55 171.43 1xr6 s GLU 280 N -2.59 2.04 -0.01 -3.49 2.02 -0.66 -0.07 118.70 115.94 1xr6 s GLU 280 Ca -0.05 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.29 1xr6 s GLU 280 Cb -0.02 -1.76 -0.02 0.00 0.10 0.00 0.00 34.13 32.44 1xr6 s GLU 280 CO -0.05 0.29 -0.19 0.14 0.02 0.00 0.00 175.26 175.47 1xr6 s VAL 281 N -0.03 1.53 -0.22 2.63 -7.23 -0.79 -1.32 120.40 114.96 1xr6 s VAL 281 Ca -0.04 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.23 1xr6 s VAL 281 Cb -0.12 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 1xr6 s VAL 281 CO 0.03 0.42 0.05 0.00 -0.31 0.00 0.00 175.10 175.30 1xr6 s ALA 282 N -0.46 3.22 0.00 1.32 0.00 0.16 -1.96 121.76 124.03 1xr6 s ALA 282 Ca 0.07 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1xr6 s ALA 282 Cb -0.07 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1xr6 s ALA 282 CO -0.01 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1xr6 n GLY 283 N 4.30 -1.22 0.06 0.00 0.00 -0.68 -1.08 105.19 106.57 1xr6 n GLY 283 Ca -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1xr6 n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr6 n GLY 284 N -1.49 -3.08 3.74 -0.02 0.00 0.71 -4.56 105.19 100.49 1xr6 n GLY 284 Ca 0.00 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 1xr6 n GLY 284 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xr6 s VAL 285 N -1.93 5.06 -0.03 1.61 1.01 0.31 -4.57 120.40 121.86 1xr6 s VAL 285 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 1xr6 s VAL 285 Cb 0.00 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 1xr6 s VAL 285 CO 0.00 0.36 1.81 -2.84 0.00 0.00 0.00 175.10 174.43 1xr6 s PRO 286 N 0.25 4.10 -0.45 2.72 0.02 -1.26 -4.47 135.00 135.91 1xr6 s PRO 286 Ca 0.29 2.33 -0.27 0.00 0.02 0.00 0.00 61.00 63.37 1xr6 s PRO 286 Cb -0.17 -4.08 -0.03 0.00 0.02 0.00 0.00 34.50 30.24 1xr6 s PRO 286 CO 0.14 -0.97 2.00 -1.12 -0.33 0.00 0.00 177.00 176.72 1xr6 s SER 287 N 4.04 5.30 0.00 2.53 0.01 -1.26 -4.27 113.70 120.06 1xr6 s SER 287 Ca 0.81 0.97 0.00 0.00 1.31 0.00 0.00 55.95 59.04 1xr6 s SER 287 Cb -0.37 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.34 1xr6 s SER 287 CO 0.35 -2.23 0.00 0.61 0.41 0.00 0.00 173.24 172.38 1xr6 n GLY 288 N 5.68 0.29 0.00 3.44 0.00 -1.26 -1.73 105.19 111.62 1xr6 n GLY 288 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1xr6 n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr6 n SER 290 N 0.00 0.35 -1.43 0.00 3.41 -1.26 -1.71 113.62 112.98 1xr6 n SER 290 Ca 0.00 -1.99 -0.11 0.00 -0.26 0.00 0.00 58.87 56.51 1xr6 n SER 290 Cb 0.00 -1.37 0.01 0.00 -0.26 0.00 0.00 64.21 62.59 1xr6 n SER 290 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xr6 n GLY 291 N 5.75 -0.01 0.19 5.00 0.00 -1.26 -4.94 105.19 109.93 1xr6 n GLY 291 Ca 0.32 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1xr6 n GLY 291 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xr6 h THR 292 N -0.34 1.33 -0.83 2.61 2.02 -1.71 -3.20 112.91 112.78 1xr6 h THR 292 Ca -0.26 -2.13 -0.00 0.00 0.77 0.00 0.00 66.41 64.78 1xr6 h THR 292 Cb 1.19 2.13 -0.04 0.00 -1.74 0.00 0.00 68.15 69.69 1xr6 h THR 292 CO 0.30 0.66 0.51 0.28 0.37 0.00 0.00 175.52 177.63 1xr6 h SER 293 N 0.39 0.99 -0.11 4.18 0.02 -1.92 -1.55 113.55 115.54 1xr6 h SER 293 Ca -0.06 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.65 1xr6 h SER 293 Cb 1.43 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.73 1xr6 h SER 293 CO 0.15 0.76 -0.66 0.40 -1.14 0.00 0.00 176.83 176.34 1xr6 h ILE 294 N 1.15 1.33 -0.18 3.27 1.08 -1.97 -2.64 117.51 119.55 1xr6 h ILE 294 Ca 0.30 -1.93 -0.14 0.00 -0.39 0.00 0.00 64.86 62.70 1xr6 h ILE 294 Cb -0.06 2.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 1xr6 h ILE 294 CO -0.06 0.60 -0.48 -0.26 -0.69 0.00 0.00 178.15 177.26 1xr6 h PHE 295 N 0.30 0.57 -0.66 1.37 0.04 -1.53 -1.75 116.94 115.28 1xr6 h PHE 295 Ca -0.05 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.52 1xr6 h PHE 295 Cb 1.31 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 39.31 1xr6 h PHE 295 CO 0.10 0.86 0.33 -0.91 -0.60 0.00 0.00 178.31 178.09 1xr6 h ASN 296 N 0.37 0.83 -0.28 2.17 2.35 -1.31 -0.83 115.58 118.88 1xr6 h ASN 296 Ca 0.02 -0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.53 1xr6 h ASN 296 Cb 0.98 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 1xr6 h ASN 296 CO 0.09 0.69 -0.46 0.74 -1.65 0.00 0.00 177.43 176.84 1xr6 h THR 297 N 0.92 1.28 -0.41 2.81 2.02 -1.12 -1.39 112.91 117.02 1xr6 h THR 297 Ca 0.23 -1.64 -0.10 0.00 0.77 0.00 0.00 66.41 65.67 1xr6 h THR 297 Cb 0.07 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1xr6 h THR 297 CO -0.03 0.54 -0.13 0.24 0.37 0.00 0.00 175.52 176.51 1xr6 h MET 298 N 0.68 0.82 -0.72 6.66 2.86 -1.11 -1.77 114.93 122.34 1xr6 h MET 298 Ca 0.04 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1xr6 h MET 298 Cb 1.05 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 1xr6 h MET 298 CO 0.10 0.95 0.35 0.82 1.06 0.00 0.00 176.91 180.19 1xr6 h ILE 299 N 0.63 1.24 -0.71 -1.22 2.04 -1.10 -2.13 117.51 116.26 1xr6 h ILE 299 Ca 0.10 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1xr6 h ILE 299 Cb 0.67 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1xr6 h ILE 299 CO 0.05 0.28 0.33 -1.13 0.00 0.00 0.00 178.15 177.67 1xr6 h ASN 300 N 1.01 0.92 -0.96 1.72 -0.00 -0.99 0.11 115.58 117.39 1xr6 h ASN 300 Ca 0.25 -0.11 0.00 0.00 -0.00 0.00 0.00 56.30 56.44 1xr6 h ASN 300 Cb 0.12 -0.24 -0.05 0.00 -0.00 0.00 0.00 38.32 38.15 1xr6 h ASN 300 CO -0.03 0.79 0.61 0.78 -0.00 0.00 0.00 177.43 179.57 1xr6 h ASN 301 N 1.01 1.12 -0.29 1.15 2.35 -0.91 0.46 115.58 120.46 1xr6 h ASN 301 Ca 0.24 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 1xr6 h ASN 301 Cb 0.12 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1xr6 h ASN 301 CO -0.03 0.83 -0.37 0.40 -1.65 0.00 0.00 177.43 176.61 1xr6 h ILE 302 N 1.31 1.28 -0.11 2.81 2.04 -0.68 -3.03 117.51 121.13 1xr6 h ILE 302 Ca 0.35 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 1xr6 h ILE 302 Cb -0.11 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1xr6 h ILE 302 CO -0.07 0.51 0.01 0.40 0.00 0.00 0.00 178.15 179.00 1xr6 h ILE 303 N 0.69 1.22 0.06 -0.67 2.04 -0.22 -2.00 117.51 118.63 1xr6 h ILE 303 Ca 0.06 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1xr6 h ILE 303 Cb 0.94 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1xr6 h ILE 303 CO 0.09 0.20 -0.03 0.40 0.00 0.00 0.00 178.15 178.81 1xr6 h ILE 304 N -0.06 0.98 -0.40 -0.67 1.08 -0.98 -0.20 117.51 117.26 1xr6 h ILE 304 Ca 0.03 -0.11 0.08 0.00 -0.39 0.00 0.00 64.86 64.47 1xr6 h ILE 304 Cb 0.30 1.05 -0.07 0.00 -3.07 0.00 0.00 36.82 35.03 1xr6 h ILE 304 CO 0.00 0.03 -0.05 0.03 -0.69 0.00 0.00 178.15 177.47 1xr6 h ARG 305 N -0.13 0.05 -0.77 2.37 3.08 -1.57 -1.95 114.38 115.46 1xr6 h ARG 305 Ca -0.01 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1xr6 h ARG 305 Cb 0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1xr6 h ARG 305 CO 0.01 0.03 0.39 1.15 -1.07 0.00 0.00 179.97 180.49 1xr6 h THR 306 N 0.05 1.24 -0.23 2.04 2.02 -0.92 -1.61 112.91 115.50 1xr6 h THR 306 Ca 0.19 -0.64 -0.15 0.00 0.77 0.00 0.00 66.41 66.59 1xr6 h THR 306 Cb 0.29 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1xr6 h THR 306 CO -0.37 0.27 -0.47 -0.07 0.37 0.00 0.00 175.52 175.26 1xr6 h LEU 307 N 1.07 0.66 -0.53 2.58 3.38 -0.78 -1.41 115.31 120.28 1xr6 h LEU 307 Ca 0.27 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1xr6 h LEU 307 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xr6 h LEU 307 CO -0.04 1.02 -0.34 0.58 0.09 0.00 0.00 178.44 179.75 1xr6 h VAL 308 N 0.48 1.28 -0.70 1.22 2.07 -1.12 -1.75 116.25 117.73 1xr6 h VAL 308 Ca 0.03 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1xr6 h VAL 308 Cb 1.00 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1xr6 h VAL 308 CO 0.09 0.50 0.37 -0.07 0.02 0.00 0.00 177.57 178.48 1xr6 h LEU 309 N 0.69 0.89 -1.31 2.57 4.07 -1.16 -0.10 115.31 120.96 1xr6 h LEU 309 Ca 0.07 -0.11 -0.05 0.00 0.08 0.00 0.00 57.88 57.87 1xr6 h LEU 309 Cb 0.90 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1xr6 h LEU 309 CO 0.08 0.74 -0.11 0.44 -1.08 0.00 0.00 178.44 178.51 1xr6 h ASP 310 N 0.97 0.31 0.47 -0.43 3.32 -0.91 -3.22 116.42 116.94 1xr6 h ASP 310 Ca 0.25 -0.07 -0.30 0.00 0.02 0.00 0.00 57.03 56.93 1xr6 h ASP 310 Cb 0.06 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1xr6 h ASP 310 CO -0.04 0.46 -1.70 0.00 -1.72 0.00 0.00 179.24 176.24 1xr6 h ALA 311 N 1.58 0.69 -3.35 3.45 0.00 -1.03 -3.46 119.26 117.14 1xr6 h ALA 311 Ca 0.06 -1.41 -0.55 0.00 0.00 0.00 0.00 54.91 53.01 1xr6 h ALA 311 Cb 0.39 0.47 -0.38 0.00 0.00 0.00 0.00 17.79 18.27 1xr6 h ALA 311 CO 0.02 1.52 -0.79 0.71 0.00 0.00 0.00 179.25 180.71 1xr6 s TYR 312 N -2.60 1.65 0.31 0.00 2.02 -0.08 -5.01 117.35 113.64 1xr6 s TYR 312 Ca -0.07 -1.09 0.02 0.00 -0.37 0.00 0.00 57.07 55.56 1xr6 s TYR 312 Cb 0.08 -1.29 0.52 0.00 -0.40 0.00 0.00 41.96 40.87 1xr6 s TYR 312 CO 0.82 -0.62 1.85 0.87 -1.57 0.00 0.00 175.55 176.90 1xr6 h LYS 313 N 8.12 0.63 -4.72 -0.62 1.57 -1.85 -3.39 116.57 116.31 1xr6 h LYS 313 Ca -0.22 -0.14 -0.69 0.00 -1.87 0.00 0.00 60.65 57.73 1xr6 h LYS 313 Cb 1.11 -0.09 -0.28 0.00 0.08 0.00 0.00 32.23 33.04 1xr6 h LYS 313 CO 0.39 0.63 -0.62 -0.80 -0.57 0.00 0.00 179.45 178.47 1xr6 s ASN 314 N -6.69 5.20 -0.13 0.86 0.01 -1.26 -5.07 114.94 107.86 1xr6 s ASN 314 Ca -0.08 -1.03 -0.12 0.00 -0.71 0.00 0.00 52.86 50.92 1xr6 s ASN 314 Cb 0.15 -1.85 0.03 0.00 0.41 0.00 0.00 41.25 39.99 1xr6 s ASN 314 CO 0.78 -0.28 0.34 -0.51 -1.51 0.00 0.00 177.10 175.91 1xr6 s ILE 315 N 1.42 0.00 -0.53 0.60 1.10 -1.26 -5.11 121.20 117.41 1xr6 s ILE 315 Ca -0.01 -0.00 -0.16 0.00 -0.51 0.00 0.00 60.65 59.97 1xr6 s ILE 315 Cb -0.19 -0.47 0.11 0.00 0.15 0.00 0.00 42.46 42.06 1xr6 s ILE 315 CO 0.02 -0.00 0.51 -0.62 -2.11 0.00 0.00 174.94 172.75 1xr6 s ASP 316 N 0.17 6.18 0.63 4.50 2.15 -1.26 -4.94 116.67 124.11 1xr6 s ASP 316 Ca -0.00 -1.63 0.36 0.00 0.43 0.00 0.00 52.55 51.72 1xr6 s ASP 316 Cb -0.02 -2.22 2.08 0.00 -0.30 0.00 0.00 42.92 42.46 1xr6 s ASP 316 CO 0.00 -0.86 2.30 -0.07 -0.17 0.00 0.00 175.17 176.38 1xr6 h LEU 317 N 9.05 0.00 -1.66 -1.34 3.38 -1.99 -1.34 115.31 121.41 1xr6 h LEU 317 Ca -0.30 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1xr6 h LEU 317 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1xr6 h LEU 317 CO 1.02 0.00 -0.18 0.44 0.09 0.00 0.00 178.44 179.81 1xr6 h ASP 318 N 0.00 0.00 -0.50 -0.43 5.19 -2.00 -2.48 116.42 116.20 1xr6 h ASP 318 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xr6 h ASP 318 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1xr6 h ASP 318 CO -0.00 0.18 0.00 0.29 -3.12 0.00 0.00 179.24 176.59 1xr6 n LYS 319 N -3.66 2.57 -3.16 3.56 4.01 -0.51 -4.74 118.16 116.23 1xr6 n LYS 319 Ca -0.01 -2.41 -0.45 0.00 -0.51 0.00 0.00 58.31 54.93 1xr6 n LYS 319 Cb 0.30 -1.52 -0.02 0.00 -0.51 0.00 0.00 35.03 33.28 1xr6 n LYS 319 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1xr6 s LEU 320 N -1.30 5.99 -0.06 -0.35 2.96 -0.93 -3.85 118.68 121.13 1xr6 s LEU 320 Ca 0.42 -2.59 -0.20 0.00 -0.22 0.00 0.00 54.13 51.53 1xr6 s LEU 320 Cb 0.23 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1xr6 s LEU 320 CO 0.32 -0.73 0.58 -0.54 -1.32 0.00 0.00 176.35 174.66 1xr6 s LYS 321 N 1.00 4.35 -0.03 1.98 1.02 -0.38 -4.90 119.74 122.78 1xr6 s LYS 321 Ca 0.27 0.68 0.01 0.00 0.02 0.00 0.00 55.97 56.95 1xr6 s LYS 321 Cb -0.08 -3.40 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1xr6 s LYS 321 CO -0.08 0.22 -0.05 0.42 -0.92 0.00 0.00 175.35 174.94 1xr6 s ILE 322 N 0.34 0.50 -0.08 2.17 1.01 -1.26 -0.45 121.20 123.42 1xr6 s ILE 322 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1xr6 s ILE 322 Cb -0.17 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 41.84 1xr6 s ILE 322 CO 0.15 0.19 -0.06 -0.63 0.00 0.00 0.00 174.94 174.59 1xr6 s ILE 323 N 0.48 0.77 0.06 2.92 1.01 -0.27 -4.24 121.20 121.92 1xr6 s ILE 323 Ca -0.06 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1xr6 s ILE 323 Cb -0.10 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1xr6 s ILE 323 CO -0.00 0.31 -0.12 0.00 0.00 0.00 0.00 174.94 175.13 1xr6 s ALA 324 N 1.47 0.95 -0.33 9.38 0.00 -0.20 -1.17 121.76 131.86 1xr6 s ALA 324 Ca -0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1xr6 s ALA 324 Cb -0.13 -0.06 0.11 0.00 0.00 0.00 0.00 23.12 23.04 1xr6 s ALA 324 CO -0.04 0.11 0.13 -0.47 0.00 0.00 0.00 175.76 175.49 1xr6 s TYR 325 N -1.23 1.34 0.00 0.00 6.14 0.35 -1.12 117.35 122.83 1xr6 s TYR 325 Ca -0.04 -1.63 0.00 0.00 0.64 0.00 0.00 57.07 56.04 1xr6 s TYR 325 Cb -0.10 -1.48 0.00 0.00 0.42 0.00 0.00 41.96 40.81 1xr6 s TYR 325 CO 0.01 -0.85 0.00 0.41 0.64 0.00 0.00 175.55 175.76 1xr6 n GLY 326 N 4.68 3.54 0.18 8.97 0.00 -1.26 -1.52 105.19 119.78 1xr6 n GLY 326 Ca -0.00 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1xr6 n GLY 326 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1xr6 h ASP 327 N 0.00 0.00 -3.32 1.61 2.03 -1.95 -3.39 116.42 111.40 1xr6 h ASP 327 Ca 0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 1xr6 h ASP 327 Cb 0.00 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.55 1xr6 h ASP 327 CO 0.00 0.36 0.77 -1.81 -1.03 0.00 0.00 179.24 177.53 1xr6 s ASP 328 N -6.35 6.65 -0.15 4.15 1.01 -0.58 -4.80 116.67 116.61 1xr6 s ASP 328 Ca 0.02 2.65 -0.13 0.00 0.71 0.00 0.00 52.55 55.80 1xr6 s ASP 328 Cb 0.09 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.44 1xr6 s ASP 328 CO 0.69 -0.71 0.39 0.54 0.21 0.00 0.00 175.17 176.29 1xr6 s VAL 329 N 0.13 -0.00 -0.01 -1.27 0.11 -1.26 -0.49 120.40 117.61 1xr6 s VAL 329 Ca 0.60 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.70 1xr6 s VAL 329 Cb -0.42 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1xr6 s VAL 329 CO 0.42 0.00 -0.13 -0.51 -3.33 0.00 0.00 175.10 171.55 1xr6 s ILE 330 N 0.26 1.01 0.23 7.04 2.07 -0.32 -4.21 121.20 127.27 1xr6 s ILE 330 Ca -0.00 -0.54 -0.14 0.00 -1.41 0.00 0.00 60.65 58.56 1xr6 s ILE 330 Cb -0.03 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.72 1xr6 s ILE 330 CO 0.00 0.29 0.47 0.72 -1.91 0.00 0.00 174.94 174.51 1xr6 s PHE 331 N -0.28 0.24 0.05 3.50 -0.12 -0.24 -1.11 117.98 120.01 1xr6 s PHE 331 Ca 0.05 -0.60 -0.05 0.00 -0.05 0.00 0.00 56.93 56.28 1xr6 s PHE 331 Cb -0.05 0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.54 1xr6 s PHE 331 CO -0.00 -0.95 0.07 -1.54 -0.05 0.00 0.00 175.22 172.75 1xr6 s SER 332 N -2.98 0.24 0.25 1.98 1.04 0.41 -0.05 113.70 114.60 1xr6 s SER 332 Ca 0.18 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 56.00 1xr6 s SER 332 Cb -0.00 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 1xr6 s SER 332 CO 0.05 -0.54 0.01 -0.47 0.98 0.00 0.00 173.24 173.27 1xr6 s TYR 333 N -2.98 1.66 0.05 5.02 5.04 -0.97 -1.25 117.35 123.92 1xr6 s TYR 333 Ca -0.02 -0.93 0.31 0.00 -2.44 0.00 0.00 57.07 53.99 1xr6 s TYR 333 Cb 0.01 -0.98 1.19 0.00 0.35 0.00 0.00 41.96 42.53 1xr6 s TYR 333 CO -0.06 -0.03 1.92 1.57 -1.34 0.00 0.00 175.55 177.61 1xr6 h LYS 334 N 2.39 0.00 -4.50 4.97 2.10 -1.88 -3.08 116.57 116.58 1xr6 h LYS 334 Ca -0.39 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 57.96 1xr6 h LYS 334 Cb 1.23 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.44 1xr6 h LYS 334 CO 0.65 0.03 -0.44 1.52 -2.00 0.00 0.00 179.45 179.22 1xr6 s TYR 335 N -3.62 1.25 -0.04 0.07 -0.85 -1.26 -4.19 117.35 108.71 1xr6 s TYR 335 Ca 0.02 -1.38 -0.30 0.00 -0.52 0.00 0.00 57.07 54.89 1xr6 s TYR 335 Cb 0.09 -0.43 -0.06 0.00 0.38 0.00 0.00 41.96 41.93 1xr6 s TYR 335 CO 0.57 -0.85 1.76 0.99 -1.52 0.00 0.00 175.55 176.50 1xr6 s THR 336 N -3.70 3.41 0.32 -3.49 2.01 -1.26 -4.55 115.64 108.37 1xr6 s THR 336 Ca 0.36 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.92 1xr6 s THR 336 Cb 0.03 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 1xr6 s THR 336 CO 0.18 -0.06 0.29 -0.76 -0.69 0.00 0.00 174.62 173.59 1xr6 s LEU 337 N 4.38 3.68 -0.41 4.42 1.02 -1.26 -5.10 118.68 125.42 1xr6 s LEU 337 Ca 0.79 -0.41 -0.12 0.00 0.02 0.00 0.00 54.13 54.40 1xr6 s LEU 337 Cb -0.35 -2.29 0.04 0.00 0.02 0.00 0.00 46.19 43.61 1xr6 s LEU 337 CO 0.33 -0.30 0.27 -0.62 0.02 0.00 0.00 176.35 176.05 1xr6 s ASP 338 N -3.98 5.85 0.29 2.29 3.68 -1.26 -4.96 116.67 118.59 1xr6 s ASP 338 Ca 0.40 -1.14 0.00 0.00 2.13 0.00 0.00 52.55 53.94 1xr6 s ASP 338 Cb -0.07 -2.07 0.52 0.00 -1.45 0.00 0.00 42.92 39.85 1xr6 s ASP 338 CO 0.27 -0.47 1.88 0.24 0.13 0.00 0.00 175.17 177.21 1xr6 h MET 339 N 8.52 1.02 -0.66 4.34 2.86 -1.98 -2.09 114.93 126.94 1xr6 h MET 339 Ca -0.26 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 1xr6 h MET 339 Cb 1.10 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 1xr6 h MET 339 CO 0.73 0.67 0.25 1.49 1.06 0.00 0.00 176.91 181.12 1xr6 h GLU 340 N 1.05 0.98 -0.55 1.72 4.81 -1.95 -0.48 114.58 120.15 1xr6 h GLU 340 Ca 0.44 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1xr6 h GLU 340 Cb 0.30 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1xr6 h GLU 340 CO -0.19 0.80 -0.04 0.00 -0.73 0.00 0.00 179.01 178.86 1xr6 h ALA 341 N 1.32 0.89 -0.31 2.92 0.00 -1.81 -2.17 119.26 120.10 1xr6 h ALA 341 Ca 0.22 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1xr6 h ALA 341 Cb 0.20 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xr6 h ALA 341 CO -0.02 0.65 -0.30 0.82 0.00 0.00 0.00 179.25 180.41 1xr6 h ILE 342 N 0.89 1.30 -0.64 0.00 2.04 -1.22 -3.10 117.51 116.79 1xr6 h ILE 342 Ca 0.16 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.59 1xr6 h ILE 342 Cb 0.57 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 1xr6 h ILE 342 CO 0.03 0.47 0.38 0.00 0.00 0.00 0.00 178.15 179.04 1xr6 h ALA 343 N 0.72 0.83 0.00 1.87 0.00 -0.99 -2.48 119.26 119.21 1xr6 h ALA 343 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xr6 h ALA 343 Cb 0.87 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xr6 h ALA 343 CO 0.07 0.11 -0.00 -0.91 0.00 0.00 0.00 179.25 178.52 1xr6 h ASN 344 N 0.74 0.00 0.71 0.00 2.35 -1.32 -1.79 115.58 116.27 1xr6 h ASN 344 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1xr6 h ASN 344 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1xr6 h ASN 344 CO -0.12 0.00 0.00 -0.33 -1.65 0.00 0.00 177.43 175.33 1xr6 h GLU 345 N 0.00 0.00 0.00 0.81 4.39 -1.43 -3.10 114.58 115.25 1xr6 h GLU 345 Ca -0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1xr6 h GLU 345 Cb 0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1xr6 h GLU 345 CO 0.00 0.00 -0.56 0.78 -1.16 0.00 0.00 179.01 178.07 1xr6 h GLY 346 N 2.04 0.00 0.73 -3.84 0.00 -1.43 -3.35 103.07 97.22 1xr6 h GLY 346 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1xr6 h GLY 346 CO 0.00 0.00 0.59 0.50 0.00 0.00 0.00 176.54 177.63 1xr6 h LYS 347 N 0.00 1.05 0.00 4.80 1.57 -1.45 -1.04 116.57 121.50 1xr6 h LYS 347 Ca -0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1xr6 h LYS 347 Cb 1.04 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1xr6 h LYS 347 CO 0.07 0.70 -0.16 1.57 -0.57 0.00 0.00 179.45 181.06 1xr6 h LYS 348 N 1.08 0.00 -0.01 3.15 2.10 -1.80 -2.30 116.57 118.79 1xr6 h LYS 348 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1xr6 h LYS 348 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1xr6 h LYS 348 CO -0.17 0.16 -0.33 0.66 -2.00 0.00 0.00 179.45 177.77 1xr6 n TYR 349 N -3.66 0.00 -0.46 0.07 4.01 -0.61 -4.80 117.16 111.71 1xr6 n TYR 349 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1xr6 n TYR 349 Cb 0.28 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1xr6 n TYR 349 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xr6 n GLY 350 N 1.37 0.75 3.72 2.72 0.00 -0.87 -4.56 105.19 108.32 1xr6 n GLY 350 Ca 0.11 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1xr6 n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xr6 s LEU 351 N 0.00 4.24 -0.32 0.99 1.43 -0.50 -4.86 118.68 119.66 1xr6 s LEU 351 Ca 0.00 0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 53.54 1xr6 s LEU 351 Cb 0.00 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1xr6 s LEU 351 CO 0.00 0.08 0.14 -0.89 0.23 0.00 0.00 176.35 175.91 1xr6 s THR 352 N 0.54 4.35 -0.03 5.49 2.01 -1.26 -3.03 115.64 123.71 1xr6 s THR 352 Ca 0.17 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1xr6 s THR 352 Cb -0.13 -3.29 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 1xr6 s THR 352 CO 0.04 -0.01 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.31 1xr6 s ILE 353 N 1.55 1.14 0.34 1.82 2.07 -1.26 -1.27 121.20 125.59 1xr6 s ILE 353 Ca 0.03 -0.57 0.03 0.00 -1.41 0.00 0.00 60.65 58.73 1xr6 s ILE 353 Cb -0.18 -0.98 -0.05 0.00 0.13 0.00 0.00 42.46 41.38 1xr6 s ILE 353 CO 0.05 0.33 0.08 0.42 -1.91 0.00 0.00 174.94 173.91 1xr6 s THR 354 N 0.01 0.99 0.61 4.00 -4.23 -0.52 -4.87 115.64 111.62 1xr6 s THR 354 Ca -0.01 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.31 1xr6 s THR 354 Cb -0.09 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1xr6 s THR 354 CO 0.01 0.00 1.10 -2.65 -0.54 0.00 0.00 174.62 172.54 1xr6 n PRO 355 N -0.73 1.04 -2.07 3.99 -0.02 -1.26 -1.92 135.00 134.03 1xr6 n PRO 355 Ca -0.03 0.40 -0.39 0.00 -2.02 0.00 0.00 63.50 61.46 1xr6 n PRO 355 Cb 0.66 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.82 1xr6 n PRO 355 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xr6 s ALA 356 N -1.45 3.25 -1.13 3.55 0.00 -1.26 -3.93 121.76 120.79 1xr6 s ALA 356 Ca 0.77 1.22 -0.07 0.00 0.00 0.00 0.00 51.96 53.89 1xr6 s ALA 356 Cb -0.41 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 1xr6 s ALA 356 CO 0.45 -0.81 0.88 -0.25 0.00 0.00 0.00 175.76 176.04 1xr6 n ASP 357 N 0.12 -4.74 -0.26 0.00 8.00 -1.26 -2.74 116.55 115.68 1xr6 n ASP 357 Ca 0.04 -0.76 -0.03 0.00 0.71 0.00 0.00 54.79 54.75 1xr6 n ASP 357 Cb 0.44 -4.72 -0.01 0.00 -0.02 0.00 0.00 41.12 36.80 1xr6 n ASP 357 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1xr6 n LYS 358 N -3.72 -1.89 -1.98 -1.24 5.02 -1.25 -4.90 118.16 108.20 1xr6 n LYS 358 Ca -0.15 0.49 -0.36 0.00 -2.02 0.00 0.00 58.31 56.27 1xr6 n LYS 358 Cb 0.63 -4.59 0.03 0.00 -0.02 0.00 0.00 35.03 31.08 1xr6 n LYS 358 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xr6 s SER 359 N -1.70 5.22 0.05 4.39 0.15 -1.11 -4.95 113.70 115.75 1xr6 s SER 359 Ca 0.00 2.45 -0.18 0.00 0.70 0.00 0.00 55.95 58.92 1xr6 s SER 359 Cb 0.00 -2.61 -0.16 0.00 -1.71 0.00 0.00 66.02 61.54 1xr6 s SER 359 CO 0.00 -1.58 1.27 0.00 1.20 0.00 0.00 173.24 174.13 1xr6 h THR 360 N 1.00 1.36 -3.46 6.45 1.03 -1.91 -3.40 112.91 113.98 1xr6 h THR 360 Ca -0.50 -1.69 -0.37 0.00 -0.01 0.00 0.00 66.41 63.83 1xr6 h THR 360 Cb 1.30 2.08 -0.14 0.00 -1.07 0.00 0.00 68.15 70.31 1xr6 h THR 360 CO 0.56 0.51 -0.63 -1.83 -0.01 0.00 0.00 175.52 174.11 1xr6 s GLU 361 N -3.86 1.39 -0.05 0.00 1.03 -1.26 -4.91 118.70 111.04 1xr6 s GLU 361 Ca -0.13 -1.73 -0.30 0.00 0.03 0.00 0.00 54.97 52.84 1xr6 s GLU 361 Cb 0.06 -0.49 -0.05 0.00 -0.80 0.00 0.00 34.13 32.85 1xr6 s GLU 361 CO 0.81 -0.19 1.51 -0.06 -1.33 0.00 0.00 175.26 176.01 1xr6 s PHE 362 N -3.55 2.41 0.17 4.83 0.08 -1.26 -4.85 117.98 115.81 1xr6 s PHE 362 Ca 0.33 0.52 0.10 0.00 0.12 0.00 0.00 56.93 58.00 1xr6 s PHE 362 Cb 0.07 -3.78 -0.04 0.00 -0.57 0.00 0.00 43.02 38.70 1xr6 s PHE 362 CO 0.11 -3.08 -0.22 0.21 -0.10 0.00 0.00 175.22 172.14 1xr6 s LYS 363 N 3.38 1.40 0.46 0.44 2.47 -1.26 -5.02 119.74 121.60 1xr6 s LYS 363 Ca 0.67 -1.45 -0.25 0.00 -1.56 0.00 0.00 55.97 53.39 1xr6 s LYS 363 Cb -0.31 -1.63 -0.08 0.00 -1.46 0.00 0.00 37.83 34.35 1xr6 s LYS 363 CO 0.26 0.35 1.40 0.21 0.16 0.00 0.00 175.35 177.73 1xr6 s LYS 364 N -2.63 3.64 -0.01 4.03 2.20 -1.26 -5.02 119.74 120.69 1xr6 s LYS 364 Ca 0.18 2.35 0.07 0.00 -0.36 0.00 0.00 55.97 58.21 1xr6 s LYS 364 Cb -0.07 -2.61 -0.02 0.00 -1.51 0.00 0.00 37.83 33.62 1xr6 s LYS 364 CO 0.08 -0.83 -0.23 -0.51 -0.36 0.00 0.00 175.35 173.50 1xr6 s LEU 365 N -2.80 2.07 0.00 5.43 1.43 -1.26 -5.04 118.68 118.50 1xr6 s LEU 365 Ca 0.62 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1xr6 s LEU 365 Cb -0.42 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1xr6 s LEU 365 CO 0.54 0.27 0.00 -0.90 0.23 0.00 0.00 176.35 176.49 1xr6 n ASP 366 N 2.39 0.55 0.00 2.29 5.68 -1.26 -4.13 116.55 122.07 1xr6 n ASP 366 Ca -0.16 -0.35 0.14 0.00 -0.50 0.00 0.00 54.79 53.92 1xr6 n ASP 366 Cb 0.52 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.20 1xr6 n ASP 366 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1xr6 n TYR 367 N 0.00 0.00 0.59 2.11 4.02 -1.26 -1.80 117.16 120.82 1xr6 n TYR 367 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 1xr6 n TYR 367 Cb 0.00 -0.31 0.25 0.00 -0.02 0.00 0.00 39.34 39.27 1xr6 n TYR 367 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1xr6 n ASN 368 N -1.31 0.74 0.00 7.72 5.03 -1.26 -4.13 115.26 122.05 1xr6 n ASN 368 Ca 0.13 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.85 1xr6 n ASN 368 Cb 0.23 -0.17 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 1xr6 n ASN 368 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1xr6 n ASN 369 N -2.16 0.13 -4.80 6.41 6.94 -1.19 -4.92 115.26 115.67 1xr6 n ASN 369 Ca 0.04 -0.61 -0.36 0.00 -0.02 0.00 0.00 54.58 53.63 1xr6 n ASN 369 Cb 0.44 0.10 -0.06 0.00 -2.36 0.00 0.00 39.78 37.89 1xr6 n ASN 369 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xr6 s VAL 370 N -0.10 4.32 0.03 3.53 0.11 -0.74 -4.94 120.40 122.60 1xr6 s VAL 370 Ca 0.00 1.64 0.06 0.00 -2.93 0.00 0.00 61.98 60.75 1xr6 s VAL 370 Cb 0.00 -3.90 -0.02 0.00 -1.53 0.00 0.00 36.38 30.93 1xr6 s VAL 370 CO 0.00 0.06 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.77 1xr6 s THR 371 N -1.71 1.37 -0.17 5.04 2.01 -1.26 -4.23 115.64 116.69 1xr6 s THR 371 Ca 0.51 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 1xr6 s THR 371 Cb -0.16 -1.20 0.06 0.00 0.01 0.00 0.00 72.50 71.21 1xr6 s THR 371 CO 0.21 0.16 0.39 0.12 -0.69 0.00 0.00 174.62 174.82 1xr6 s PHE 372 N -0.73 -0.60 -1.48 4.92 5.36 -0.83 -4.85 117.98 119.78 1xr6 s PHE 372 Ca 0.05 1.27 -0.11 0.00 -0.96 0.00 0.00 56.93 57.17 1xr6 s PHE 372 Cb -0.08 0.24 0.06 0.00 -0.34 0.00 0.00 43.02 42.90 1xr6 s PHE 372 CO 0.01 -0.36 0.93 1.28 -1.46 0.00 0.00 175.22 175.62 1xr6 n LEU 373 N 4.48 -2.62 0.00 6.12 4.77 -1.26 -1.33 117.00 127.16 1xr6 n LEU 373 Ca -0.21 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1xr6 n LEU 373 Cb 0.54 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 38.98 1xr6 n LEU 373 CO 0.07 0.44 0.00 0.29 -1.33 0.00 0.00 177.39 176.87 1xr6 n LYS 374 N -4.57 -0.71 -4.80 3.23 5.02 -1.26 -5.00 118.16 110.07 1xr6 n LYS 374 Ca 0.01 0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 56.15 1xr6 n LYS 374 Cb 0.54 -3.83 -0.15 0.00 -0.02 0.00 0.00 35.03 31.57 1xr6 n LYS 374 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xr6 s ARG 375 N -0.84 3.34 0.75 1.97 0.52 -0.44 -4.28 118.95 119.97 1xr6 s ARG 375 Ca 0.00 -0.71 -0.13 0.00 -0.52 0.00 0.00 55.73 54.37 1xr6 s ARG 375 Cb 0.00 -2.60 0.18 0.00 0.52 0.00 0.00 34.95 33.05 1xr6 s ARG 375 CO 0.00 0.19 0.88 0.41 0.02 0.00 0.00 175.30 176.81 1xr6 n GLY 376 N 3.57 -1.81 3.08 -3.53 0.00 0.10 -1.96 105.19 104.64 1xr6 n GLY 376 Ca -0.18 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 1xr6 n GLY 376 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xr6 s PHE 377 N -2.84 1.78 -0.15 1.61 0.08 -1.26 -1.68 117.98 115.53 1xr6 s PHE 377 Ca 0.52 -0.70 -0.05 0.00 0.12 0.00 0.00 56.93 56.83 1xr6 s PHE 377 Cb -0.03 -1.26 0.07 0.00 -0.57 0.00 0.00 43.02 41.24 1xr6 s PHE 377 CO 0.38 -0.33 0.28 0.21 -0.10 0.00 0.00 175.22 175.66 1xr6 s LYS 378 N 0.60 0.17 0.51 0.44 2.20 -0.91 -4.68 119.74 118.08 1xr6 s LYS 378 Ca -0.15 0.72 -0.19 0.00 -0.36 0.00 0.00 55.97 55.99 1xr6 s LYS 378 Cb -0.16 -0.11 -0.07 0.00 -1.51 0.00 0.00 37.83 35.97 1xr6 s LYS 378 CO 0.05 -0.33 1.04 1.14 -0.36 0.00 0.00 175.35 176.89 1xr6 s GLN 379 N 2.44 3.68 0.26 4.03 -2.07 -1.26 -0.18 119.66 126.56 1xr6 s GLN 379 Ca 0.02 1.32 -0.30 0.00 -1.82 0.00 0.00 55.36 54.59 1xr6 s GLN 379 Cb -0.12 -2.08 -0.10 0.00 -1.09 0.00 0.00 33.01 29.62 1xr6 s GLN 379 CO -0.09 -0.53 1.39 0.34 -1.32 0.00 0.00 175.29 175.07 1xr6 s ASP 380 N -2.19 6.71 0.50 12.60 -1.08 -0.21 -4.83 116.67 128.18 1xr6 s ASP 380 Ca 0.66 2.64 0.29 0.00 -0.52 0.00 0.00 52.55 55.63 1xr6 s ASP 380 Cb -0.16 -2.63 1.11 0.00 -1.46 0.00 0.00 42.92 39.78 1xr6 s ASP 380 CO 0.24 -0.64 1.89 -0.33 0.52 0.00 0.00 175.17 176.86 1xr6 h GLU 381 N 4.64 0.00 0.00 4.34 5.08 -1.94 -3.14 114.58 123.55 1xr6 h GLU 381 Ca -0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.77 1xr6 h GLU 381 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1xr6 h GLU 381 CO 0.74 0.07 -1.18 1.17 -1.00 0.00 0.00 179.01 178.82 1xr6 n LYS 382 N -3.18 0.52 -3.57 2.33 4.81 -1.26 -4.76 118.16 113.05 1xr6 n LYS 382 Ca 0.01 0.39 -0.40 0.00 -0.87 0.00 0.00 58.31 57.43 1xr6 n LYS 382 Cb 0.37 -1.58 -0.07 0.00 0.02 0.00 0.00 35.03 33.77 1xr6 n LYS 382 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1xr6 s HIS 383 N -2.52 3.54 -1.37 5.64 3.76 -1.25 -4.95 115.29 118.14 1xr6 s HIS 383 Ca -0.26 -2.44 0.16 0.00 -0.15 0.00 0.00 55.06 52.37 1xr6 s HIS 383 Cb 0.06 -3.43 0.80 0.00 1.11 0.00 0.00 32.58 31.12 1xr6 s HIS 383 CO 0.40 -0.90 1.48 0.25 -0.85 0.00 0.00 174.74 175.12 1xr6 n THR 384 N 3.67 0.58 1.05 1.30 -2.24 -1.19 -1.60 114.28 115.86 1xr6 n THR 384 Ca 0.10 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.16 1xr6 n THR 384 Cb 0.41 -0.88 0.50 0.00 -2.10 0.00 0.00 70.33 68.26 1xr6 n THR 384 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1xr6 n PHE 385 N -1.32 0.00 -3.33 4.78 1.16 -1.26 -4.66 117.46 112.84 1xr6 n PHE 385 Ca 0.07 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.23 1xr6 n PHE 385 Cb 0.14 -0.38 -0.09 0.00 -1.61 0.00 0.00 39.48 37.54 1xr6 n PHE 385 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1xr6 s LEU 386 N -2.94 4.69 -0.23 5.98 1.43 -0.62 -4.77 118.68 122.22 1xr6 s LEU 386 Ca 0.15 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 1xr6 s LEU 386 Cb 0.19 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1xr6 s LEU 386 CO 0.58 -0.52 0.05 -0.63 0.23 0.00 0.00 176.35 176.06 1xr6 s ILE 387 N 2.15 4.23 0.11 -0.59 1.09 -1.26 -1.05 121.20 125.88 1xr6 s ILE 387 Ca 0.13 -0.21 -0.31 0.00 -1.10 0.00 0.00 60.65 59.16 1xr6 s ILE 387 Cb -0.17 -2.95 -0.07 0.00 -1.06 0.00 0.00 42.46 38.21 1xr6 s ILE 387 CO 0.13 0.38 1.31 -1.00 -0.10 0.00 0.00 174.94 175.66 1xr6 s HIS 388 N 1.32 3.32 -0.27 3.97 3.76 0.75 -4.18 115.29 123.96 1xr6 s HIS 388 Ca 0.05 1.12 -0.29 0.00 -0.15 0.00 0.00 55.06 55.79 1xr6 s HIS 388 Cb -0.15 -3.58 -0.00 0.00 1.11 0.00 0.00 32.58 29.97 1xr6 s HIS 388 CO 0.03 -1.90 1.29 -1.25 -0.85 0.00 0.00 174.74 172.05 1xr6 s PRO 389 N 0.84 3.99 -0.38 8.40 0.04 -1.26 -2.13 135.00 144.50 1xr6 s PRO 389 Ca 0.61 1.34 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 1xr6 s PRO 389 Cb -0.34 -3.85 0.01 0.00 0.04 0.00 0.00 34.50 30.35 1xr6 s PRO 389 CO 0.31 -1.02 0.65 0.99 0.04 0.00 0.00 177.00 177.97 1xr6 s THR 390 N 4.17 4.86 -0.01 1.26 2.01 -0.68 -4.71 115.64 122.54 1xr6 s THR 390 Ca 0.56 0.51 -0.11 0.00 0.31 0.00 0.00 61.69 62.96 1xr6 s THR 390 Cb -0.18 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1xr6 s THR 390 CO 0.21 -0.39 0.33 0.12 -0.69 0.00 0.00 174.62 174.20 1xr6 s PHE 391 N 2.78 3.66 0.02 4.92 5.36 -1.26 -0.72 117.98 132.73 1xr6 s PHE 391 Ca 0.25 0.81 -0.30 0.00 -0.96 0.00 0.00 56.93 56.72 1xr6 s PHE 391 Cb -0.14 -2.15 -0.07 0.00 -0.34 0.00 0.00 43.02 40.31 1xr6 s PHE 391 CO 0.16 0.64 1.60 -1.25 -1.46 0.00 0.00 175.22 174.90 1xr6 s PRO 392 N -1.32 4.21 0.24 10.12 0.04 -1.26 -4.88 135.00 142.16 1xr6 s PRO 392 Ca 0.24 2.21 -0.06 0.00 0.04 0.00 0.00 61.00 63.44 1xr6 s PRO 392 Cb -0.15 -3.70 0.33 0.00 0.04 0.00 0.00 34.50 31.02 1xr6 s PRO 392 CO 0.13 -0.73 1.86 0.28 0.04 0.00 0.00 177.00 178.57 1xr6 h VAL 393 N 5.04 1.06 -0.83 -0.36 2.07 -1.99 -2.18 116.25 119.07 1xr6 h VAL 393 Ca -0.41 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1xr6 h VAL 393 Cb 1.19 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1xr6 h VAL 393 CO 0.93 0.18 0.52 -0.08 0.02 0.00 0.00 177.57 179.14 1xr6 h GLU 394 N 0.99 1.10 -0.30 1.57 4.81 -2.00 -2.62 114.58 118.14 1xr6 h GLU 394 Ca 0.37 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1xr6 h GLU 394 Cb 0.15 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1xr6 h GLU 394 CO -0.16 0.75 -0.21 0.93 -0.73 0.00 0.00 179.01 179.59 1xr6 h GLU 395 N 1.13 0.56 -0.09 1.92 4.39 -1.79 -2.17 114.58 118.53 1xr6 h GLU 395 Ca 0.30 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1xr6 h GLU 395 Cb -0.09 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1xr6 h GLU 395 CO -0.06 0.73 0.04 0.82 -1.16 0.00 0.00 179.01 179.38 1xr6 h ILE 396 N 0.50 1.13 -0.80 3.13 2.04 -1.42 -1.43 117.51 120.66 1xr6 h ILE 396 Ca 0.08 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1xr6 h ILE 396 Cb 0.63 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 1xr6 h ILE 396 CO 0.04 0.12 0.45 1.88 0.00 0.00 0.00 178.15 180.65 1xr6 h TYR 397 N 0.00 1.09 -0.57 1.37 0.05 -1.41 -2.36 116.97 115.14 1xr6 h TYR 397 Ca 0.03 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.81 1xr6 h TYR 397 Cb 0.15 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 1xr6 h TYR 397 CO -0.02 0.75 0.36 1.49 -1.05 0.00 0.00 178.16 179.69 1xr6 h GLU 398 N 1.11 0.71 -0.37 4.88 4.57 -1.33 -3.22 114.58 120.93 1xr6 h GLU 398 Ca 0.28 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 58.26 1xr6 h GLU 398 Cb 0.01 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1xr6 h GLU 398 CO -0.05 0.47 -0.41 1.03 -1.18 0.00 0.00 179.01 178.87 1xr6 h SER 399 N 0.73 1.00 0.73 1.04 0.87 -0.77 -3.14 113.55 114.01 1xr6 h SER 399 Ca 0.22 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1xr6 h SER 399 Cb -0.04 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.63 1xr6 h SER 399 CO -0.07 1.27 0.00 -0.29 -0.53 0.00 0.00 176.83 177.22 1xr6 h ILE 400 N 0.74 0.00 0.00 2.23 2.10 -1.45 -2.98 117.51 118.15 1xr6 h ILE 400 Ca 0.05 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.74 1xr6 h ILE 400 Cb 1.01 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1xr6 h ILE 400 CO 0.10 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.71 1xr6 n ARG 401 N -2.35 0.22 -4.24 2.19 1.74 -1.19 -4.44 116.66 108.59 1xr6 n ARG 401 Ca 0.02 0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 1xr6 n ARG 401 Cb 0.23 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 1xr6 n ARG 401 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1xr6 s TRP 402 N -2.76 1.21 -0.19 -1.55 0.52 -1.13 -0.82 118.94 114.22 1xr6 s TRP 402 Ca 0.20 -0.87 -0.26 0.00 0.02 0.00 0.00 56.10 55.20 1xr6 s TRP 402 Cb 0.18 -0.66 0.07 0.00 -1.15 0.00 0.00 33.47 31.91 1xr6 s TRP 402 CO 0.46 -0.05 0.67 -0.08 0.02 0.00 0.00 176.95 177.97 1xr6 s THR 403 N -3.47 0.00 -0.15 2.01 -1.32 -0.33 -4.68 115.64 107.70 1xr6 s THR 403 Ca 0.19 -0.01 0.21 0.00 -1.21 0.00 0.00 61.69 60.86 1xr6 s THR 403 Cb 0.04 -0.96 -0.15 0.00 -1.51 0.00 0.00 72.50 69.92 1xr6 s THR 403 CO 0.01 -0.01 0.77 0.29 -2.21 0.00 0.00 174.62 173.47 1xr6 n LYS 404 N 2.11 0.63 -3.29 7.08 5.02 -1.26 -1.10 118.16 127.36 1xr6 n LYS 404 Ca -0.16 0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.01 1xr6 n LYS 404 Cb 0.56 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 1xr6 n LYS 404 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xr6 s LYS 405 N -3.30 0.73 0.63 1.97 2.20 -1.26 -4.86 119.74 115.85 1xr6 s LYS 405 Ca -0.04 -0.93 0.31 0.00 -0.36 0.00 0.00 55.97 54.95 1xr6 s LYS 405 Cb 0.11 -0.62 1.70 0.00 -1.51 0.00 0.00 37.83 37.50 1xr6 s LYS 405 CO 0.84 -1.23 2.01 -1.35 -0.36 0.00 0.00 175.35 175.26 1xr6 h PRO 406 N 6.72 0.00 0.00 4.03 0.11 -1.98 -1.07 132.00 139.81 1xr6 h PRO 406 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1xr6 h PRO 406 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1xr6 h PRO 406 CO 0.18 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.84 1xr6 n SER 407 N -3.29 0.04 -1.12 -2.05 3.41 -1.26 -3.22 113.62 106.14 1xr6 n SER 407 Ca 0.01 0.51 -0.04 0.00 -0.26 0.00 0.00 58.87 59.09 1xr6 n SER 407 Cb 0.39 -0.52 0.18 0.00 -0.26 0.00 0.00 64.21 64.00 1xr6 n SER 407 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xr6 n GLN 408 N -1.55 1.95 0.13 4.33 6.02 -0.40 -4.66 117.38 123.19 1xr6 n GLN 408 Ca 0.04 -3.33 0.03 0.00 -0.01 0.00 0.00 57.00 53.73 1xr6 n GLN 408 Cb 0.20 -1.82 0.40 0.00 1.02 0.00 0.00 30.24 30.05 1xr6 n GLN 408 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1xr6 h MET 409 N 1.14 0.22 -0.45 -1.09 2.86 -1.71 -2.43 114.93 113.48 1xr6 h MET 409 Ca 0.18 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1xr6 h MET 409 Cb 1.43 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.03 1xr6 h MET 409 CO 0.34 0.35 0.26 0.37 1.06 0.00 0.00 176.91 179.29 1xr6 h GLN 410 N 0.21 0.62 -0.29 1.72 5.75 -1.89 0.21 115.11 121.45 1xr6 h GLN 410 Ca 0.04 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 1xr6 h GLN 410 Cb 0.35 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 1xr6 h GLN 410 CO 0.02 0.48 -0.20 0.93 -2.65 0.00 0.00 178.83 177.41 1xr6 h GLU 411 N 0.59 0.64 -0.25 1.69 3.07 -1.89 -1.78 114.58 116.66 1xr6 h GLU 411 Ca 0.16 -0.31 0.04 0.00 -0.50 0.00 0.00 59.36 58.75 1xr6 h GLU 411 Cb 0.03 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 1xr6 h GLU 411 CO -0.03 0.90 0.04 1.25 -1.40 0.00 0.00 179.01 179.77 1xr6 h HIS 412 N 0.38 0.06 -0.42 4.33 2.76 -1.34 -1.66 115.15 119.26 1xr6 h HIS 412 Ca 0.06 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 1xr6 h HIS 412 Cb 0.75 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 1xr6 h HIS 412 CO 0.07 0.01 -0.03 0.28 -1.30 0.00 0.00 177.93 176.95 1xr6 h VAL 413 N 0.13 1.23 -0.66 5.26 2.07 -0.92 -2.44 116.25 120.91 1xr6 h VAL 413 Ca 0.11 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 1xr6 h VAL 413 Cb 0.12 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1xr6 h VAL 413 CO -0.16 0.34 0.14 -0.07 0.02 0.00 0.00 177.57 177.84 1xr6 h LEU 414 N 0.65 1.03 -0.51 2.57 3.38 -1.02 -1.23 115.31 120.17 1xr6 h LEU 414 Ca 0.13 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1xr6 h LEU 414 Cb 0.45 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1xr6 h LEU 414 CO 0.02 1.01 0.25 0.28 0.09 0.00 0.00 178.44 180.09 1xr6 h SER 415 N 1.00 0.34 0.53 -0.43 0.02 -0.91 -2.39 113.55 111.72 1xr6 h SER 415 Ca 0.20 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.08 1xr6 h SER 415 Cb 0.40 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1xr6 h SER 415 CO 0.01 0.24 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.35 1xr6 h LEU 416 N 0.48 0.00 -0.37 5.07 3.38 -1.13 -2.93 115.31 119.83 1xr6 h LEU 416 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1xr6 h LEU 416 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1xr6 h LEU 416 CO -0.17 0.51 -0.16 0.00 0.09 0.00 0.00 178.44 178.71 1xr6 h HIS 418 N 0.55 0.46 -0.17 0.00 3.86 -1.33 -2.38 115.15 116.14 1xr6 h HIS 418 Ca 0.08 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1xr6 h HIS 418 Cb 0.70 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 1xr6 h HIS 418 CO 0.06 0.47 -0.23 -0.07 0.86 0.00 0.00 177.93 179.02 1xr6 h LEU 419 N 0.43 0.49 0.14 2.43 4.07 -1.40 -3.40 115.31 118.07 1xr6 h LEU 419 Ca 0.09 -0.51 -0.28 0.00 0.08 0.00 0.00 57.88 57.26 1xr6 h LEU 419 Cb 0.31 -0.14 0.03 0.00 1.08 0.00 0.00 40.66 41.94 1xr6 h LEU 419 CO 0.01 0.90 -1.19 -0.03 -1.08 0.00 0.00 178.44 177.05 1xr6 h MET 420 N 0.09 0.56 -0.03 1.13 4.05 -0.68 -3.31 114.93 116.74 1xr6 h MET 420 Ca 0.02 -0.79 0.01 0.00 -0.28 0.00 0.00 59.70 58.66 1xr6 h MET 420 Cb 0.79 0.27 -0.00 0.00 -0.80 0.00 0.00 31.60 31.86 1xr6 h MET 420 CO 0.05 1.36 0.06 0.11 0.23 0.00 0.00 176.91 178.72 1xr6 h TRP 421 N 0.15 0.00 -0.33 1.39 5.08 -1.65 -1.27 115.95 119.32 1xr6 h TRP 421 Ca -0.19 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.73 1xr6 h TRP 421 Cb 1.89 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 28.03 1xr6 h TRP 421 CO 0.13 0.00 -0.00 0.45 -1.28 0.00 0.00 178.44 177.74 1xr6 h HIS 422 N 0.00 0.54 0.00 0.12 3.86 -1.80 -2.54 115.15 115.32 1xr6 h HIS 422 Ca 0.02 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1xr6 h HIS 422 Cb 0.14 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1xr6 h HIS 422 CO 0.00 0.53 -0.03 -0.91 0.86 0.00 0.00 177.93 178.38 1xr6 h ASN 423 N 0.50 0.00 -3.46 2.45 2.35 -1.44 -3.46 115.58 112.52 1xr6 h ASN 423 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1xr6 h ASN 423 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1xr6 h ASN 423 CO 0.01 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 1xr6 n GLY 424 N -1.07 4.37 0.30 2.83 0.00 -0.96 -4.92 105.19 105.74 1xr6 n GLY 424 Ca -0.03 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 1xr6 n GLY 424 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xr6 h ARG 425 N 0.00 -0.64 -0.78 1.61 2.43 -1.93 -1.99 114.38 113.09 1xr6 h ARG 425 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1xr6 h ARG 425 Cb 0.00 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1xr6 h ARG 425 CO 0.00 -0.43 0.50 -0.22 -1.51 0.00 0.00 179.97 178.31 1xr6 h LYS 426 N -0.67 1.03 -0.42 0.20 1.63 -1.97 -1.43 116.57 114.95 1xr6 h LYS 426 Ca -0.06 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.57 1xr6 h LYS 426 Cb 0.53 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1xr6 h LYS 426 CO 0.08 0.70 -0.13 0.28 -3.45 0.00 0.00 179.45 176.93 1xr6 h VAL 427 N 1.06 1.26 -0.48 2.00 2.07 -1.90 -1.87 116.25 118.39 1xr6 h VAL 427 Ca 0.28 -1.19 -0.13 0.00 0.82 0.00 0.00 66.70 66.48 1xr6 h VAL 427 Cb -0.10 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1xr6 h VAL 427 CO -0.06 0.40 -0.22 0.22 0.02 0.00 0.00 177.57 177.94 1xr6 h TYR 428 N 0.69 1.13 0.00 1.57 3.20 -0.90 -2.03 116.97 120.63 1xr6 h TYR 428 Ca 0.11 -0.28 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 1xr6 h TYR 428 Cb 0.61 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1xr6 h TYR 428 CO 0.03 1.10 -0.02 0.93 -1.64 0.00 0.00 178.16 178.56 1xr6 h GLU 429 N 0.84 0.00 -0.01 1.82 4.39 -1.07 -1.61 114.58 118.94 1xr6 h GLU 429 Ca 0.11 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.59 1xr6 h GLU 429 Cb 0.80 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1xr6 h GLU 429 CO 0.07 0.02 -0.85 0.22 -1.16 0.00 0.00 179.01 177.31 1xr6 h ASP 430 N 0.00 0.77 -0.36 1.42 3.58 -1.13 -2.61 116.42 118.08 1xr6 h ASP 430 Ca -0.00 -0.74 -0.01 0.00 0.42 0.00 0.00 57.03 56.70 1xr6 h ASP 430 Cb 0.63 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1xr6 h ASP 430 CO 0.00 1.40 0.20 0.15 -2.88 0.00 0.00 179.24 178.11 1xr6 h PHE 431 N 0.21 0.50 -0.23 0.28 3.57 -1.13 -2.53 116.94 117.60 1xr6 h PHE 431 Ca -0.10 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1xr6 h PHE 431 Cb 1.52 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1xr6 h PHE 431 CO 0.12 0.40 0.11 0.77 -2.23 0.00 0.00 178.31 177.47 1xr6 h SER 432 N 0.46 0.31 -0.89 0.41 0.02 -1.36 -2.02 113.55 110.48 1xr6 h SER 432 Ca 0.13 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1xr6 h SER 432 Cb 0.06 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1xr6 h SER 432 CO -0.02 0.35 0.49 0.28 -1.14 0.00 0.00 176.83 176.80 1xr6 h SER 433 N 0.24 1.11 -0.28 3.07 0.02 -1.46 -1.55 113.55 114.69 1xr6 h SER 433 Ca 0.08 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 1xr6 h SER 433 Cb 0.13 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1xr6 h SER 433 CO -0.01 0.88 -0.35 0.11 -1.14 0.00 0.00 176.83 176.33 1xr6 h LYS 434 N 1.24 0.81 -0.82 3.45 1.57 -1.28 -1.36 116.57 120.18 1xr6 h LYS 434 Ca 0.31 -0.40 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1xr6 h LYS 434 Cb 0.02 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1xr6 h LYS 434 CO -0.05 1.03 0.54 0.82 -0.57 0.00 0.00 179.45 181.23 1xr6 h ILE 435 N 0.68 1.20 -0.24 1.86 2.04 -1.14 -2.69 117.51 119.22 1xr6 h ILE 435 Ca 0.07 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1xr6 h ILE 435 Cb 0.90 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1xr6 h ILE 435 CO 0.08 0.20 0.00 0.54 0.00 0.00 0.00 178.15 178.97 1xr6 n ARG 436 N -4.52 1.56 -0.01 2.37 1.74 -0.61 -3.59 116.66 113.61 1xr6 n ARG 436 Ca 0.09 -0.87 0.13 0.00 -0.77 0.00 0.00 57.85 56.42 1xr6 n ARG 436 Cb 0.02 -1.19 0.68 0.00 -1.02 0.00 0.00 32.46 30.95 1xr6 n ARG 436 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1xr6 n SER 437 N 0.21 0.47 -3.90 0.55 3.41 -0.55 -4.56 113.62 109.25 1xr6 n SER 437 Ca 0.08 -1.31 -0.11 0.00 -0.26 0.00 0.00 58.87 57.28 1xr6 n SER 437 Cb 0.21 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.02 1xr6 n SER 437 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xr6 s VAL 438 N -1.97 0.05 0.19 -3.33 1.01 -1.24 -5.08 120.40 110.03 1xr6 s VAL 438 Ca 0.38 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.72 1xr6 s VAL 438 Cb 0.18 -0.18 0.09 0.00 0.00 0.00 0.00 36.38 36.48 1xr6 s VAL 438 CO 0.30 -0.23 1.57 0.28 0.00 0.00 0.00 175.10 177.02 1xr6 h SER 439 N 5.35 -1.46 -0.49 3.32 0.02 -1.89 -0.77 113.55 117.64 1xr6 h SER 439 Ca -0.28 0.26 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1xr6 h SER 439 Cb 1.21 0.70 -0.03 0.00 0.14 0.00 0.00 62.40 64.42 1xr6 h SER 439 CO 0.45 -0.31 0.33 0.00 -1.14 0.00 0.00 176.83 176.15 1xr6 h ALA 440 N 0.86 1.87 -0.11 3.77 0.00 -1.96 -2.08 119.26 121.61 1xr6 h ALA 440 Ca 0.23 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 1xr6 h ALA 440 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xr6 h ALA 440 CO -0.77 0.06 -0.75 0.78 0.00 0.00 0.00 179.25 178.56 1xr6 h GLY 441 N 0.47 0.64 1.67 0.00 0.00 -1.27 -3.20 103.07 101.37 1xr6 h GLY 441 Ca 0.21 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1xr6 h GLY 441 CO -0.05 0.81 0.10 3.21 0.00 0.00 0.00 176.54 180.60 1xr6 h ARG 442 N 0.40 0.43 0.00 4.80 2.47 -0.69 -2.47 114.38 119.31 1xr6 h ARG 442 Ca -0.04 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.56 1xr6 h ARG 442 Cb 1.35 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.58 1xr6 h ARG 442 CO 0.14 0.38 -0.28 0.00 0.56 0.00 0.00 179.97 180.77 1xr6 h ALA 443 N 1.68 1.23 -2.28 0.04 0.00 -1.47 -3.45 119.26 115.01 1xr6 h ALA 443 Ca 0.11 -0.26 -0.46 0.00 0.00 0.00 0.00 54.91 54.30 1xr6 h ALA 443 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xr6 h ALA 443 CO -0.01 0.35 0.35 -0.51 0.00 0.00 0.00 179.25 179.43 1xr6 s LEU 444 N -7.52 4.14 0.08 0.00 1.43 -0.93 -5.04 118.68 110.84 1xr6 s LEU 444 Ca -0.02 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 54.56 1xr6 s LEU 444 Cb 0.13 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.03 1xr6 s LEU 444 CO 0.67 -0.23 1.02 -0.47 0.23 0.00 0.00 176.35 177.56 1xr6 s TYR 445 N -1.88 3.69 -0.20 0.29 5.04 -1.26 -5.03 117.35 118.00 1xr6 s TYR 445 Ca 0.56 1.68 0.01 0.00 -2.44 0.00 0.00 57.07 56.88 1xr6 s TYR 445 Cb -0.14 -3.15 0.04 0.00 0.35 0.00 0.00 41.96 39.05 1xr6 s TYR 445 CO 0.19 -0.17 -0.12 0.96 -1.34 0.00 0.00 175.55 175.08 1xr6 s ILE 446 N 0.39 1.72 0.19 3.14 -5.25 -1.26 -4.89 121.20 115.24 1xr6 s ILE 446 Ca 0.50 -1.01 -0.32 0.00 -0.99 0.00 0.00 60.65 58.84 1xr6 s ILE 446 Cb -0.24 -1.75 -0.12 0.00 2.95 0.00 0.00 42.46 43.30 1xr6 s ILE 446 CO 0.30 0.23 1.74 -2.65 -1.79 0.00 0.00 174.94 172.77 1xr6 n PRO 447 N 4.67 2.74 -1.48 0.37 -0.02 -1.26 -4.94 135.00 135.08 1xr6 n PRO 447 Ca -0.16 0.99 -0.37 0.00 -2.02 0.00 0.00 63.50 61.95 1xr6 n PRO 447 Cb 0.47 -2.84 0.07 0.00 -0.02 0.00 0.00 33.50 31.17 1xr6 n PRO 447 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xr6 n PRO 448 N 4.29 0.66 -0.08 0.52 -0.02 -1.26 -4.88 135.00 134.22 1xr6 n PRO 448 Ca 0.17 0.27 -0.07 0.00 -2.02 0.00 0.00 63.50 61.85 1xr6 n PRO 448 Cb 0.35 -2.13 -0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1xr6 n PRO 448 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1xr6 h TYR 449 N 0.09 -0.11 0.00 6.00 3.20 -1.98 -2.60 116.97 121.57 1xr6 h TYR 449 Ca -0.48 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.40 1xr6 h TYR 449 Cb 1.36 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.72 1xr6 h TYR 449 CO 0.37 -0.10 -0.11 -0.44 -1.64 0.00 0.00 178.16 176.24 1xr6 h ASP 450 N 0.03 0.00 0.28 -2.11 3.32 -1.99 -0.37 116.42 115.58 1xr6 h ASP 450 Ca 0.14 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1xr6 h ASP 450 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1xr6 h ASP 450 CO -0.28 0.11 -0.14 0.25 -1.72 0.00 0.00 179.24 177.46 1xr6 h LEU 451 N 0.00 -0.32 -0.98 1.55 6.46 -1.83 -2.65 115.31 117.54 1xr6 h LEU 451 Ca -0.00 -0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1xr6 h LEU 451 Cb 0.27 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 1xr6 h LEU 451 CO 0.01 -0.06 0.64 -0.07 -0.62 0.00 0.00 178.44 178.35 1xr6 h LEU 452 N -0.59 1.10 -0.62 2.25 -0.00 -1.14 -1.03 115.31 115.28 1xr6 h LEU 452 Ca -0.04 -0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 57.73 1xr6 h LEU 452 Cb 0.43 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.80 1xr6 h LEU 452 CO 0.06 0.78 0.05 0.50 -0.00 0.00 0.00 178.44 179.83 1xr6 h LYS 453 N 1.29 1.06 0.00 1.13 3.64 -1.13 -2.11 116.57 120.45 1xr6 h LYS 453 Ca 0.37 -0.31 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 1xr6 h LYS 453 Cb -0.10 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1xr6 h LYS 453 CO -0.09 1.01 -1.03 0.45 -2.27 0.00 0.00 179.45 177.52 1xr6 h HIS 454 N 0.96 0.00 -0.36 1.91 3.86 -1.25 -2.26 115.15 118.02 1xr6 h HIS 454 Ca 0.18 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1xr6 h HIS 454 Cb 0.50 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 1xr6 h HIS 454 CO 0.04 0.76 0.20 1.49 0.86 0.00 0.00 177.93 181.28 1xr6 h GLU 455 N 0.00 0.48 -0.06 2.45 4.57 -1.12 0.05 114.58 120.95 1xr6 h GLU 455 Ca -0.08 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 1xr6 h GLU 455 Cb 1.65 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 1xr6 h GLU 455 CO 0.08 0.35 -0.11 2.35 -1.18 0.00 0.00 179.01 180.51 1xr6 h TRP 456 N 0.49 0.22 -0.39 0.92 7.01 -1.23 -3.20 115.95 119.77 1xr6 h TRP 456 Ca 0.13 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 1xr6 h TRP 456 Cb 0.00 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1xr6 h TRP 456 CO 0.00 0.69 0.15 1.88 -2.79 0.00 0.00 178.44 178.38 1xr6 h TYR 457 N -0.31 0.60 0.00 2.65 0.99 -1.27 -2.58 116.97 117.04 1xr6 h TYR 457 Ca 0.00 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1xr6 h TYR 457 Cb 0.68 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 38.23 1xr6 h TYR 457 CO 0.11 0.54 0.00 0.39 -0.00 0.00 0.00 178.16 179.20 1xr6 n GLU 458 N -4.65 0.54 -0.01 4.88 1.02 -0.01 -2.25 120.64 120.16 1xr6 n GLU 458 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xr6 n GLU 458 Cb 0.15 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1xr6 n GLU 458 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xr6 n LYS 459 N 0.07 1.50 0.00 3.49 4.81 -0.97 -5.01 118.16 122.05 1xr6 n LYS 459 Ca 0.00 -0.02 0.15 0.00 -0.87 0.00 0.00 58.31 57.57 1xr6 n LYS 459 Cb 0.11 -1.11 0.80 0.00 0.02 0.00 0.00 35.03 34.85 1xr6 n LYS 459 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76