#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xr2 s THR 1 N 0.00 2.75 -0.05 1.97 2.01 -1.26 -5.00 115.64 116.06 1xr2 s THR 1 Ca 0.00 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.28 1xr2 s THR 1 Cb 0.00 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 1xr2 s THR 1 CO 0.00 -0.06 1.58 -0.75 -0.69 0.00 0.00 174.62 174.70 1xr2 s LYS 2 N 1.22 4.20 -0.14 4.92 2.20 -1.07 -4.91 119.74 126.16 1xr2 s LYS 2 Ca -0.06 2.12 -0.05 0.00 -0.36 0.00 0.00 55.97 57.63 1xr2 s LYS 2 Cb -0.20 -3.87 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 1xr2 s LYS 2 CO -0.02 -0.79 0.02 0.00 -0.36 0.00 0.00 175.35 174.20 1xr2 s ALA 3 N 3.64 3.28 0.30 3.13 0.00 -1.26 -1.47 121.76 129.37 1xr2 s ALA 3 Ca 0.70 -0.78 0.11 0.00 0.00 0.00 0.00 51.96 51.99 1xr2 s ALA 3 Cb -0.33 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 1xr2 s ALA 3 CO 0.28 0.33 -0.10 0.71 0.00 0.00 0.00 175.76 176.98 1xr2 s TYR 4 N -0.06 2.45 -0.10 0.00 2.02 0.15 -1.66 117.35 120.15 1xr2 s TYR 4 Ca 0.04 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 1xr2 s TYR 4 Cb -0.13 -1.18 0.07 0.00 -0.40 0.00 0.00 41.96 40.32 1xr2 s TYR 4 CO 0.02 0.63 0.70 0.00 -1.57 0.00 0.00 175.55 175.33 1xr2 s ALA 5 N -2.48 -1.78 0.12 3.71 0.00 -1.26 -3.96 121.76 116.12 1xr2 s ALA 5 Ca 0.32 1.49 -0.20 0.00 0.00 0.00 0.00 51.96 53.56 1xr2 s ALA 5 Cb -0.03 -0.29 0.05 0.00 0.00 0.00 0.00 23.12 22.84 1xr2 s ALA 5 CO 0.17 -0.36 0.50 -0.59 0.00 0.00 0.00 175.76 175.48 1xr2 s PHE 6 N -0.83 -0.38 -0.27 0.00 -0.71 -1.26 -4.67 117.98 109.86 1xr2 s PHE 6 Ca -0.08 0.17 0.00 0.00 -1.04 0.00 0.00 56.93 55.98 1xr2 s PHE 6 Cb -0.01 0.39 0.00 0.00 -1.21 0.00 0.00 43.02 42.19 1xr2 s PHE 6 CO 0.08 -0.75 0.00 0.41 -1.34 0.00 0.00 175.22 173.62 1xr2 n GLY 7 N -0.17 0.59 3.68 1.99 0.00 -1.26 -2.46 105.19 107.56 1xr2 n GLY 7 Ca -0.17 -0.55 -0.45 0.00 0.00 0.00 0.00 46.02 44.85 1xr2 n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xr2 n PHE 8 N -2.85 2.26 -1.44 1.61 -0.00 -1.26 0.69 117.46 116.46 1xr2 n PHE 8 Ca -0.03 0.37 -0.45 0.00 -0.00 0.00 0.00 57.45 57.35 1xr2 n PHE 8 Cb 0.12 -2.49 -0.02 0.00 -0.00 0.00 0.00 39.48 37.09 1xr2 n PHE 8 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1xr2 n PRO 9 N 2.38 0.42 -0.00 -7.13 -0.02 -1.26 -4.77 135.00 124.61 1xr2 n PRO 9 Ca 0.13 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.83 1xr2 n PRO 9 Cb 0.31 -1.29 -0.10 0.00 -0.02 0.00 0.00 33.50 32.40 1xr2 n PRO 9 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1xr2 n LYS 10 N 0.90 1.21 0.31 -0.52 2.85 -1.26 -4.57 118.16 117.09 1xr2 n LYS 10 Ca 0.14 -0.07 0.18 0.00 -1.05 0.00 0.00 58.31 57.51 1xr2 n LYS 10 Cb 0.31 -1.30 1.02 0.00 -0.65 0.00 0.00 35.03 34.42 1xr2 n LYS 10 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 177.40 176.51 1xr2 h ILE 11 N 0.00 0.30 0.00 0.58 3.07 -1.98 -3.43 117.51 116.05 1xr2 h ILE 11 Ca 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1xr2 h ILE 11 Cb 0.54 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 1xr2 h ILE 11 CO 0.00 0.01 0.00 0.61 -1.05 0.00 0.00 178.15 177.72 1xr2 n GLY 12 N -1.13 -1.52 0.24 0.16 0.00 -1.26 -1.97 105.19 99.71 1xr2 n GLY 12 Ca -0.03 -1.49 0.07 0.00 0.00 0.00 0.00 46.02 44.58 1xr2 n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xr2 h GLU 13 N 0.00 0.00 -0.26 1.61 5.08 -1.97 -2.56 114.58 116.48 1xr2 h GLU 13 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xr2 h GLU 13 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xr2 h GLU 13 CO 0.00 0.15 0.00 1.63 -1.00 0.00 0.00 179.01 179.79 1xr2 n LYS 14 N -4.19 2.87 -3.36 2.33 5.02 -1.26 -4.94 118.16 114.64 1xr2 n LYS 14 Ca -0.02 -2.80 -0.24 0.00 -2.02 0.00 0.00 58.31 53.23 1xr2 n LYS 14 Cb 0.22 -1.81 0.04 0.00 -0.02 0.00 0.00 35.03 33.47 1xr2 n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xr2 n ARG 15 N -0.49 -5.79 0.18 1.97 1.74 -0.97 -4.86 116.66 108.44 1xr2 n ARG 15 Ca 0.21 0.80 0.12 0.00 -0.77 0.00 0.00 57.85 58.20 1xr2 n ARG 15 Cb 0.86 -5.71 0.65 0.00 -1.02 0.00 0.00 32.46 27.25 1xr2 n ARG 15 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1xr2 h GLU 16 N -1.85 0.00 -0.26 5.56 3.07 -1.69 -1.89 114.58 117.52 1xr2 h GLU 16 Ca -0.54 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.27 1xr2 h GLU 16 Cb 1.36 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.26 1xr2 h GLU 16 CO 0.58 0.00 -0.04 0.35 -1.40 0.00 0.00 179.01 178.50 1xr2 h PHE 17 N 0.00 0.53 -0.20 4.33 3.04 -1.66 -1.76 116.94 121.22 1xr2 h PHE 17 Ca 0.08 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1xr2 h PHE 17 Cb 0.32 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1xr2 h PHE 17 CO -0.00 0.67 0.12 -0.22 -2.02 0.00 0.00 178.31 176.87 1xr2 h LYS 18 N 0.23 0.26 -0.25 1.11 3.64 -1.58 -2.44 116.57 117.55 1xr2 h LYS 18 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1xr2 h LYS 18 Cb 0.49 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1xr2 h LYS 18 CO 0.02 0.20 0.14 0.87 -2.27 0.00 0.00 179.45 178.41 1xr2 h LYS 19 N 0.25 0.35 -0.48 1.90 1.57 -1.44 -1.64 116.57 117.08 1xr2 h LYS 19 Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xr2 h LYS 19 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1xr2 h LYS 19 CO -0.01 0.32 0.30 0.00 -0.57 0.00 0.00 179.45 179.48 1xr2 h ALA 20 N 1.01 0.61 -0.01 3.86 0.00 -1.28 0.24 119.26 123.70 1xr2 h ALA 20 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xr2 h ALA 20 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xr2 h ALA 20 CO -0.01 0.09 0.00 1.25 0.00 0.00 0.00 179.25 180.58 1xr2 h LEU 21 N 0.65 0.01 -0.63 0.00 5.85 -1.36 -0.46 115.31 119.36 1xr2 h LEU 21 Ca 0.17 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 1xr2 h LEU 21 Cb -0.03 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1xr2 h LEU 21 CO -0.03 0.05 -0.37 -0.33 -0.34 0.00 0.00 178.44 177.42 1xr2 h GLU 22 N -0.04 0.66 -0.51 1.25 5.08 -1.14 -2.05 114.58 117.84 1xr2 h GLU 22 Ca 0.00 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1xr2 h GLU 22 Cb 0.05 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1xr2 h GLU 22 CO -0.00 0.92 0.11 -0.44 -1.00 0.00 0.00 179.01 178.61 1xr2 h ASP 23 N 0.55 0.78 -0.87 1.42 3.32 -0.42 -0.91 116.42 120.29 1xr2 h ASP 23 Ca 0.05 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1xr2 h ASP 23 Cb 0.88 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1xr2 h ASP 23 CO 0.08 0.82 0.52 0.15 -1.72 0.00 0.00 179.24 179.08 1xr2 h PHE 24 N 0.70 1.16 -0.31 4.55 3.57 -0.92 -0.22 116.94 125.47 1xr2 h PHE 24 Ca 0.16 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1xr2 h PHE 24 Cb 0.35 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1xr2 h PHE 24 CO 0.02 0.78 -0.10 -1.49 -2.23 0.00 0.00 178.31 175.29 1xr2 h TRP 25 N 1.20 0.70 0.00 0.41 6.55 -1.17 -2.75 115.95 120.89 1xr2 h TRP 25 Ca 0.31 -0.16 0.00 0.00 0.95 0.00 0.00 58.89 59.99 1xr2 h TRP 25 Cb -0.03 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.10 1xr2 h TRP 25 CO 0.00 0.81 0.00 1.63 -1.05 0.00 0.00 178.44 179.83 1xr2 n LYS 26 N -4.44 0.20 -0.42 0.49 4.01 -0.36 -4.87 118.16 112.76 1xr2 n LYS 26 Ca -0.03 0.47 0.00 0.00 -0.51 0.00 0.00 58.31 58.24 1xr2 n LYS 26 Cb 0.34 -1.91 0.00 0.00 -0.51 0.00 0.00 35.03 32.95 1xr2 n LYS 26 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xr2 n GLY 27 N -0.22 0.74 0.22 0.72 0.00 -0.27 -4.96 105.19 101.42 1xr2 n GLY 27 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1xr2 n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xr2 h LYS 28 N 3.70 0.00 -5.08 1.61 5.09 -1.36 -3.45 116.57 117.08 1xr2 h LYS 28 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.40 1xr2 h LYS 28 Cb 0.00 0.00 -0.17 0.00 0.10 0.00 0.00 32.23 32.16 1xr2 h LYS 28 CO 0.00 0.25 -0.73 0.96 -2.09 0.00 0.00 179.45 177.83 1xr2 s ILE 29 N -4.00 1.07 0.79 0.07 -5.25 -1.23 -5.00 121.20 107.66 1xr2 s ILE 29 Ca -0.02 -1.74 -0.08 0.00 -0.99 0.00 0.00 60.65 57.82 1xr2 s ILE 29 Cb 0.13 -1.50 0.12 0.00 2.95 0.00 0.00 42.46 44.16 1xr2 s ILE 29 CO 0.65 -0.57 1.11 0.42 -1.79 0.00 0.00 174.94 174.76 1xr2 s THR 30 N -2.56 2.14 0.18 8.37 -4.23 -1.26 -4.56 115.64 113.72 1xr2 s THR 30 Ca 0.09 -0.27 -0.09 0.00 -1.18 0.00 0.00 61.69 60.23 1xr2 s THR 30 Cb -0.02 -2.87 0.08 0.00 1.34 0.00 0.00 72.50 71.03 1xr2 s THR 30 CO 0.01 0.00 1.67 1.05 -0.54 0.00 0.00 174.62 176.81 1xr2 h GLU 31 N -0.92 1.08 -0.13 3.99 9.09 -1.98 0.13 114.58 125.84 1xr2 h GLU 31 Ca -0.42 -0.31 -0.04 0.00 0.05 0.00 0.00 59.36 58.65 1xr2 h GLU 31 Cb 1.28 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1xr2 h GLU 31 CO 0.48 1.01 -0.08 1.05 0.05 0.00 0.00 179.01 181.52 1xr2 h GLU 32 N 0.99 0.19 0.17 1.06 9.09 -1.99 -0.54 114.58 123.55 1xr2 h GLU 32 Ca 0.19 -0.03 -0.31 0.00 0.05 0.00 0.00 59.36 59.25 1xr2 h GLU 32 Cb 0.47 -0.03 0.03 0.00 -1.65 0.00 0.00 28.75 27.58 1xr2 h GLU 32 CO 0.02 0.29 -1.33 1.96 0.05 0.00 0.00 179.01 180.00 1xr2 h GLN 33 N 0.19 0.60 -0.56 1.06 4.20 -1.78 -2.65 115.11 116.17 1xr2 h GLN 33 Ca 0.04 -0.87 0.07 0.00 0.06 0.00 0.00 58.65 57.94 1xr2 h GLN 33 Cb 0.27 0.30 -0.06 0.00 0.30 0.00 0.00 27.48 28.30 1xr2 h GLN 33 CO 0.01 1.41 0.25 0.35 -0.67 0.00 0.00 178.83 180.18 1xr2 h PHE 34 N 0.23 0.45 -0.55 2.96 3.57 -0.15 -2.02 116.94 121.43 1xr2 h PHE 34 Ca -0.21 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.22 1xr2 h PHE 34 Cb 2.01 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.61 1xr2 h PHE 34 CO 0.12 0.18 -0.01 0.93 -2.23 0.00 0.00 178.31 177.30 1xr2 h GLU 35 N 0.47 0.95 -0.70 1.11 4.39 -1.17 -2.17 114.58 117.45 1xr2 h GLU 35 Ca 0.26 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.70 1xr2 h GLU 35 Cb 0.24 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1xr2 h GLU 35 CO -0.22 0.94 0.44 0.93 -1.16 0.00 0.00 179.01 179.94 1xr2 h GLU 36 N 0.87 0.85 -0.42 2.33 4.39 -1.01 0.20 114.58 121.79 1xr2 h GLU 36 Ca 0.16 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1xr2 h GLU 36 Cb 0.53 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1xr2 h GLU 36 CO 0.03 0.56 0.02 1.05 -1.16 0.00 0.00 179.01 179.50 1xr2 h GLU 37 N 0.87 0.72 -0.43 2.33 -0.00 -1.26 -2.42 114.58 114.40 1xr2 h GLU 37 Ca 0.28 -0.22 0.01 0.00 -0.00 0.00 0.00 59.36 59.43 1xr2 h GLU 37 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 28.66 1xr2 h GLU 37 CO -0.10 0.79 0.27 0.52 -0.00 0.00 0.00 179.01 180.49 1xr2 h MET 38 N 0.56 0.53 -0.86 1.06 2.07 -0.75 -1.62 114.93 115.93 1xr2 h MET 38 Ca 0.12 -0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.74 1xr2 h MET 38 Cb 0.46 -0.12 -0.05 0.00 -1.87 0.00 0.00 31.60 30.02 1xr2 h MET 38 CO 0.02 0.35 0.57 -0.91 1.07 0.00 0.00 176.91 178.01 1xr2 h ASN 39 N 0.55 0.96 -0.90 1.22 2.35 -0.48 0.34 115.58 119.62 1xr2 h ASN 39 Ca 0.16 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1xr2 h ASN 39 Cb -0.03 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 1xr2 h ASN 39 CO -0.05 0.68 0.49 0.11 -1.65 0.00 0.00 177.43 177.01 1xr2 h LYS 40 N 1.13 1.26 -0.75 0.81 1.57 -0.90 -1.63 116.57 118.06 1xr2 h LYS 40 Ca 0.33 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1xr2 h LYS 40 Cb -0.07 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 1xr2 h LYS 40 CO -0.08 0.92 0.25 -0.07 -0.57 0.00 0.00 179.45 179.89 1xr2 h LEU 41 N 1.26 1.08 -0.47 2.94 3.38 -0.16 -0.74 115.31 122.59 1xr2 h LEU 41 Ca 0.32 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1xr2 h LEU 41 Cb 0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1xr2 h LEU 41 CO -0.05 0.99 0.25 0.03 0.09 0.00 0.00 178.44 179.75 1xr2 h ARG 42 N 1.10 0.49 -0.53 1.13 3.08 -0.21 -0.83 114.38 118.60 1xr2 h ARG 42 Ca 0.24 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 1xr2 h ARG 42 Cb 0.29 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1xr2 h ARG 42 CO -0.01 0.33 0.07 0.52 -1.07 0.00 0.00 179.97 179.80 1xr2 h MET 43 N 0.51 0.90 -0.56 0.04 2.86 -0.98 -1.54 114.93 116.15 1xr2 h MET 43 Ca 0.20 -0.25 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1xr2 h MET 43 Cb 0.06 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.58 1xr2 h MET 43 CO -0.11 0.88 0.28 -0.92 1.06 0.00 0.00 176.91 178.10 1xr2 h TYR 44 N 0.78 0.52 0.25 -0.22 3.20 -0.72 -0.69 116.97 120.08 1xr2 h TYR 44 Ca 0.16 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1xr2 h TYR 44 Cb 0.44 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1xr2 h TYR 44 CO 0.03 0.24 -0.12 0.52 -1.64 0.00 0.00 178.16 177.20 1xr2 h MET 45 N 0.54 -0.32 0.00 1.82 2.86 -0.91 -2.42 114.93 116.50 1xr2 h MET 45 Ca 0.25 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 1xr2 h MET 45 Cb 0.17 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1xr2 h MET 45 CO -0.18 -0.07 -0.06 -0.39 1.06 0.00 0.00 176.91 177.27 1xr2 h VAL 46 N -0.54 0.27 0.09 -2.22 -1.51 -1.14 -1.94 116.25 109.26 1xr2 h VAL 46 Ca -0.03 -0.44 -0.28 0.00 -1.23 0.00 0.00 66.70 64.72 1xr2 h VAL 46 Cb 0.40 1.34 0.02 0.00 -2.13 0.00 0.00 31.29 30.92 1xr2 h VAL 46 CO 0.06 0.06 -1.17 -0.08 -1.23 0.00 0.00 177.57 175.21 1xr2 h GLU 47 N 0.00 0.49 -0.43 5.19 4.57 -1.02 -1.41 114.58 121.98 1xr2 h GLU 47 Ca -0.00 -0.65 0.02 0.00 -1.18 0.00 0.00 59.36 57.54 1xr2 h GLU 47 Cb 0.33 0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 1xr2 h GLU 47 CO 0.01 1.27 0.26 -0.91 -1.18 0.00 0.00 179.01 178.46 1xr2 h ASN 48 N 0.22 0.42 0.52 1.04 2.35 -0.88 -2.47 115.58 116.77 1xr2 h ASN 48 Ca -0.15 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 1xr2 h ASN 48 Cb 1.84 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 40.13 1xr2 h ASN 48 CO 0.21 0.30 -0.25 1.88 -1.65 0.00 0.00 177.43 177.93 1xr2 h TYR 49 N 0.52 -0.65 -0.72 1.19 0.05 -1.36 -3.20 116.97 112.81 1xr2 h TYR 49 Ca 0.17 -0.02 0.16 0.00 0.05 0.00 0.00 58.73 59.09 1xr2 h TYR 49 Cb 0.00 0.21 -0.11 0.00 1.01 0.00 0.00 36.73 37.84 1xr2 h TYR 49 CO -0.07 -0.38 0.13 0.00 -1.05 0.00 0.00 178.16 176.79 1xr2 h ARG 50 N -0.74 0.21 0.00 4.88 -0.00 -1.12 0.26 114.38 117.87 1xr2 h ARG 50 Ca -0.07 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 1xr2 h ARG 50 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.47 1xr2 h ARG 50 CO 0.12 0.14 0.00 0.87 0.00 0.00 0.00 179.97 181.10 1xr2 h LYS 51 N 0.22 0.00 0.00 0.04 1.57 -1.44 -3.34 116.57 113.62 1xr2 h LYS 51 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1xr2 h LYS 51 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1xr2 h LYS 51 CO -0.54 0.00 -0.77 0.09 -0.57 0.00 0.00 179.45 177.67 1xr2 n ASN 52 N -2.76 3.62 -4.41 0.86 3.02 0.59 -5.03 115.26 111.15 1xr2 n ASN 52 Ca -0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.28 1xr2 n ASN 52 Cb 0.06 0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 39.41 1xr2 n ASN 52 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xr2 s VAL 53 N -1.77 1.09 -0.05 2.41 -7.23 0.55 -4.00 120.40 111.41 1xr2 s VAL 53 Ca 0.00 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 1xr2 s VAL 53 Cb 0.00 -2.62 -0.24 0.00 0.56 0.00 0.00 36.38 34.07 1xr2 s VAL 53 CO 0.00 0.00 0.65 0.44 -0.31 0.00 0.00 175.10 175.88 1xr2 h ASP 54 N 1.92 0.15 -3.75 4.85 3.32 -1.61 -3.40 116.42 117.89 1xr2 h ASP 54 Ca -0.40 -0.29 -0.63 0.00 0.02 0.00 0.00 57.03 55.72 1xr2 h ASP 54 Cb 1.26 -0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.60 1xr2 h ASP 54 CO 0.68 1.26 -0.52 -0.69 -1.72 0.00 0.00 179.24 178.24 1xr2 s VAL 55 N -2.60 5.26 -0.40 -1.35 1.01 -1.06 -5.02 120.40 116.25 1xr2 s VAL 55 Ca -0.09 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 1xr2 s VAL 55 Cb 0.08 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 33.00 1xr2 s VAL 55 CO 0.82 0.30 0.26 -0.63 0.00 0.00 0.00 175.10 175.85 1xr2 s ILE 56 N 1.44 4.97 0.63 2.22 1.01 -1.26 -4.46 121.20 125.75 1xr2 s ILE 56 Ca 0.07 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 1xr2 s ILE 56 Cb -0.15 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 1xr2 s ILE 56 CO 0.08 -0.29 1.07 -2.84 0.00 0.00 0.00 174.94 172.96 1xr2 s PRO 57 N 1.63 3.11 0.32 2.79 0.02 -1.26 0.12 135.00 141.72 1xr2 s PRO 57 Ca 0.04 1.21 0.05 0.00 0.02 0.00 0.00 61.00 62.32 1xr2 s PRO 57 Cb -0.19 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 1xr2 s PRO 57 CO 0.09 -0.98 0.22 -1.54 -0.33 0.00 0.00 177.00 174.46 1xr2 s SER 58 N -2.89 1.56 -1.23 2.53 1.04 -1.05 -4.69 113.70 108.96 1xr2 s SER 58 Ca 0.63 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1xr2 s SER 58 Cb -0.17 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1xr2 s SER 58 CO 0.41 -0.99 0.00 -3.20 0.98 0.00 0.00 173.24 170.44 1xr2 n ASN 59 N -1.23 -4.31 -0.09 7.02 5.15 -1.26 -0.56 115.26 119.98 1xr2 n ASN 59 Ca 0.04 0.08 -0.09 0.00 -0.60 0.00 0.00 54.58 54.02 1xr2 n ASN 59 Cb 0.64 -3.35 -0.14 0.00 -0.53 0.00 0.00 39.78 36.40 1xr2 n ASN 59 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xr2 n GLU 60 N -2.38 1.13 -2.38 1.20 1.02 -1.26 -4.62 120.64 113.34 1xr2 n GLU 60 Ca -0.15 -0.01 -0.37 0.00 -0.02 0.00 0.00 57.16 56.61 1xr2 n GLU 60 Cb 0.57 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 1xr2 n GLU 60 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1xr2 s LEU 61 N -5.31 3.47 0.13 -4.62 2.96 -1.26 -4.96 118.68 109.08 1xr2 s LEU 61 Ca -0.09 -1.73 -0.26 0.00 -0.22 0.00 0.00 54.13 51.83 1xr2 s LEU 61 Cb 0.05 -2.58 -0.07 0.00 0.50 0.00 0.00 46.19 44.10 1xr2 s LEU 61 CO 0.71 -1.94 0.79 -0.55 -1.32 0.00 0.00 176.35 174.04 1xr2 s SER 62 N 5.53 7.35 0.00 3.68 0.15 -1.26 -4.95 113.70 124.19 1xr2 s SER 62 Ca 0.58 1.60 0.25 0.00 0.70 0.00 0.00 55.95 59.07 1xr2 s SER 62 Cb 0.00 -2.50 1.49 0.00 -1.71 0.00 0.00 66.02 63.31 1xr2 s SER 62 CO 0.03 0.13 1.86 -1.22 1.20 0.00 0.00 173.24 175.24 1xr2 n TYR 63 N 2.04 0.00 0.12 3.44 4.01 -1.26 -4.63 117.16 120.89 1xr2 n TYR 63 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1xr2 n TYR 63 Cb 0.49 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1xr2 n TYR 63 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1xr2 n TYR 64 N -1.01 -3.45 -3.69 -0.72 4.19 -1.26 -5.00 117.16 106.22 1xr2 n TYR 64 Ca 0.19 0.85 -0.11 0.00 3.31 0.00 0.00 57.90 62.14 1xr2 n TYR 64 Cb 0.09 2.30 -0.10 0.00 0.49 0.00 0.00 39.34 42.12 1xr2 n TYR 64 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1xr2 s ASP 65 N -2.00 -0.56 0.49 2.98 3.68 -1.26 -3.91 116.67 116.09 1xr2 s ASP 65 Ca 0.00 0.97 0.29 0.00 2.13 0.00 0.00 52.55 55.94 1xr2 s ASP 65 Cb 0.00 0.89 1.08 0.00 -1.45 0.00 0.00 42.92 43.44 1xr2 s ASP 65 CO 0.00 -0.19 1.88 2.19 0.13 0.00 0.00 175.17 179.18 1xr2 h PHE 66 N 6.64 0.00 0.10 -5.34 -5.15 -1.94 -1.01 116.94 110.24 1xr2 h PHE 66 Ca -0.33 0.00 -0.26 0.00 -0.20 0.00 0.00 57.97 57.17 1xr2 h PHE 66 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 1xr2 h PHE 66 CO 0.27 0.09 -1.18 0.28 -2.00 0.00 0.00 178.31 175.77 1xr2 h VAL 67 N 0.00 1.49 -0.66 0.88 2.07 -1.96 -2.28 116.25 115.79 1xr2 h VAL 67 Ca -0.00 -2.97 -0.06 0.00 0.82 0.00 0.00 66.70 64.49 1xr2 h VAL 67 Cb 0.66 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 1xr2 h VAL 67 CO 0.01 0.87 0.17 0.25 0.02 0.00 0.00 177.57 178.89 1xr2 h LEU 68 N 0.10 1.00 -0.54 2.57 5.85 -1.68 -1.89 115.31 120.72 1xr2 h LEU 68 Ca -0.12 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1xr2 h LEU 68 Cb 1.89 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.61 1xr2 h LEU 68 CO 0.19 0.96 0.27 0.44 -0.34 0.00 0.00 178.44 179.97 1xr2 h ASP 69 N 0.98 0.39 -0.87 1.25 3.32 -1.13 -0.49 116.42 119.87 1xr2 h ASP 69 Ca 0.21 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.32 1xr2 h ASP 69 Cb 0.35 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 1xr2 h ASP 69 CO -0.00 0.27 0.58 0.74 -1.72 0.00 0.00 179.24 179.10 1xr2 h THR 70 N 0.53 1.17 -0.21 0.35 2.02 -0.86 0.01 112.91 115.92 1xr2 h THR 70 Ca 0.24 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1xr2 h THR 70 Cb 0.15 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1xr2 h THR 70 CO -0.17 0.21 0.05 0.00 0.37 0.00 0.00 175.52 175.98 1xr2 h ALA 71 N 1.48 0.27 -0.38 6.16 0.00 -0.49 -2.52 119.26 123.78 1xr2 h ALA 71 Ca 0.34 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1xr2 h ALA 71 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1xr2 h ALA 71 CO -0.09 -0.08 0.17 0.28 0.00 0.00 0.00 179.25 179.53 1xr2 h VAL 72 N 0.15 0.94 -0.49 0.00 2.07 -0.52 0.18 116.25 118.59 1xr2 h VAL 72 Ca 0.07 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.56 1xr2 h VAL 72 Cb 0.27 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 30.52 1xr2 h VAL 72 CO 0.00 0.06 -0.08 -0.03 0.02 0.00 0.00 177.57 177.55 1xr2 h MET 73 N 0.35 0.04 -0.79 1.57 -1.53 -0.80 -1.37 114.93 112.40 1xr2 h MET 73 Ca 0.17 -0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.39 1xr2 h MET 73 Cb 0.10 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.12 1xr2 h MET 73 CO -0.14 0.03 0.05 1.33 0.14 0.00 0.00 176.91 178.32 1xr2 n VAL 74 N -5.31 1.69 -1.04 -5.77 0.24 -0.97 -1.26 118.33 105.92 1xr2 n VAL 74 Ca 0.05 -0.85 -0.01 0.00 -2.04 0.00 0.00 64.34 61.48 1xr2 n VAL 74 Cb 0.27 -0.41 -0.01 0.00 -1.47 0.00 0.00 33.84 32.22 1xr2 n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xr2 n GLY 75 N 0.26 0.38 3.23 7.63 0.00 -0.51 -2.93 105.19 113.25 1xr2 n GLY 75 Ca 0.18 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1xr2 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr2 n ALA 76 N 1.03 3.73 -3.77 4.61 0.00 0.58 -4.86 120.51 121.83 1xr2 n ALA 76 Ca -0.01 -3.58 -0.34 0.00 0.00 0.00 0.00 53.44 49.51 1xr2 n ALA 76 Cb 0.26 -3.57 -0.14 0.00 0.00 0.00 0.00 19.45 16.00 1xr2 n ALA 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xr2 s VAL 77 N 5.45 2.75 0.40 0.00 1.01 -1.26 -4.55 120.40 124.19 1xr2 s VAL 77 Ca 0.56 -1.47 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 1xr2 s VAL 77 Cb 0.08 -2.59 -0.11 0.00 0.00 0.00 0.00 36.38 33.76 1xr2 s VAL 77 CO 0.05 -0.09 0.96 -2.65 0.00 0.00 0.00 175.10 173.37 1xr2 n PRO 78 N 4.56 1.27 -0.28 2.72 -0.02 -1.26 -4.86 135.00 137.13 1xr2 n PRO 78 Ca -0.13 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 61.98 1xr2 n PRO 78 Cb 0.43 -1.96 0.45 0.00 -0.02 0.00 0.00 33.50 32.40 1xr2 n PRO 78 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1xr2 h GLU 79 N 1.53 0.50 0.00 -0.52 9.09 -1.97 -1.90 114.58 121.32 1xr2 h GLU 79 Ca -0.43 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1xr2 h GLU 79 Cb 1.34 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1xr2 h GLU 79 CO 0.57 0.33 0.06 2.89 0.05 0.00 0.00 179.01 182.91 1xr2 n ARG 80 N -4.58 0.00 0.00 1.06 1.85 -1.26 -1.09 116.66 112.64 1xr2 n ARG 80 Ca 0.21 0.31 0.10 0.00 -1.00 0.00 0.00 57.85 57.46 1xr2 n ARG 80 Cb 0.67 -1.56 -0.07 0.00 -1.05 0.00 0.00 32.46 30.44 1xr2 n ARG 80 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1xr2 n PHE 81 N -1.29 0.00 -4.42 2.89 3.72 -0.71 -5.09 117.46 112.56 1xr2 n PHE 81 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1xr2 n PHE 81 Cb 0.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 1xr2 n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xr2 n GLY 82 N 1.42 -1.00 3.76 1.37 0.00 -0.25 -4.74 105.19 105.75 1xr2 n GLY 82 Ca 0.05 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1xr2 n GLY 82 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xr2 s GLU 83 N 0.00 4.21 -0.03 1.61 -1.05 -1.26 -4.91 118.70 117.27 1xr2 s GLU 83 Ca 0.00 2.41 -0.30 0.00 -0.15 0.00 0.00 54.97 56.94 1xr2 s GLU 83 Cb 0.00 -3.04 -0.06 0.00 -0.44 0.00 0.00 34.13 30.59 1xr2 s GLU 83 CO 0.00 -0.44 1.54 -0.47 0.95 0.00 0.00 175.26 176.84 1xr2 s TYR 84 N -0.63 2.40 -0.23 4.83 5.04 -1.26 -4.87 117.35 122.63 1xr2 s TYR 84 Ca 0.55 0.48 0.05 0.00 -2.44 0.00 0.00 57.07 55.72 1xr2 s TYR 84 Cb -0.44 -3.81 -0.17 0.00 0.35 0.00 0.00 41.96 37.89 1xr2 s TYR 84 CO 0.53 -3.22 -0.15 -2.13 -1.34 0.00 0.00 175.55 169.24 1xr2 n ARG 85 N 6.30 0.68 0.00 4.97 0.63 -1.26 -5.08 116.66 122.89 1xr2 n ARG 85 Ca 0.15 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1xr2 n ARG 85 Cb 0.43 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.86 1xr2 n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xr2 n GLY 86 N 2.24 0.05 0.30 5.14 0.00 -1.26 -4.94 105.19 106.73 1xr2 n GLY 86 Ca -0.40 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 44.69 1xr2 n GLY 86 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xr2 h LEU 87 N 0.00 -0.65 -0.71 0.99 3.38 -1.99 0.17 115.31 116.50 1xr2 h LEU 87 Ca 0.00 0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.32 1xr2 h LEU 87 Cb 0.00 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 1xr2 h LEU 87 CO 0.00 -0.26 0.32 0.77 0.09 0.00 0.00 178.44 179.35 1xr2 h SER 88 N 0.02 0.36 -0.20 -0.43 4.64 -1.99 0.17 113.55 116.12 1xr2 h SER 88 Ca 0.42 0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.69 1xr2 h SER 88 Cb 0.70 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1xr2 h SER 88 CO -0.82 0.19 -0.40 0.74 -0.87 0.00 0.00 176.83 175.67 1xr2 h THR 89 N 0.52 1.33 -0.36 2.95 2.02 -1.38 -2.61 112.91 115.37 1xr2 h THR 89 Ca 0.37 -1.62 0.05 0.00 0.77 0.00 0.00 66.41 65.97 1xr2 h THR 89 Cb 0.46 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 1xr2 h THR 89 CO -0.32 0.50 0.10 0.22 0.37 0.00 0.00 175.52 176.39 1xr2 h TYR 90 N 0.30 0.17 0.00 3.16 5.03 0.12 -1.63 116.97 124.12 1xr2 h TYR 90 Ca 0.01 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 1xr2 h TYR 90 Cb 1.00 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.24 1xr2 h TYR 90 CO 0.09 0.06 -0.29 0.74 -1.32 0.00 0.00 178.16 177.44 1xr2 h PHE 91 N 0.24 0.00 0.00 -3.82 0.05 -0.75 -2.10 116.94 110.56 1xr2 h PHE 91 Ca 0.17 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.86 1xr2 h PHE 91 Cb 0.17 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.10 1xr2 h PHE 91 CO -0.16 0.29 -0.46 -0.44 -0.18 0.00 0.00 178.31 177.35 1xr2 h ASP 92 N 0.00 0.00 1.31 2.17 3.32 -0.94 0.25 116.42 122.53 1xr2 h ASP 92 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1xr2 h ASP 92 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1xr2 h ASP 92 CO 0.04 0.46 -0.66 0.24 -1.72 0.00 0.00 179.24 177.60 1xr2 h MET 93 N 0.00 0.00 0.07 3.56 2.86 -0.87 -3.22 114.93 117.33 1xr2 h MET 93 Ca -0.00 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 1xr2 h MET 93 Cb 0.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1xr2 h MET 93 CO 0.06 0.66 -0.97 0.00 1.06 0.00 0.00 176.91 177.72 1xr2 h ALA 94 N 1.34 0.12 -3.20 6.32 0.00 -0.84 0.13 119.26 123.13 1xr2 h ALA 94 Ca -0.01 -0.92 -0.35 0.00 0.00 0.00 0.00 54.91 53.63 1xr2 h ALA 94 Cb 1.49 0.37 -0.21 0.00 0.00 0.00 0.00 17.79 19.44 1xr2 h ALA 94 CO 0.09 0.54 -0.76 -0.98 0.00 0.00 0.00 179.25 178.14 1xr2 s ARG 95 N -2.38 0.73 0.00 0.00 1.04 0.82 -4.68 118.95 114.49 1xr2 s ARG 95 Ca -0.21 -0.93 0.00 0.00 -1.04 0.00 0.00 55.73 53.55 1xr2 s ARG 95 Cb 0.02 -0.60 0.00 0.00 -2.04 0.00 0.00 34.95 32.33 1xr2 s ARG 95 CO 0.72 0.12 0.00 0.41 -0.04 0.00 0.00 175.30 176.51 1xr2 n GLY 96 N 1.19 1.26 0.30 3.88 0.00 -1.26 -4.31 105.19 106.26 1xr2 n GLY 96 Ca -0.21 -2.23 0.18 0.00 0.00 0.00 0.00 46.02 43.77 1xr2 n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xr2 h GLY 97 N 0.00 0.00 -1.26 -0.02 0.00 -2.00 -2.67 103.07 97.13 1xr2 h GLY 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xr2 h GLY 97 CO 0.00 0.00 -0.09 0.58 0.00 0.00 0.00 176.54 177.03 1xr2 n LYS 98 N -3.23 1.51 -1.22 4.80 0.00 -1.26 -5.04 118.16 113.73 1xr2 n LYS 98 Ca -0.01 -1.37 -0.36 0.00 -0.00 0.00 0.00 58.31 56.57 1xr2 n LYS 98 Cb 0.19 -1.33 0.08 0.00 -0.00 0.00 0.00 35.03 33.97 1xr2 n LYS 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xr2 n ALA 99 N 0.71 -1.55 -1.24 0.58 0.00 -1.01 -4.88 120.51 113.13 1xr2 n ALA 99 Ca 0.09 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 1xr2 n ALA 99 Cb 0.42 -1.86 0.09 0.00 0.00 0.00 0.00 19.45 18.10 1xr2 n ALA 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xr2 s LEU 100 N -0.47 3.05 0.44 0.00 1.43 0.46 -4.98 118.68 118.61 1xr2 s LEU 100 Ca 0.65 1.87 -0.25 0.00 -1.03 0.00 0.00 54.13 55.37 1xr2 s LEU 100 Cb -0.33 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.28 1xr2 s LEU 100 CO 0.59 -2.09 1.29 -0.70 0.23 0.00 0.00 176.35 175.67 1xr2 s GLU 101 N -4.82 3.81 -0.14 1.70 2.12 -1.26 -4.83 118.70 115.27 1xr2 s GLU 101 Ca 0.62 2.10 -0.02 0.00 0.36 0.00 0.00 54.97 58.03 1xr2 s GLU 101 Cb -0.18 -2.62 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 1xr2 s GLU 101 CO 0.55 -0.61 -0.08 1.41 -0.54 0.00 0.00 175.26 175.99 1xr2 s MET 102 N -2.42 3.55 0.21 4.30 -2.45 -1.26 -0.77 119.30 120.46 1xr2 s MET 102 Ca 0.60 -0.59 -0.06 0.00 -1.25 0.00 0.00 55.69 54.39 1xr2 s MET 102 Cb -0.37 -2.79 -0.02 0.00 1.25 0.00 0.00 34.83 32.90 1xr2 s MET 102 CO 0.46 0.23 0.26 -0.08 1.05 0.00 0.00 175.02 176.95 1xr2 s THR 103 N 0.35 0.01 0.27 10.11 -1.32 -0.84 -4.99 115.64 119.23 1xr2 s THR 103 Ca -0.07 -1.72 -0.29 0.00 -1.21 0.00 0.00 61.69 58.39 1xr2 s THR 103 Cb -0.15 -2.30 -0.09 0.00 -1.51 0.00 0.00 72.50 68.45 1xr2 s THR 103 CO 0.04 -0.06 1.26 -0.54 -2.21 0.00 0.00 174.62 173.11 1xr2 s LYS 104 N -4.08 4.43 -0.74 7.08 -0.14 -1.26 -1.05 119.74 123.98 1xr2 s LYS 104 Ca 0.30 2.06 -0.25 0.00 -1.36 0.00 0.00 55.97 56.72 1xr2 s LYS 104 Cb 0.04 -3.15 0.05 0.00 -1.68 0.00 0.00 37.83 33.09 1xr2 s LYS 104 CO 0.09 -0.12 1.18 0.12 -0.76 0.00 0.00 175.35 175.85 1xr2 s PHE 105 N -0.63 2.46 0.00 3.18 5.36 0.52 -4.79 117.98 124.08 1xr2 s PHE 105 Ca 0.51 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 1xr2 s PHE 105 Cb -0.37 -4.51 0.00 0.00 -0.34 0.00 0.00 43.02 37.81 1xr2 s PHE 105 CO 0.44 -1.90 0.00 1.19 -1.46 0.00 0.00 175.22 173.49 1xr2 n PHE 106 N 8.67 0.00 -1.13 10.12 3.72 -1.26 -2.18 117.46 135.40 1xr2 n PHE 106 Ca 0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.19 1xr2 n PHE 106 Cb 0.48 0.05 0.15 0.00 -0.94 0.00 0.00 39.48 39.22 1xr2 n PHE 106 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1xr2 n ASN 107 N 0.02 4.33 -4.92 4.37 6.94 -1.26 -4.97 115.26 119.77 1xr2 n ASN 107 Ca 0.00 -3.55 -0.21 0.00 -0.02 0.00 0.00 54.58 50.80 1xr2 n ASN 107 Cb 0.00 -0.85 0.05 0.00 -2.36 0.00 0.00 39.78 36.62 1xr2 n ASN 107 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1xr2 n THR 108 N -1.01 0.00 0.97 5.53 -2.24 -0.92 -4.91 114.28 111.69 1xr2 n THR 108 Ca 0.57 -2.00 0.12 0.00 -2.27 0.00 0.00 64.05 60.47 1xr2 n THR 108 Cb 1.46 -0.39 0.57 0.00 -2.10 0.00 0.00 70.33 69.87 1xr2 n THR 108 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xr2 n ASN 109 N -2.20 0.00 -4.82 3.42 6.94 -1.26 -4.56 115.26 112.77 1xr2 n ASN 109 Ca 0.12 0.35 -0.38 0.00 -0.02 0.00 0.00 54.58 54.64 1xr2 n ASN 109 Cb 0.61 -0.44 -0.06 0.00 -2.36 0.00 0.00 39.78 37.52 1xr2 n ASN 109 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1xr2 s TYR 110 N -2.89 3.71 -0.13 -2.53 6.14 -1.26 -4.59 117.35 115.81 1xr2 s TYR 110 Ca 0.15 0.98 -0.00 0.00 0.64 0.00 0.00 57.07 58.85 1xr2 s TYR 110 Cb 0.17 -2.31 -0.02 0.00 0.42 0.00 0.00 41.96 40.22 1xr2 s TYR 110 CO 0.45 0.60 -0.13 -1.01 0.64 0.00 0.00 175.55 176.10 1xr2 s HIS 111 N -0.91 2.82 0.55 4.97 3.76 0.25 -0.35 115.29 126.38 1xr2 s HIS 111 Ca 0.24 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.59 1xr2 s HIS 111 Cb -0.17 -1.84 0.04 0.00 1.11 0.00 0.00 32.58 31.73 1xr2 s HIS 111 CO 0.13 -0.18 0.34 1.52 -0.85 0.00 0.00 174.74 175.71 1xr2 s TYR 112 N 0.29 1.54 -0.19 1.40 1.13 -0.22 -4.65 117.35 116.66 1xr2 s TYR 112 Ca -0.09 -0.90 -0.05 0.00 -1.41 0.00 0.00 57.07 54.62 1xr2 s TYR 112 Cb -0.16 -1.84 -0.03 0.00 -1.10 0.00 0.00 41.96 38.84 1xr2 s TYR 112 CO 0.05 -0.41 -0.01 -0.51 -2.51 0.00 0.00 175.55 172.17 1xr2 s LEU 113 N -4.24 3.28 -0.23 -3.49 1.43 -1.26 -1.99 118.68 112.17 1xr2 s LEU 113 Ca 0.27 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 1xr2 s LEU 113 Cb -0.02 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1xr2 s LEU 113 CO 0.17 0.09 1.42 -0.69 0.23 0.00 0.00 176.35 177.58 1xr2 s VAL 114 N 0.81 3.98 0.36 -1.59 1.01 0.05 -4.43 120.40 120.61 1xr2 s VAL 114 Ca 0.00 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.84 1xr2 s VAL 114 Cb -0.14 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 1xr2 s VAL 114 CO 0.02 -0.33 1.20 -2.84 0.00 0.00 0.00 175.10 173.16 1xr2 s PRO 115 N 4.21 4.23 -0.26 2.72 0.02 -1.26 -4.32 135.00 140.34 1xr2 s PRO 115 Ca 0.62 1.96 -0.06 0.00 0.02 0.00 0.00 61.00 63.54 1xr2 s PRO 115 Cb -0.21 -2.88 -0.01 0.00 0.02 0.00 0.00 34.50 31.42 1xr2 s PRO 115 CO 0.24 -0.20 0.04 -1.21 -0.33 0.00 0.00 177.00 175.53 1xr2 s GLU 116 N -2.01 3.34 -0.75 5.54 2.02 -1.26 -1.22 118.70 124.37 1xr2 s GLU 116 Ca 0.53 -0.68 -0.18 0.00 0.02 0.00 0.00 54.97 54.66 1xr2 s GLU 116 Cb -0.34 -3.24 0.14 0.00 0.10 0.00 0.00 34.13 30.80 1xr2 s GLU 116 CO 0.44 -0.29 0.84 0.42 0.02 0.00 0.00 175.26 176.69 1xr2 s ILE 117 N 1.52 4.98 -0.20 -1.63 -1.09 -0.35 -4.59 121.20 119.85 1xr2 s ILE 117 Ca 0.05 -1.51 0.18 0.00 -2.23 0.00 0.00 60.65 57.13 1xr2 s ILE 117 Cb -0.16 -4.57 0.04 0.00 -1.58 0.00 0.00 42.46 36.19 1xr2 s ILE 117 CO 0.01 -1.22 1.24 -0.33 -1.23 0.00 0.00 174.94 173.41 1xr2 h GLU 118 N 8.75 0.00 -6.04 2.79 5.08 -1.95 -3.43 114.58 119.78 1xr2 h GLU 118 Ca -0.07 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.75 1xr2 h GLU 118 Cb 1.06 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.11 1xr2 h GLU 118 CO 1.02 0.29 -0.81 0.95 -1.00 0.00 0.00 179.01 179.46 1xr2 s THR 119 N -3.05 1.74 -2.19 1.13 -4.23 -1.26 -5.03 115.64 102.75 1xr2 s THR 119 Ca 0.02 -1.70 0.25 0.00 -1.18 0.00 0.00 61.69 59.08 1xr2 s THR 119 Cb 0.08 -1.67 0.61 0.00 1.34 0.00 0.00 72.50 72.86 1xr2 s THR 119 CO 0.76 -0.18 1.80 -1.84 -0.54 0.00 0.00 174.62 174.62 1xr2 n GLU 120 N 0.75 1.35 -4.08 3.99 0.00 -1.26 -4.77 120.64 116.62 1xr2 n GLU 120 Ca -0.17 -0.52 -0.32 0.00 0.00 0.00 0.00 57.16 56.15 1xr2 n GLU 120 Cb 0.55 -1.41 -0.16 0.00 0.00 0.00 0.00 31.44 30.42 1xr2 n GLU 120 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1xr2 s GLU 121 N -1.95 2.60 0.37 3.44 -1.05 -1.26 -4.82 118.70 116.03 1xr2 s GLU 121 Ca 0.36 -0.94 -0.01 0.00 -0.15 0.00 0.00 54.97 54.23 1xr2 s GLU 121 Cb 0.18 -2.59 -0.03 0.00 -0.44 0.00 0.00 34.13 31.25 1xr2 s GLU 121 CO 0.29 -0.34 0.60 -0.06 0.95 0.00 0.00 175.26 176.71 1xr2 s PHE 122 N 1.27 3.51 -0.04 4.83 0.08 -1.26 -5.01 117.98 121.36 1xr2 s PHE 122 Ca 0.00 0.47 -0.29 0.00 0.12 0.00 0.00 56.93 57.23 1xr2 s PHE 122 Cb -0.15 -1.99 0.06 0.00 -0.57 0.00 0.00 43.02 40.37 1xr2 s PHE 122 CO -0.10 0.04 0.64 1.52 -0.10 0.00 0.00 175.22 177.21 1xr2 s TYR 123 N -2.40 -0.61 -0.70 0.36 1.13 -1.15 -4.91 117.35 109.07 1xr2 s TYR 123 Ca 0.42 1.02 -0.26 0.00 -1.41 0.00 0.00 57.07 56.84 1xr2 s TYR 123 Cb -0.10 0.38 -0.05 0.00 -1.10 0.00 0.00 41.96 41.09 1xr2 s TYR 123 CO 0.38 -0.59 2.05 -1.17 -2.51 0.00 0.00 175.55 173.71 1xr2 s LEU 124 N -1.24 3.22 -0.10 -3.49 0.20 -1.26 -2.87 118.68 113.13 1xr2 s LEU 124 Ca -0.11 0.12 -0.25 0.00 0.69 0.00 0.00 54.13 54.58 1xr2 s LEU 124 Cb -0.01 -2.54 -0.28 0.00 -0.43 0.00 0.00 46.19 42.93 1xr2 s LEU 124 CO 0.09 -2.78 0.81 0.25 -0.29 0.00 0.00 176.35 174.44 1xr2 h LEU 125 N 18.23 0.22 -7.30 -0.68 5.85 -1.38 -3.47 115.31 126.78 1xr2 h LEU 125 Ca -0.12 -0.97 -0.15 0.00 0.84 0.00 0.00 57.88 57.49 1xr2 h LEU 125 Cb 1.11 -0.07 -0.27 0.00 0.37 0.00 0.00 40.66 41.80 1xr2 h LEU 125 CO 1.18 1.20 -0.37 -0.70 -0.34 0.00 0.00 178.44 179.41 1xr2 s GLU 126 N -2.32 0.33 -1.09 1.25 2.12 -1.20 -5.03 118.70 112.75 1xr2 s GLU 126 Ca -0.17 0.64 -0.04 0.00 0.36 0.00 0.00 54.97 55.76 1xr2 s GLU 126 Cb -0.01 -0.02 0.30 0.00 0.26 0.00 0.00 34.13 34.66 1xr2 s GLU 126 CO 0.75 -0.14 1.51 -1.71 -0.54 0.00 0.00 175.26 175.13 1xr2 n ASN 127 N 4.02 6.35 -0.18 -1.70 2.85 -1.26 -4.30 115.26 121.03 1xr2 n ASN 127 Ca -0.22 -3.39 0.03 0.00 -0.11 0.00 0.00 54.58 50.89 1xr2 n ASN 127 Cb 0.55 -1.29 0.31 0.00 1.24 0.00 0.00 39.78 40.59 1xr2 n ASN 127 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1xr2 h LYS 128 N 5.46 0.84 -0.93 1.20 3.64 -1.96 -1.54 116.57 123.28 1xr2 h LYS 128 Ca 0.21 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1xr2 h LYS 128 Cb 0.62 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1xr2 h LYS 128 CO 1.35 0.56 0.60 -1.35 -2.27 0.00 0.00 179.45 178.34 1xr2 h PRO 129 N 0.87 1.22 -0.13 1.90 0.11 -1.96 -0.57 132.00 133.43 1xr2 h PRO 129 Ca 0.28 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.26 1xr2 h PRO 129 Cb 0.05 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 30.89 1xr2 h PRO 129 CO -0.08 0.82 -0.12 1.25 -0.21 0.00 0.00 178.00 179.66 1xr2 h LEU 130 N 1.26 0.34 -0.53 2.35 5.85 -1.69 -1.24 115.31 121.65 1xr2 h LEU 130 Ca 0.34 -0.47 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1xr2 h LEU 130 Cb -0.13 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 1xr2 h LEU 130 CO -0.07 0.74 0.14 -0.33 -0.34 0.00 0.00 178.44 178.58 1xr2 h GLU 131 N -0.05 0.28 -0.14 1.25 5.08 -1.00 0.11 114.58 120.11 1xr2 h GLU 131 Ca 0.02 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1xr2 h GLU 131 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xr2 h GLU 131 CO 0.03 0.19 -0.51 0.22 -1.00 0.00 0.00 179.01 177.93 1xr2 h ASP 132 N 0.29 0.41 -0.18 1.42 3.58 -1.10 -1.19 116.42 119.66 1xr2 h ASP 132 Ca 0.27 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1xr2 h ASP 132 Cb 0.34 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1xr2 h ASP 132 CO -0.32 0.86 0.04 0.22 -2.88 0.00 0.00 179.24 177.16 1xr2 h TYR 133 N 0.30 0.30 0.00 0.28 3.20 -0.13 -2.74 116.97 118.18 1xr2 h TYR 133 Ca 0.01 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 1xr2 h TYR 133 Cb 1.01 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1xr2 h TYR 133 CO 0.03 0.43 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.59 1xr2 h LEU 134 N 0.09 0.00 -0.17 2.82 3.38 -0.76 -1.99 115.31 118.67 1xr2 h LEU 134 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xr2 h LEU 134 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xr2 h LEU 134 CO 0.00 0.32 0.09 0.15 0.09 0.00 0.00 178.44 179.09 1xr2 h PHE 135 N 0.00 0.24 0.00 1.13 3.04 -0.94 -1.98 116.94 118.44 1xr2 h PHE 135 Ca -0.00 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 1xr2 h PHE 135 Cb 0.60 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1xr2 h PHE 135 CO 0.00 0.26 -0.53 0.74 -2.02 0.00 0.00 178.31 176.75 1xr2 h PHE 136 N 0.16 0.00 -0.55 0.41 -1.00 -1.35 -3.04 116.94 111.57 1xr2 h PHE 136 Ca 0.06 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 1xr2 h PHE 136 Cb 0.10 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.64 1xr2 h PHE 136 CO -0.03 0.53 0.28 0.87 -1.61 0.00 0.00 178.31 178.35 1xr2 h LYS 137 N 0.00 0.78 0.00 1.51 1.79 -1.09 0.79 116.57 120.34 1xr2 h LYS 137 Ca -0.01 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1xr2 h LYS 137 Cb 1.05 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1xr2 h LYS 137 CO 0.07 0.62 0.00 -1.13 -1.08 0.00 0.00 179.45 177.93 1xr2 n SER 138 N -4.59 0.00 -0.68 0.86 3.41 -0.77 0.15 113.62 112.00 1xr2 n SER 138 Ca 0.03 0.28 0.06 0.00 -0.26 0.00 0.00 58.87 58.98 1xr2 n SER 138 Cb 0.11 -0.35 0.14 0.00 -0.26 0.00 0.00 64.21 63.85 1xr2 n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xr2 n LYS 139 N -1.35 2.30 -1.40 4.33 4.01 -0.22 -4.96 118.16 120.87 1xr2 n LYS 139 Ca 0.03 -1.91 -0.03 0.00 -0.51 0.00 0.00 58.31 55.89 1xr2 n LYS 139 Cb 0.07 -1.30 -0.01 0.00 -0.51 0.00 0.00 35.03 33.28 1xr2 n LYS 139 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xr2 n GLY 140 N 0.69 0.49 3.12 0.72 0.00 0.12 -5.04 105.19 105.30 1xr2 n GLY 140 Ca 0.12 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1xr2 n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xr2 s ILE 141 N -2.12 2.03 -0.21 -0.61 1.01 0.10 -4.99 121.20 116.41 1xr2 s ILE 141 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.47 1xr2 s ILE 141 Cb 0.00 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1xr2 s ILE 141 CO 0.00 0.54 0.85 -1.61 0.00 0.00 0.00 174.94 174.72 1xr2 s GLU 142 N 1.23 4.24 0.25 2.79 0.41 -1.26 -3.11 118.70 123.24 1xr2 s GLU 142 Ca 0.03 1.01 0.11 0.00 -0.41 0.00 0.00 54.97 55.71 1xr2 s GLU 142 Cb -0.13 -3.62 -0.05 0.00 -1.78 0.00 0.00 34.13 28.55 1xr2 s GLU 142 CO -0.11 -0.45 -0.19 0.95 -0.49 0.00 0.00 175.26 174.96 1xr2 s THR 143 N 2.60 2.25 -0.41 3.63 -4.23 -1.26 -4.46 115.64 113.77 1xr2 s THR 143 Ca 0.37 -2.30 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 1xr2 s THR 143 Cb -0.16 -2.19 0.09 0.00 1.34 0.00 0.00 72.50 71.58 1xr2 s THR 143 CO 0.09 -0.42 0.22 0.00 -0.54 0.00 0.00 174.62 173.97 1xr2 s ALA 144 N -2.52 3.19 0.12 3.99 0.00 0.12 -4.76 121.76 121.90 1xr2 s ALA 144 Ca 0.26 -2.31 -0.35 0.00 0.00 0.00 0.00 51.96 49.56 1xr2 s ALA 144 Cb -0.04 -2.49 -0.16 0.00 0.00 0.00 0.00 23.12 20.42 1xr2 s ALA 144 CO 0.12 -1.70 1.31 -2.30 0.00 0.00 0.00 175.76 173.19 1xr2 n PRO 145 N 4.75 1.26 -3.52 0.00 -0.02 -1.25 -2.54 135.00 133.69 1xr2 n PRO 145 Ca -0.07 0.45 -0.38 0.00 -2.02 0.00 0.00 63.50 61.48 1xr2 n PRO 145 Cb 0.42 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 1xr2 n PRO 145 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1xr2 s TRP 146 N 0.31 3.26 0.04 6.00 -0.00 0.27 -0.24 118.94 128.58 1xr2 s TRP 146 Ca 0.80 0.27 -0.04 0.00 -0.00 0.00 0.00 56.10 57.13 1xr2 s TRP 146 Cb -0.89 -2.43 -0.02 0.00 -0.00 0.00 0.00 33.47 30.13 1xr2 s TRP 146 CO 0.48 -0.13 0.06 0.14 -0.00 0.00 0.00 176.95 177.49 1xr2 s VAL 147 N 1.70 0.15 -0.06 5.86 -7.23 0.35 -4.70 120.40 116.47 1xr2 s VAL 147 Ca 0.10 -1.21 -0.27 0.00 -1.81 0.00 0.00 61.98 58.79 1xr2 s VAL 147 Cb -0.15 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 1xr2 s VAL 147 CO 0.09 -0.67 0.86 -0.63 -0.31 0.00 0.00 175.10 174.44 1xr2 s ILE 148 N -2.76 4.93 0.82 -0.62 -1.09 -1.26 0.40 121.20 121.61 1xr2 s ILE 148 Ca -0.04 1.78 -0.11 0.00 -2.23 0.00 0.00 60.65 60.05 1xr2 s ILE 148 Cb -0.00 -4.19 0.09 0.00 -1.58 0.00 0.00 42.46 36.78 1xr2 s ILE 148 CO -0.05 0.16 1.13 -0.83 -1.23 0.00 0.00 174.94 174.12 1xr2 s GLY 149 N 0.96 1.81 0.41 6.18 0.00 0.45 -4.80 107.32 112.32 1xr2 s GLY 149 Ca 0.45 0.52 0.07 0.00 0.00 0.00 0.00 44.72 45.76 1xr2 s GLY 149 CO 0.21 0.91 2.03 -0.56 0.00 0.00 0.00 173.10 175.69 1xr2 h PRO 150 N -1.28 0.48 0.03 2.90 0.13 -1.96 -1.63 132.00 130.68 1xr2 h PRO 150 Ca -0.44 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xr2 h PRO 150 Cb 1.26 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xr2 h PRO 150 CO 0.47 0.36 -0.01 0.35 -0.23 0.00 0.00 178.00 178.94 1xr2 h PHE 151 N 0.49 -0.04 -0.60 1.56 3.04 -1.94 -2.86 116.94 116.59 1xr2 h PHE 151 Ca 0.13 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 1xr2 h PHE 151 Cb 0.02 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.52 1xr2 h PHE 151 CO 0.00 0.43 0.26 1.15 -2.02 0.00 0.00 178.31 178.13 1xr2 h THR 152 N -0.52 1.21 -0.07 4.41 2.02 -1.84 -1.51 112.91 116.61 1xr2 h THR 152 Ca -0.00 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.58 1xr2 h THR 152 Cb 0.48 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1xr2 h THR 152 CO 0.01 0.25 -0.05 0.15 0.37 0.00 0.00 175.52 176.25 1xr2 h PHE 153 N 0.85 -0.11 -0.69 3.16 3.57 -1.28 -1.11 116.94 121.32 1xr2 h PHE 153 Ca 0.21 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1xr2 h PHE 153 Cb 0.13 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1xr2 h PHE 153 CO 0.01 -0.08 0.15 -0.07 -2.23 0.00 0.00 178.31 176.09 1xr2 h LEU 154 N -0.05 1.06 -2.22 0.59 4.07 -1.29 -2.58 115.31 114.90 1xr2 h LEU 154 Ca 0.05 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 1xr2 h LEU 154 Cb 0.12 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.58 1xr2 h LEU 154 CO -0.10 1.03 -0.05 0.22 -1.08 0.00 0.00 178.44 178.45 1xr2 h TYR 155 N 1.06 0.00 -0.02 1.13 5.03 -0.81 -1.19 116.97 122.16 1xr2 h TYR 155 Ca 0.22 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.53 1xr2 h TYR 155 Cb 0.39 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.67 1xr2 h TYR 155 CO 0.03 0.05 -0.13 1.28 -1.32 0.00 0.00 178.16 178.07 1xr2 n LEU 156 N -3.83 2.11 -4.94 2.82 4.77 -0.46 -4.70 117.00 112.77 1xr2 n LEU 156 Ca -0.03 -0.71 -0.19 0.00 -0.03 0.00 0.00 56.01 55.05 1xr2 n LEU 156 Cb 0.14 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1xr2 n LEU 156 CO 0.29 0.36 0.04 -0.44 -1.33 0.00 0.00 177.39 176.31 1xr2 s SER 157 N -2.16 5.50 0.17 -1.43 0.01 -0.45 -4.38 113.70 110.96 1xr2 s SER 157 Ca 0.28 -0.46 0.08 0.00 1.31 0.00 0.00 55.95 57.17 1xr2 s SER 157 Cb 0.20 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 1xr2 s SER 157 CO 0.39 -0.55 -0.17 -0.54 0.41 0.00 0.00 173.24 172.78 1xr2 s LYS 158 N -4.17 1.25 -0.04 12.44 1.02 -0.36 -1.95 119.74 127.93 1xr2 s LYS 158 Ca 0.47 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.03 1xr2 s LYS 158 Cb -0.07 -1.21 0.03 0.00 -0.52 0.00 0.00 37.83 36.06 1xr2 s LYS 158 CO 0.30 0.23 0.04 0.50 -0.92 0.00 0.00 175.35 175.50 1xr2 s ARG 159 N -2.98 0.07 -1.49 1.68 3.52 0.13 -1.21 118.95 118.67 1xr2 s ARG 159 Ca 0.16 0.25 -0.09 0.00 -0.13 0.00 0.00 55.73 55.93 1xr2 s ARG 159 Cb -0.04 -0.49 0.06 0.00 -1.56 0.00 0.00 34.95 32.92 1xr2 s ARG 159 CO 0.06 -0.26 0.78 0.09 -0.81 0.00 0.00 175.30 175.17 1xr2 n ASN 160 N 4.82 -2.88 0.00 -2.12 3.02 -1.26 -1.43 115.26 115.41 1xr2 n ASN 160 Ca -0.13 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1xr2 n ASN 160 Cb 0.50 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 1xr2 n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xr2 n GLY 161 N -1.67 2.03 3.49 7.41 0.00 -1.26 -5.02 105.19 110.17 1xr2 n GLY 161 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1xr2 n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xr2 s GLU 162 N -0.02 1.77 0.49 1.61 1.03 -0.51 -5.07 118.70 117.99 1xr2 s GLU 162 Ca 0.00 -1.39 -0.22 0.00 0.03 0.00 0.00 54.97 53.39 1xr2 s GLU 162 Cb 0.00 -2.00 -0.07 0.00 -0.80 0.00 0.00 34.13 31.27 1xr2 s GLU 162 CO 0.00 0.42 1.18 -1.58 -1.33 0.00 0.00 175.26 173.95 1xr2 s TRP 163 N -1.65 2.77 -1.10 4.83 0.52 -1.26 0.20 118.94 123.25 1xr2 s TRP 163 Ca 0.22 1.52 -0.07 0.00 0.02 0.00 0.00 56.10 57.79 1xr2 s TRP 163 Cb -0.08 -3.42 0.29 0.00 -1.15 0.00 0.00 33.47 29.11 1xr2 s TRP 163 CO 0.12 -1.70 1.23 -0.89 0.02 0.00 0.00 176.95 175.74 1xr2 n ILE 164 N -0.70 4.80 0.03 2.03 5.41 -0.82 -4.70 119.36 125.40 1xr2 n ILE 164 Ca 0.08 -5.57 0.00 0.00 1.00 0.00 0.00 62.75 58.27 1xr2 n ILE 164 Cb 0.48 -2.41 -0.01 0.00 -0.71 0.00 0.00 39.64 37.00 1xr2 n ILE 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1xr2 n ARG 165 N 2.19 3.62 -2.85 0.38 1.74 -1.26 -3.89 116.66 116.60 1xr2 n ARG 165 Ca 0.25 -0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.93 1xr2 n ARG 165 Cb 0.37 -0.77 -0.06 0.00 -1.02 0.00 0.00 32.46 30.98 1xr2 n ARG 165 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xr2 s ARG 166 N -1.54 4.67 0.24 5.56 0.52 -1.26 -4.95 118.95 122.19 1xr2 s ARG 166 Ca 0.00 1.32 -0.05 0.00 -0.52 0.00 0.00 55.73 56.48 1xr2 s ARG 166 Cb 0.01 -3.13 0.44 0.00 0.52 0.00 0.00 34.95 32.79 1xr2 s ARG 166 CO 0.04 0.47 1.73 -1.35 0.02 0.00 0.00 175.30 176.21 1xr2 h PRO 167 N 3.91 0.42 0.00 3.54 0.11 -1.95 0.17 132.00 138.19 1xr2 h PRO 167 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1xr2 h PRO 167 Cb 1.20 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xr2 h PRO 167 CO 0.67 0.28 -0.10 -2.95 -0.21 0.00 0.00 178.00 175.68 1xr2 h ASN 168 N 0.43 0.00 0.48 -2.05 -1.07 -1.97 0.00 115.58 111.40 1xr2 h ASN 168 Ca 0.41 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.54 1xr2 h ASN 168 Cb 0.61 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 1xr2 h ASN 168 CO -0.40 0.10 -1.02 1.56 0.07 0.00 0.00 177.43 177.74 1xr2 h GLN 169 N 0.00 0.32 0.16 4.14 4.20 -1.08 -3.37 115.11 119.48 1xr2 h GLN 169 Ca -0.00 -0.40 -0.35 0.00 0.06 0.00 0.00 58.65 57.96 1xr2 h GLN 169 Cb 0.38 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1xr2 h GLN 169 CO 0.01 1.11 -1.77 0.52 -0.67 0.00 0.00 178.83 178.04 1xr2 h MET 170 N 0.16 0.34 -0.37 1.46 2.86 -0.69 -3.41 114.93 115.27 1xr2 h MET 170 Ca -0.09 -0.58 0.03 0.00 -2.06 0.00 0.00 59.70 57.01 1xr2 h MET 170 Cb 1.68 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 33.51 1xr2 h MET 170 CO 0.17 1.24 -0.22 -1.91 1.06 0.00 0.00 176.91 177.25 1xr2 n GLU 171 N -3.53 -0.16 0.04 1.72 2.13 -0.07 -0.37 120.64 120.39 1xr2 n GLU 171 Ca -0.25 0.98 -0.12 0.00 0.66 0.00 0.00 57.16 58.43 1xr2 n GLU 171 Cb 1.07 -1.45 -0.08 0.00 0.27 0.00 0.00 31.44 31.25 1xr2 n GLU 171 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xr2 h LYS 172 N 0.00 -0.03 -0.94 5.31 1.57 -1.82 -2.65 116.57 118.01 1xr2 h LYS 172 Ca 0.06 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.02 1xr2 h LYS 172 Cb 0.15 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.39 1xr2 h LYS 172 CO -0.35 0.11 0.60 -0.07 -0.57 0.00 0.00 179.45 179.17 1xr2 h LEU 173 N -0.16 0.65 -0.73 2.94 3.38 -1.66 -2.21 115.31 117.51 1xr2 h LEU 173 Ca -0.00 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1xr2 h LEU 173 Cb 0.15 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1xr2 h LEU 173 CO 0.01 0.28 0.46 -0.07 0.09 0.00 0.00 178.44 179.21 1xr2 h LEU 174 N 0.66 0.77 -0.10 1.67 3.38 -0.34 -1.70 115.31 119.65 1xr2 h LEU 174 Ca 0.50 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.51 1xr2 h LEU 174 Cb 0.90 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1xr2 h LEU 174 CO -0.26 0.53 -0.20 -0.33 0.09 0.00 0.00 178.44 178.28 1xr2 h GLU 175 N 0.91 -0.26 -0.41 1.13 5.08 -1.33 -0.17 114.58 119.52 1xr2 h GLU 175 Ca 0.29 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1xr2 h GLU 175 Cb -0.01 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1xr2 h GLU 175 CO -0.10 -0.17 0.15 1.03 -1.00 0.00 0.00 179.01 178.92 1xr2 h SER 176 N -0.27 0.58 -0.70 1.42 0.87 -1.59 -3.01 113.55 110.85 1xr2 h SER 176 Ca 0.09 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1xr2 h SER 176 Cb 0.40 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 1xr2 h SER 176 CO -0.26 0.61 0.46 0.25 -0.53 0.00 0.00 176.83 177.36 1xr2 h LEU 177 N 0.52 0.80 -1.05 2.23 5.85 -0.93 -2.67 115.31 120.05 1xr2 h LEU 177 Ca 0.14 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1xr2 h LEU 177 Cb 0.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1xr2 h LEU 177 CO -0.01 0.58 -0.04 -0.37 -0.34 0.00 0.00 178.44 178.26 1xr2 h VAL 178 N 0.94 1.23 -1.00 1.05 -1.51 -1.00 -2.56 116.25 113.40 1xr2 h VAL 178 Ca 0.26 -0.95 0.12 0.00 -1.23 0.00 0.00 66.70 64.90 1xr2 h VAL 178 Cb -0.10 0.97 -0.08 0.00 -2.13 0.00 0.00 31.29 29.95 1xr2 h VAL 178 CO -0.06 0.32 0.63 0.28 -1.23 0.00 0.00 177.57 177.52 1xr2 h SER 179 N 0.59 0.93 -0.27 4.19 0.02 -1.34 0.53 113.55 118.20 1xr2 h SER 179 Ca 0.12 0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.94 1xr2 h SER 179 Cb 0.43 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1xr2 h SER 179 CO 0.02 0.50 -0.49 0.58 -1.14 0.00 0.00 176.83 176.30 1xr2 h VAL 180 N 1.00 1.28 -0.75 2.27 2.07 -1.43 -1.48 116.25 119.20 1xr2 h VAL 180 Ca 0.49 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 1xr2 h VAL 180 Cb 0.47 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1xr2 h VAL 180 CO -0.25 0.55 0.35 1.88 0.02 0.00 0.00 177.57 180.12 1xr2 h TYR 181 N 0.67 1.09 -0.85 1.57 0.05 -0.75 -0.98 116.97 117.77 1xr2 h TYR 181 Ca 0.03 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 1xr2 h TYR 181 Cb 1.09 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 38.45 1xr2 h TYR 181 CO 0.07 0.80 0.51 -0.22 -1.05 0.00 0.00 178.16 178.27 1xr2 h LYS 182 N 1.06 1.16 -0.33 4.88 3.64 0.18 -0.20 116.57 126.96 1xr2 h LYS 182 Ca 0.26 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1xr2 h LYS 182 Cb 0.13 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1xr2 h LYS 182 CO -0.03 0.81 0.10 0.93 -2.27 0.00 0.00 179.45 178.99 1xr2 h GLU 183 N 1.17 0.51 -0.09 1.90 5.08 -0.52 -0.16 114.58 122.48 1xr2 h GLU 183 Ca 0.31 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1xr2 h GLU 183 Cb -0.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1xr2 h GLU 183 CO -0.06 0.55 0.05 0.28 -1.00 0.00 0.00 179.01 178.83 1xr2 h VAL 184 N 0.38 1.01 -0.78 3.13 2.07 -0.84 -2.06 116.25 119.16 1xr2 h VAL 184 Ca 0.11 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1xr2 h VAL 184 Cb 0.25 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1xr2 h VAL 184 CO -0.00 0.02 0.39 -0.26 0.02 0.00 0.00 177.57 177.74 1xr2 h PHE 185 N 0.11 1.09 -0.53 1.57 0.05 -0.93 -1.77 116.94 116.53 1xr2 h PHE 185 Ca 0.03 -0.04 -0.03 0.00 3.82 0.00 0.00 57.97 61.75 1xr2 h PHE 185 Cb -0.01 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 37.58 1xr2 h PHE 185 CO -0.08 0.78 0.20 0.93 -0.18 0.00 0.00 178.31 179.96 1xr2 h GLU 186 N 1.10 0.80 -0.43 1.51 5.08 -0.75 -1.79 114.58 120.11 1xr2 h GLU 186 Ca 0.27 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1xr2 h GLU 186 Cb 0.08 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1xr2 h GLU 186 CO -0.04 0.71 -0.12 1.57 -1.00 0.00 0.00 179.01 180.14 1xr2 h LYS 187 N 0.72 0.77 -0.12 2.33 -0.00 -1.10 -0.91 116.57 118.26 1xr2 h LYS 187 Ca 0.18 -0.26 -0.01 0.00 -0.00 0.00 0.00 60.65 60.56 1xr2 h LYS 187 Cb 0.22 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 32.38 1xr2 h LYS 187 CO -0.01 0.86 0.05 -0.07 -0.00 0.00 0.00 179.45 180.27 1xr2 h LEU 188 N 0.70 0.16 -0.70 7.07 3.38 -1.10 -2.47 115.31 122.35 1xr2 h LEU 188 Ca 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1xr2 h LEU 188 Cb 0.60 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1xr2 h LEU 188 CO 0.04 0.27 0.36 0.58 0.09 0.00 0.00 178.44 179.78 1xr2 h VAL 189 N 0.04 1.22 -0.43 1.22 2.07 -1.17 -1.46 116.25 117.74 1xr2 h VAL 189 Ca 0.04 -0.60 0.11 0.00 0.82 0.00 0.00 66.70 67.07 1xr2 h VAL 189 Cb 0.16 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1xr2 h VAL 189 CO -0.00 0.26 0.30 -0.33 0.02 0.00 0.00 177.57 177.82 1xr2 h GLU 190 N 0.97 0.08 -0.41 1.57 5.08 -1.02 -0.75 114.58 120.10 1xr2 h GLU 190 Ca 0.24 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1xr2 h GLU 190 Cb 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xr2 h GLU 190 CO -0.03 0.05 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 1xr2 n ASN 191 N -4.43 2.27 0.00 1.42 3.02 -0.64 -4.92 115.26 111.97 1xr2 n ASN 191 Ca 0.07 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1xr2 n ASN 191 Cb 0.45 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1xr2 n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xr2 n GLY 192 N 1.18 0.42 3.72 7.41 0.00 -0.29 -5.05 105.19 112.58 1xr2 n GLY 192 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1xr2 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr2 n LYS 194 N 3.94 1.69 -3.68 0.00 5.02 -1.26 -4.44 118.16 119.42 1xr2 n LYS 194 Ca 0.15 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 1xr2 n LYS 194 Cb 0.36 -1.24 -0.09 0.00 -0.02 0.00 0.00 35.03 34.04 1xr2 n LYS 194 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xr2 s GLU 195 N -2.57 0.66 -0.06 1.97 2.12 -1.26 -4.81 118.70 114.75 1xr2 s GLU 195 Ca 0.03 0.77 0.03 0.00 0.36 0.00 0.00 54.97 56.16 1xr2 s GLU 195 Cb 0.11 0.32 0.01 0.00 0.26 0.00 0.00 34.13 34.82 1xr2 s GLU 195 CO 0.61 -0.08 -0.15 0.42 -0.54 0.00 0.00 175.26 175.52 1xr2 s ILE 196 N 0.29 1.33 -0.41 -3.70 1.01 -0.19 -3.76 121.20 115.76 1xr2 s ILE 196 Ca -0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 1xr2 s ILE 196 Cb -0.04 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.27 1xr2 s ILE 196 CO 0.01 0.40 0.45 -0.76 0.00 0.00 0.00 174.94 175.04 1xr2 s LEU 197 N 0.44 4.76 -0.31 2.97 1.43 0.67 -1.45 118.68 127.18 1xr2 s LEU 197 Ca -0.12 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 1xr2 s LEU 197 Cb -0.15 -2.43 -0.00 0.00 0.03 0.00 0.00 46.19 43.64 1xr2 s LEU 197 CO 0.04 -0.57 0.14 -0.69 0.23 0.00 0.00 176.35 175.50 1xr2 s VAL 198 N 2.21 4.47 -0.33 -1.59 1.01 -0.27 -0.50 120.40 125.41 1xr2 s VAL 198 Ca 0.13 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1xr2 s VAL 198 Cb -0.17 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1xr2 s VAL 198 CO 0.14 0.05 0.66 0.20 0.00 0.00 0.00 175.10 176.14 1xr2 s ASN 199 N 1.59 6.48 -0.49 3.32 0.01 0.16 -0.50 114.94 125.51 1xr2 s ASN 199 Ca 0.04 0.31 0.08 0.00 -0.71 0.00 0.00 52.86 52.57 1xr2 s ASN 199 Cb -0.17 -2.34 0.36 0.00 0.41 0.00 0.00 41.25 39.51 1xr2 s ASN 199 CO 0.06 -0.56 0.92 -0.62 -1.51 0.00 0.00 177.10 175.38 1xr2 n GLU 200 N 6.03 2.57 0.33 -0.60 -0.58 -0.03 -0.41 120.64 127.94 1xr2 n GLU 200 Ca -0.00 -4.34 0.21 0.00 -0.42 0.00 0.00 57.16 52.61 1xr2 n GLU 200 Cb 0.49 -2.04 1.11 0.00 -0.57 0.00 0.00 31.44 30.42 1xr2 n GLU 200 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1xr2 h PRO 201 N 2.93 0.00 0.00 3.49 0.13 -1.88 -1.50 132.00 135.17 1xr2 h PRO 201 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1xr2 h PRO 201 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1xr2 h PRO 201 CO 0.72 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 1xr2 h ALA 202 N 2.00 1.00 0.00 -0.56 0.00 -1.91 -1.13 119.26 118.66 1xr2 h ALA 202 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xr2 h ALA 202 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xr2 h ALA 202 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 179.25 179.99 1xr2 h PHE 203 N 0.00 0.00 -0.07 0.00 -1.00 -1.67 -1.99 116.94 112.22 1xr2 h PHE 203 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xr2 h PHE 203 Cb 0.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1xr2 h PHE 203 CO 0.00 0.00 0.00 1.33 -1.61 0.00 0.00 178.31 178.03 1xr2 n VAL 204 N -2.81 0.07 -1.79 -0.55 0.24 -0.43 -1.52 118.33 111.53 1xr2 n VAL 204 Ca -0.01 -0.35 -0.30 0.00 -2.04 0.00 0.00 64.34 61.64 1xr2 n VAL 204 Cb 0.14 0.71 0.06 0.00 -1.47 0.00 0.00 33.84 33.27 1xr2 n VAL 204 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xr2 s ASP 206 N -4.23 5.09 0.40 0.00 -0.00 -1.26 -4.40 116.67 112.27 1xr2 s ASP 206 Ca 0.59 -0.57 -0.01 0.00 -0.00 0.00 0.00 52.55 52.55 1xr2 s ASP 206 Cb -0.12 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.92 40.21 1xr2 s ASP 206 CO 0.52 -2.77 0.63 -0.76 -0.00 0.00 0.00 175.17 172.79 1xr2 s LEU 207 N 10.24 3.87 0.32 1.23 1.43 -1.26 -5.06 118.68 129.45 1xr2 s LEU 207 Ca 0.71 0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 54.37 1xr2 s LEU 207 Cb -0.07 -3.50 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 1xr2 s LEU 207 CO 0.01 -0.40 0.59 -1.61 0.23 0.00 0.00 176.35 175.17 1xr2 s GLU 208 N -4.47 3.62 0.50 1.70 2.02 -1.26 -4.94 118.70 115.86 1xr2 s GLU 208 Ca 0.43 0.01 0.17 0.00 0.02 0.00 0.00 54.97 55.60 1xr2 s GLU 208 Cb -0.10 -2.61 1.22 0.00 0.10 0.00 0.00 34.13 32.75 1xr2 s GLU 208 CO 0.39 0.15 2.08 -0.22 0.02 0.00 0.00 175.26 177.69 1xr2 h LYS 209 N 1.41 0.11 0.00 1.61 1.63 -2.00 0.37 116.57 119.71 1xr2 h LYS 209 Ca -0.48 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.28 1xr2 h LYS 209 Cb 1.19 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1xr2 h LYS 209 CO 0.65 0.07 -0.16 0.00 -3.45 0.00 0.00 179.45 176.56 1xr2 h ALA 210 N 1.87 1.69 -0.19 5.00 0.00 -2.01 -2.10 119.26 123.52 1xr2 h ALA 210 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xr2 h ALA 210 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xr2 h ALA 210 CO -0.01 0.20 -0.04 0.45 0.00 0.00 0.00 179.25 179.85 1xr2 h HIS 211 N 0.00 0.41 -0.12 0.00 3.86 -1.29 -3.00 115.15 115.00 1xr2 h HIS 211 Ca -0.00 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1xr2 h HIS 211 Cb 0.29 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1xr2 h HIS 211 CO 0.00 0.61 0.01 -1.49 0.86 0.00 0.00 177.93 177.92 1xr2 h TRP 212 N 0.09 0.16 -0.56 2.45 4.06 -1.29 0.13 115.95 120.98 1xr2 h TRP 212 Ca 0.05 -0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.89 1xr2 h TRP 212 Cb 0.47 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 1xr2 h TRP 212 CO 0.05 0.17 -0.06 -0.44 -3.56 0.00 0.00 178.44 174.60 1xr2 h ASP 213 N 0.17 1.01 -0.40 -3.49 3.32 -1.36 -0.37 116.42 115.30 1xr2 h ASP 213 Ca 0.04 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 1xr2 h ASP 213 Cb 0.10 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1xr2 h ASP 213 CO 0.00 1.10 -0.02 0.25 -1.72 0.00 0.00 179.24 178.84 1xr2 h LEU 214 N 0.92 0.71 -1.19 1.55 5.85 -1.08 -2.70 115.31 119.37 1xr2 h LEU 214 Ca 0.15 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1xr2 h LEU 214 Cb 0.61 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1xr2 h LEU 214 CO 0.04 0.86 -0.04 0.40 -0.34 0.00 0.00 178.44 179.36 1xr2 h ILE 215 N 0.54 1.21 -0.51 4.05 2.04 -0.60 -2.16 117.51 122.07 1xr2 h ILE 215 Ca 0.11 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 65.02 1xr2 h ILE 215 Cb 0.51 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1xr2 h ILE 215 CO 0.03 0.29 -0.05 0.25 0.00 0.00 0.00 178.15 178.66 1xr2 h LEU 216 N 0.48 0.94 -0.85 1.44 5.85 -0.90 -2.31 115.31 119.97 1xr2 h LEU 216 Ca 0.10 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 1xr2 h LEU 216 Cb 0.38 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1xr2 h LEU 216 CO 0.02 1.05 -0.52 0.78 -0.34 0.00 0.00 178.44 179.42 1xr2 h ASN 217 N 0.81 0.16 0.18 1.25 2.35 -1.20 -1.91 115.58 117.21 1xr2 h ASN 217 Ca 0.14 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1xr2 h ASN 217 Cb 0.60 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1xr2 h ASN 217 CO 0.04 0.65 -0.09 0.58 -1.65 0.00 0.00 177.43 176.96 1xr2 h VAL 218 N 0.11 0.90 0.00 2.81 2.07 -1.19 -2.80 116.25 118.15 1xr2 h VAL 218 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1xr2 h VAL 218 Cb 0.96 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1xr2 h VAL 218 CO 0.08 0.08 0.00 1.88 0.02 0.00 0.00 177.57 179.63 1xr2 h TYR 219 N -0.41 0.00 -0.01 1.57 0.05 -1.38 -2.45 116.97 114.35 1xr2 h TYR 219 Ca -0.02 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.60 1xr2 h TYR 219 Cb 0.32 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 1xr2 h TYR 219 CO -0.02 0.00 -0.73 0.00 -1.05 0.00 0.00 178.16 176.36 1xr2 h ARG 220 N 0.00 0.09 0.00 4.88 2.47 -1.22 -2.00 114.38 118.60 1xr2 h ARG 220 Ca 0.00 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1xr2 h ARG 220 Cb 0.55 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1xr2 h ARG 220 CO 0.00 0.78 0.00 1.05 0.56 0.00 0.00 179.97 182.36 1xr2 h GLU 221 N 0.06 0.00 -0.37 0.04 -0.00 -1.18 -3.06 114.58 110.07 1xr2 h GLU 221 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1xr2 h GLU 221 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 1xr2 h GLU 221 CO 0.10 0.00 0.00 1.28 -0.00 0.00 0.00 179.01 180.39 1xr2 n LEU 222 N -2.91 3.50 0.29 3.06 4.77 -1.05 -4.72 117.00 119.94 1xr2 n LEU 222 Ca 0.03 -2.37 0.14 0.00 -0.03 0.00 0.00 56.01 53.78 1xr2 n LEU 222 Cb 0.43 -0.38 0.85 0.00 -2.33 0.00 0.00 43.42 41.99 1xr2 n LEU 222 CO 0.30 0.73 1.08 0.77 -1.33 0.00 0.00 177.39 178.95 1xr2 h SER 223 N 2.30 0.00 0.01 -1.43 4.64 -1.26 -2.60 113.55 115.21 1xr2 h SER 223 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xr2 h SER 223 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1xr2 h SER 223 CO 0.10 0.03 0.00 -1.84 -0.87 0.00 0.00 176.83 174.25 1xr2 n GLU 224 N -3.87 0.92 -4.03 4.77 0.00 -1.26 -4.82 120.64 112.35 1xr2 n GLU 224 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.82 1xr2 n GLU 224 Cb 0.12 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.00 1xr2 n GLU 224 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1xr2 s PHE 225 N -2.01 3.29 -1.29 -1.84 0.08 -0.98 -5.02 117.98 110.22 1xr2 s PHE 225 Ca 0.44 0.16 -0.16 0.00 0.12 0.00 0.00 56.93 57.49 1xr2 s PHE 225 Cb 0.20 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.96 1xr2 s PHE 225 CO 0.34 0.55 2.13 -0.35 -0.10 0.00 0.00 175.22 177.79 1xr2 n PRO 226 N 0.63 2.53 -3.68 0.24 -0.04 -1.26 -4.92 135.00 128.51 1xr2 n PRO 226 Ca -0.09 -2.45 -0.30 0.00 -0.04 0.00 0.00 63.50 60.61 1xr2 n PRO 226 Cb 0.52 -3.22 -0.04 0.00 -0.04 0.00 0.00 33.50 30.72 1xr2 n PRO 226 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xr2 s LEU 227 N 2.18 4.26 -0.21 1.53 1.02 -1.26 -1.02 118.68 125.19 1xr2 s LEU 227 Ca 0.50 0.53 -0.03 0.00 0.02 0.00 0.00 54.13 55.15 1xr2 s LEU 227 Cb 0.13 -3.27 0.07 0.00 0.02 0.00 0.00 46.19 43.14 1xr2 s LEU 227 CO -0.03 0.03 0.06 -0.89 0.02 0.00 0.00 176.35 175.54 1xr2 s THR 228 N -1.71 0.40 -0.05 5.49 2.01 -0.53 -3.69 115.64 117.56 1xr2 s THR 228 Ca 0.40 -0.57 -0.22 0.00 0.31 0.00 0.00 61.69 61.61 1xr2 s THR 228 Cb -0.12 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1xr2 s THR 228 CO 0.26 -0.30 0.64 -0.69 -0.69 0.00 0.00 174.62 173.84 1xr2 s VAL 229 N 1.90 5.02 -0.01 3.82 1.01 -0.97 -1.11 120.40 130.06 1xr2 s VAL 229 Ca 0.01 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.34 1xr2 s VAL 229 Cb -0.17 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1xr2 s VAL 229 CO -0.12 0.31 -0.05 -0.36 0.00 0.00 0.00 175.10 174.88 1xr2 s PHE 230 N 0.49 2.94 0.00 5.22 0.40 0.34 -1.04 117.98 126.33 1xr2 s PHE 230 Ca 0.34 0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.69 1xr2 s PHE 230 Cb -0.18 -1.64 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 1xr2 s PHE 230 CO 0.17 0.39 -0.05 0.95 0.70 0.00 0.00 175.22 177.37 1xr2 s THR 231 N -0.98 0.40 0.15 0.64 -4.23 -1.24 -0.85 115.64 109.54 1xr2 s THR 231 Ca 0.17 -0.36 -0.25 0.00 -1.18 0.00 0.00 61.69 60.06 1xr2 s THR 231 Cb -0.11 -0.37 0.06 0.00 1.34 0.00 0.00 72.50 73.42 1xr2 s THR 231 CO 0.07 0.02 0.94 -0.72 -0.54 0.00 0.00 174.62 174.39 1xr2 s TYR 232 N -0.35 -0.15 0.00 3.99 -0.85 -1.26 -3.03 117.35 115.70 1xr2 s TYR 232 Ca -0.00 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 1xr2 s TYR 232 Cb -0.03 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.95 1xr2 s TYR 232 CO -0.00 -0.84 0.00 0.66 -1.52 0.00 0.00 175.55 173.85 1xr2 n TYR 233 N -0.46 0.00 -4.01 -3.49 0.53 -1.26 -4.80 117.16 103.67 1xr2 n TYR 233 Ca -0.06 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 56.85 1xr2 n TYR 233 Cb 0.61 0.00 0.01 0.00 -1.03 0.00 0.00 39.34 38.92 1xr2 n TYR 233 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 1xr2 n ASP 234 N 0.00 -0.71 -4.80 7.72 4.64 -1.26 -4.93 116.55 117.21 1xr2 n ASP 234 Ca 0.00 -1.05 -0.35 0.00 -1.38 0.00 0.00 54.79 52.01 1xr2 n ASP 234 Cb 0.00 1.08 -0.07 0.00 -1.04 0.00 0.00 41.12 41.09 1xr2 n ASP 234 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1xr2 s SER 235 N -2.96 7.11 0.31 1.67 1.04 -1.26 -4.74 113.70 114.87 1xr2 s SER 235 Ca 0.21 1.77 -0.29 0.00 0.48 0.00 0.00 55.95 58.12 1xr2 s SER 235 Cb -0.00 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 1xr2 s SER 235 CO -0.01 -0.23 1.38 0.68 0.98 0.00 0.00 173.24 176.03 1xr2 s VAL 236 N -1.91 2.60 0.53 5.02 -7.23 -1.26 -4.46 120.40 113.69 1xr2 s VAL 236 Ca 0.57 0.57 0.22 0.00 -1.81 0.00 0.00 61.98 61.53 1xr2 s VAL 236 Cb -0.14 -3.36 0.30 0.00 0.56 0.00 0.00 36.38 33.74 1xr2 s VAL 236 CO 0.18 0.12 2.17 0.77 -0.31 0.00 0.00 175.10 178.04 1xr2 h SER 237 N 3.87 0.00 -2.45 4.85 4.64 -1.48 -3.36 113.55 119.61 1xr2 h SER 237 Ca -0.48 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.30 1xr2 h SER 237 Cb 1.23 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.94 1xr2 h SER 237 CO 0.69 0.03 -0.81 -0.62 -0.87 0.00 0.00 176.83 175.25 1xr2 s ASP 238 N -6.63 2.60 0.14 4.97 -1.08 -1.26 -4.90 116.67 110.52 1xr2 s ASP 238 Ca -0.05 -2.03 -0.25 0.00 -0.52 0.00 0.00 52.55 49.70 1xr2 s ASP 238 Cb 0.16 -0.19 -0.00 0.00 -1.46 0.00 0.00 42.92 41.43 1xr2 s ASP 238 CO 0.62 -0.30 1.62 0.22 0.52 0.00 0.00 175.17 177.84 1xr2 h TYR 239 N 7.06 -0.80 -0.39 -5.34 5.03 -2.00 -0.61 116.97 119.93 1xr2 h TYR 239 Ca 0.05 0.04 0.07 0.00 2.58 0.00 0.00 58.73 61.47 1xr2 h TYR 239 Cb 0.99 0.38 -0.06 0.00 1.55 0.00 0.00 36.73 39.59 1xr2 h TYR 239 CO 0.41 -0.37 0.04 0.93 -1.32 0.00 0.00 178.16 177.85 1xr2 h GLU 240 N -0.34 0.15 -0.21 1.82 4.39 -1.96 -1.10 114.58 117.33 1xr2 h GLU 240 Ca 0.11 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 1xr2 h GLU 240 Cb 0.51 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1xr2 h GLU 240 CO -0.37 0.10 -0.17 0.00 -1.16 0.00 0.00 179.01 177.40 1xr2 h ALA 241 N 1.32 1.32 -0.15 3.43 0.00 -1.91 -2.60 119.26 120.68 1xr2 h ALA 241 Ca 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1xr2 h ALA 241 Cb 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xr2 h ALA 241 CO -0.29 0.46 -0.07 0.00 0.00 0.00 0.00 179.25 179.35 1xr2 n VAL 243 N -4.65 0.58 0.78 0.00 0.24 -0.51 -2.29 118.33 112.48 1xr2 n VAL 243 Ca -0.06 0.04 0.08 0.00 -2.04 0.00 0.00 64.34 62.36 1xr2 n VAL 243 Cb 0.30 -0.79 0.23 0.00 -1.47 0.00 0.00 33.84 32.11 1xr2 n VAL 243 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xr2 n SER 244 N -1.85 2.17 -4.76 -1.34 3.41 -0.99 -4.76 113.62 105.51 1xr2 n SER 244 Ca 0.05 -1.93 -0.40 0.00 -0.26 0.00 0.00 58.87 56.32 1xr2 n SER 244 Cb 0.30 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 1xr2 n SER 244 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xr2 s LEU 245 N -1.16 4.57 -1.17 1.04 1.02 -0.97 -4.93 118.68 117.08 1xr2 s LEU 245 Ca 0.30 2.21 -0.08 0.00 0.02 0.00 0.00 54.13 56.58 1xr2 s LEU 245 Cb 0.16 -3.62 -0.07 0.00 0.02 0.00 0.00 46.19 42.68 1xr2 s LEU 245 CO 0.21 -0.10 2.40 -0.81 0.02 0.00 0.00 176.35 178.07 1xr2 n PRO 246 N 1.27 2.64 -4.30 1.29 -0.04 -1.26 -4.84 135.00 129.76 1xr2 n PRO 246 Ca -0.01 -1.77 -0.21 0.00 -0.04 0.00 0.00 63.50 61.46 1xr2 n PRO 246 Cb 0.45 -2.63 -0.13 0.00 -0.04 0.00 0.00 33.50 31.16 1xr2 n PRO 246 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xr2 s VAL 247 N 3.06 1.37 0.08 0.52 -7.23 -1.26 -4.64 120.40 112.31 1xr2 s VAL 247 Ca 0.51 -1.31 -0.09 0.00 -1.81 0.00 0.00 61.98 59.28 1xr2 s VAL 247 Cb 0.13 -1.26 -0.25 0.00 0.56 0.00 0.00 36.38 35.56 1xr2 s VAL 247 CO -0.04 -0.07 1.18 0.07 -0.31 0.00 0.00 175.10 175.93 1xr2 h LYS 248 N 4.42 0.49 -5.49 4.82 -0.00 -1.89 -3.45 116.57 115.48 1xr2 h LYS 248 Ca -0.42 -0.64 -0.64 0.00 -0.00 0.00 0.00 60.65 58.95 1xr2 h LYS 248 Cb 1.18 0.21 -0.32 0.00 -0.00 0.00 0.00 32.23 33.30 1xr2 h LYS 248 CO 0.41 1.26 -0.87 1.03 -0.00 0.00 0.00 179.45 181.29 1xr2 s ARG 249 N -3.03 2.47 -0.03 0.07 0.52 -1.24 -0.59 118.95 117.12 1xr2 s ARG 249 Ca -0.07 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.37 1xr2 s ARG 249 Cb 0.07 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.54 1xr2 s ARG 249 CO 0.90 0.25 -0.07 -1.17 0.02 0.00 0.00 175.30 175.23 1xr2 s LEU 250 N 0.13 1.65 0.12 2.53 2.96 -1.01 -2.30 118.68 122.76 1xr2 s LEU 250 Ca -0.10 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1xr2 s LEU 250 Cb -0.15 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 1xr2 s LEU 250 CO 0.05 0.02 0.01 -2.28 -1.32 0.00 0.00 176.35 172.83 1xr2 s HIS 251 N 0.43 2.94 0.00 5.38 5.65 -0.21 -1.96 115.29 127.53 1xr2 s HIS 251 Ca -0.06 -0.07 0.00 0.00 0.25 0.00 0.00 55.06 55.18 1xr2 s HIS 251 Cb -0.10 -1.48 -0.01 0.00 -1.18 0.00 0.00 32.58 29.81 1xr2 s HIS 251 CO 0.01 0.49 -0.02 -0.06 -0.65 0.00 0.00 174.74 174.51 1xr2 s PHE 252 N -1.47 0.16 -0.45 3.88 0.40 -1.16 -3.70 117.98 115.64 1xr2 s PHE 252 Ca 0.26 -0.13 -0.24 0.00 -0.60 0.00 0.00 56.93 56.22 1xr2 s PHE 252 Cb -0.11 -0.10 0.03 0.00 0.51 0.00 0.00 43.02 43.34 1xr2 s PHE 252 CO 0.19 -0.04 0.85 0.34 0.70 0.00 0.00 175.22 177.26 1xr2 s ASP 253 N -0.35 6.46 -0.03 1.36 3.68 -1.17 -0.94 116.67 125.67 1xr2 s ASP 253 Ca -0.03 0.01 0.20 0.00 2.13 0.00 0.00 52.55 54.86 1xr2 s ASP 253 Cb -0.03 -2.42 0.61 0.00 -1.45 0.00 0.00 42.92 39.64 1xr2 s ASP 253 CO -0.00 -0.98 1.51 0.49 0.13 0.00 0.00 175.17 176.32 1xr2 n PHE 254 N 6.94 1.02 -0.12 -5.34 3.72 -0.65 -4.59 117.46 118.44 1xr2 n PHE 254 Ca 0.04 -0.53 -0.21 0.00 -0.05 0.00 0.00 57.45 56.70 1xr2 n PHE 254 Cb 0.48 -0.07 -0.10 0.00 -0.94 0.00 0.00 39.48 38.86 1xr2 n PHE 254 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xr2 n VAL 255 N 1.31 1.32 1.73 -4.37 0.31 -1.26 -4.57 118.33 112.80 1xr2 n VAL 255 Ca 0.23 -0.42 0.15 0.00 -0.01 0.00 0.00 64.34 64.28 1xr2 n VAL 255 Cb 0.66 -1.55 0.85 0.00 -0.91 0.00 0.00 33.84 32.90 1xr2 n VAL 255 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1xr2 n SER 256 N -3.59 0.00 -3.72 4.52 3.41 -1.26 -4.87 113.62 108.10 1xr2 n SER 256 Ca -0.44 -0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 57.43 1xr2 n SER 256 Cb 0.89 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.70 1xr2 n SER 256 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xr2 s ASN 257 N -2.22 -0.30 -0.01 4.04 2.20 -1.26 -4.80 114.94 112.58 1xr2 s ASN 257 Ca 0.39 -0.45 0.11 0.00 -0.94 0.00 0.00 52.86 51.97 1xr2 s ASN 257 Cb 0.21 0.61 -0.16 0.00 -2.00 0.00 0.00 41.25 39.91 1xr2 s ASN 257 CO 0.39 -1.09 0.25 -0.62 -2.94 0.00 0.00 177.10 173.09 1xr2 n GLU 258 N -0.37 0.64 -0.18 3.55 1.02 -1.26 -4.67 120.64 119.36 1xr2 n GLU 258 Ca -0.10 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1xr2 n GLU 258 Cb 0.62 -1.23 0.25 0.00 -0.02 0.00 0.00 31.44 31.07 1xr2 n GLU 258 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1xr2 h GLU 259 N 0.00 0.92 -0.33 3.49 3.07 -1.96 -2.33 114.58 117.44 1xr2 h GLU 259 Ca 0.00 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1xr2 h GLU 259 Cb 0.46 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1xr2 h GLU 259 CO 0.00 0.65 0.20 -0.91 -1.40 0.00 0.00 179.01 177.54 1xr2 h ASN 260 N 0.94 0.40 -0.26 1.42 2.35 -1.88 -1.11 115.58 117.44 1xr2 h ASN 260 Ca 0.25 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1xr2 h ASN 260 Cb -0.04 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1xr2 h ASN 260 CO -0.05 0.34 0.10 0.25 -1.65 0.00 0.00 177.43 176.42 1xr2 h LEU 261 N 0.42 0.36 0.00 1.61 5.85 -1.81 -0.74 115.31 121.01 1xr2 h LEU 261 Ca 0.12 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1xr2 h LEU 261 Cb 0.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1xr2 h LEU 261 CO -0.02 0.43 -0.12 0.11 -0.34 0.00 0.00 178.44 178.50 1xr2 h LYS 262 N 0.26 -0.20 -0.64 1.25 6.56 -1.31 -0.34 116.57 122.16 1xr2 h LYS 262 Ca 0.09 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.77 1xr2 h LYS 262 Cb 0.18 0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 31.82 1xr2 h LYS 262 CO -0.01 -0.13 0.29 -0.91 -2.06 0.00 0.00 179.45 176.64 1xr2 h ASN 263 N -0.20 0.37 -0.22 0.86 -0.26 -1.05 -0.19 115.58 114.88 1xr2 h ASN 263 Ca 0.04 0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.78 1xr2 h ASN 263 Cb 0.26 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1xr2 h ASN 263 CO -0.12 0.22 -0.05 0.25 -1.06 0.00 0.00 177.43 176.67 1xr2 h LEU 264 N 0.52 0.54 -0.58 1.61 6.46 -0.70 -2.70 115.31 120.46 1xr2 h LEU 264 Ca 0.31 -0.12 -0.15 0.00 -0.12 0.00 0.00 57.88 57.80 1xr2 h LEU 264 Cb 0.33 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1xr2 h LEU 264 CO -0.26 0.64 -0.55 -0.33 -0.62 0.00 0.00 178.44 177.32 1xr2 h GLU 265 N 0.53 0.46 -1.47 1.25 5.08 0.11 -3.30 114.58 117.24 1xr2 h GLU 265 Ca 0.11 -0.29 -0.70 0.00 -1.00 0.00 0.00 59.36 57.48 1xr2 h GLU 265 Cb 0.42 0.03 -0.31 0.00 0.50 0.00 0.00 28.75 29.40 1xr2 h GLU 265 CO 0.02 0.89 0.64 1.63 -1.00 0.00 0.00 179.01 181.19 1xr2 n LYS 266 N -3.94 2.88 0.00 2.33 5.02 -0.20 -5.06 118.16 119.19 1xr2 n LYS 266 Ca -0.03 -3.60 0.00 0.00 -2.02 0.00 0.00 58.31 52.66 1xr2 n LYS 266 Cb 0.60 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1xr2 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xr2 n GLY 268 N -0.69 2.87 2.80 0.72 0.00 -1.24 -4.99 105.19 104.65 1xr2 n GLY 268 Ca 0.55 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.19 1xr2 n GLY 268 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xr2 s PHE 269 N 3.84 -0.13 0.15 1.61 2.19 -1.26 -4.64 117.98 119.74 1xr2 s PHE 269 Ca 0.00 0.51 -0.24 0.00 0.33 0.00 0.00 56.93 57.53 1xr2 s PHE 269 Cb 0.00 -0.31 -0.14 0.00 -1.31 0.00 0.00 43.02 41.25 1xr2 s PHE 269 CO 0.00 -0.27 0.48 -2.30 1.83 0.00 0.00 175.22 174.96 1xr2 n PRO 270 N 5.32 0.00 0.03 10.12 -0.02 -1.26 -4.86 135.00 144.33 1xr2 n PRO 270 Ca -0.04 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.56 1xr2 n PRO 270 Cb 0.50 -0.88 0.30 0.00 -0.02 0.00 0.00 33.50 33.40 1xr2 n PRO 270 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1xr2 n GLU 271 N 0.88 0.14 0.00 -0.52 0.00 -1.26 -3.63 120.64 116.24 1xr2 n GLU 271 Ca 0.15 0.05 0.14 0.00 0.00 0.00 0.00 57.16 57.50 1xr2 n GLU 271 Cb 0.19 -1.60 0.60 0.00 0.00 0.00 0.00 31.44 30.63 1xr2 n GLU 271 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1xr2 n ASP 272 N -1.81 0.12 -4.24 -1.84 5.75 -1.26 -4.87 116.55 108.41 1xr2 n ASP 272 Ca 0.05 0.14 -0.14 0.00 -0.01 0.00 0.00 54.79 54.83 1xr2 n ASP 272 Cb 0.38 -0.30 -0.10 0.00 -1.03 0.00 0.00 41.12 40.07 1xr2 n ASP 272 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1xr2 s LYS 273 N -2.85 1.03 -0.11 0.11 -2.85 -1.24 -4.87 119.74 108.96 1xr2 s LYS 273 Ca 0.18 -1.44 -0.05 0.00 -1.00 0.00 0.00 55.97 53.66 1xr2 s LYS 273 Cb 0.19 -0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 35.39 1xr2 s LYS 273 CO 0.53 0.05 0.08 -1.59 0.10 0.00 0.00 175.35 174.52 1xr2 s LYS 274 N -3.77 3.28 -0.10 1.78 0.00 0.24 -4.87 119.74 116.29 1xr2 s LYS 274 Ca 0.17 -0.26 -0.10 0.00 0.00 0.00 0.00 55.97 55.77 1xr2 s LYS 274 Cb 0.03 -3.03 -0.05 0.00 0.00 0.00 0.00 37.83 34.79 1xr2 s LYS 274 CO 0.00 0.72 0.24 -1.17 0.00 0.00 0.00 175.35 175.14 1xr2 s LEU 275 N -0.90 4.37 -0.24 2.77 2.96 -1.26 -2.42 118.68 123.97 1xr2 s LEU 275 Ca 0.14 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 1xr2 s LEU 275 Cb -0.12 -2.26 0.04 0.00 0.50 0.00 0.00 46.19 44.36 1xr2 s LEU 275 CO 0.03 0.31 -0.12 0.54 -1.32 0.00 0.00 176.35 175.79 1xr2 s VAL 276 N -0.65 2.28 -0.39 1.68 0.11 -0.83 -2.69 120.40 119.92 1xr2 s VAL 276 Ca 0.17 -1.33 -0.27 0.00 -2.93 0.00 0.00 61.98 57.62 1xr2 s VAL 276 Cb -0.13 -2.21 0.02 0.00 -1.53 0.00 0.00 36.38 32.53 1xr2 s VAL 276 CO 0.06 0.17 1.00 0.00 -3.33 0.00 0.00 175.10 172.99 1xr2 s ALA 277 N 1.20 3.36 -0.78 1.54 0.00 -0.03 -2.97 121.76 124.08 1xr2 s ALA 277 Ca -0.03 -0.41 -0.26 0.00 0.00 0.00 0.00 51.96 51.26 1xr2 s ALA 277 Cb -0.17 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 19.33 1xr2 s ALA 277 CO -0.07 -1.75 1.38 0.20 0.00 0.00 0.00 175.76 175.51 1xr2 s GLY 278 N 1.99 0.87 0.00 0.00 0.00 -0.12 -1.68 107.32 108.37 1xr2 s GLY 278 Ca 0.41 -1.45 0.03 0.00 0.00 0.00 0.00 44.72 43.70 1xr2 s GLY 278 CO 0.21 2.74 0.34 3.33 0.00 0.00 0.00 173.10 179.72 1xr2 n VAL 279 N 6.57 0.00 -3.81 1.40 0.24 -0.16 -1.63 118.33 120.94 1xr2 n VAL 279 Ca 0.10 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.34 61.57 1xr2 n VAL 279 Cb 0.50 1.03 -0.13 0.00 -1.47 0.00 0.00 33.84 33.76 1xr2 n VAL 279 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xr2 s ILE 280 N -0.74 3.66 0.27 1.34 -1.09 -1.15 -4.87 121.20 118.62 1xr2 s ILE 280 Ca 0.02 -0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 57.28 1xr2 s ILE 280 Cb 0.02 -2.92 -0.13 0.00 -1.58 0.00 0.00 42.46 37.85 1xr2 s ILE 280 CO 0.07 0.06 1.29 -3.20 -1.23 0.00 0.00 174.94 171.92 1xr2 n ASN 281 N 4.80 2.39 -0.29 3.58 2.85 -1.26 -0.14 115.26 127.19 1xr2 n ASN 281 Ca -0.15 1.17 0.05 0.00 -0.11 0.00 0.00 54.58 55.54 1xr2 n ASN 281 Cb 0.47 -1.40 0.01 0.00 1.24 0.00 0.00 39.78 40.10 1xr2 n ASN 281 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xr2 n GLY 282 N 1.61 -0.18 0.01 8.20 0.00 -1.26 -4.56 105.19 109.01 1xr2 n GLY 282 Ca 0.10 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1xr2 n GLY 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xr2 n ARG 283 N -0.05 0.76 -4.27 1.61 5.12 -1.26 -4.21 116.66 114.36 1xr2 n ARG 283 Ca 0.05 -0.11 -0.22 0.00 -1.93 0.00 0.00 57.85 55.64 1xr2 n ARG 283 Cb 0.24 -1.40 -0.12 0.00 -1.16 0.00 0.00 32.46 30.02 1xr2 n ARG 283 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1xr2 s GLN 284 N -3.06 1.09 -0.39 5.56 -1.52 -1.26 -4.95 119.66 115.13 1xr2 s GLN 284 Ca -0.02 -1.17 0.03 0.00 -1.95 0.00 0.00 55.36 52.26 1xr2 s GLN 284 Cb 0.12 -1.27 0.55 0.00 -0.22 0.00 0.00 33.01 32.20 1xr2 s GLN 284 CO 0.75 0.29 1.78 -0.35 -0.25 0.00 0.00 175.29 177.51 1xr2 n PRO 285 N 0.98 2.06 -3.74 2.91 -0.04 -1.26 -4.90 135.00 131.02 1xr2 n PRO 285 Ca -0.19 -2.53 -0.37 0.00 -0.04 0.00 0.00 63.50 60.37 1xr2 n PRO 285 Cb 0.54 -1.99 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 1xr2 n PRO 285 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xr2 s TRP 286 N -2.79 3.64 0.40 0.54 0.52 -1.26 -1.05 118.94 118.94 1xr2 s TRP 286 Ca 0.48 0.68 -0.25 0.00 0.02 0.00 0.00 56.10 57.03 1xr2 s TRP 286 Cb 0.40 -2.06 -0.08 0.00 -1.15 0.00 0.00 33.47 30.58 1xr2 s TRP 286 CO 0.09 0.69 1.17 0.21 0.02 0.00 0.00 176.95 179.13 1xr2 s LYS 287 N -1.17 4.05 0.23 4.98 2.20 -0.40 -4.70 119.74 124.92 1xr2 s LYS 287 Ca 0.20 1.84 0.11 0.00 -0.36 0.00 0.00 55.97 57.76 1xr2 s LYS 287 Cb -0.14 -2.67 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 1xr2 s LYS 287 CO 0.09 -0.32 -0.21 0.54 -0.36 0.00 0.00 175.35 175.08 1xr2 s VAL 288 N -1.42 2.30 -0.60 4.02 0.11 -1.26 -4.99 120.40 118.57 1xr2 s VAL 288 Ca 0.57 -2.18 -0.27 0.00 -2.93 0.00 0.00 61.98 57.16 1xr2 s VAL 288 Cb -0.31 -2.16 0.01 0.00 -1.53 0.00 0.00 36.38 32.39 1xr2 s VAL 288 CO 0.38 -0.28 1.50 -0.62 -3.33 0.00 0.00 175.10 172.75 1xr2 s ASP 289 N -3.05 5.93 0.59 3.54 3.68 -1.26 -4.85 116.67 121.26 1xr2 s ASP 289 Ca 0.24 0.20 0.35 0.00 2.13 0.00 0.00 52.55 55.47 1xr2 s ASP 289 Cb -0.06 -2.54 1.88 0.00 -1.45 0.00 0.00 42.92 40.75 1xr2 s ASP 289 CO 0.11 -1.88 2.21 -0.07 0.13 0.00 0.00 175.17 175.67 1xr2 h LEU 290 N 13.85 0.00 -0.90 -1.34 3.38 -1.95 -1.87 115.31 126.48 1xr2 h LEU 290 Ca -0.27 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1xr2 h LEU 290 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1xr2 h LEU 290 CO 1.20 0.03 -0.52 0.03 0.09 0.00 0.00 178.44 179.28 1xr2 h ARG 291 N 0.00 0.09 0.01 1.13 2.47 -1.88 0.72 114.38 116.92 1xr2 h ARG 291 Ca -0.00 -0.05 -0.22 0.00 -1.26 0.00 0.00 59.98 58.45 1xr2 h ARG 291 Cb 0.17 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1xr2 h ARG 291 CO 0.00 0.59 -0.94 1.57 0.56 0.00 0.00 179.97 181.75 1xr2 h LYS 292 N 0.07 0.29 -0.24 0.04 -0.00 -1.75 -2.09 116.57 112.90 1xr2 h LYS 292 Ca -0.00 -0.33 -0.11 0.00 -0.00 0.00 0.00 60.65 60.21 1xr2 h LYS 292 Cb 0.94 0.10 -0.00 0.00 -0.00 0.00 0.00 32.23 33.26 1xr2 h LYS 292 CO 0.07 1.04 -0.28 0.28 -0.00 0.00 0.00 179.45 180.57 1xr2 h VAL 293 N 0.16 1.32 -0.85 0.07 2.07 -1.31 -2.48 116.25 115.22 1xr2 h VAL 293 Ca -0.07 -1.46 0.09 0.00 0.82 0.00 0.00 66.70 66.08 1xr2 h VAL 293 Cb 1.58 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 32.99 1xr2 h VAL 293 CO 0.15 0.46 0.51 0.00 0.02 0.00 0.00 177.57 178.71 1xr2 h ALA 294 N 0.66 1.21 -0.81 1.67 0.00 -0.85 -0.47 119.26 120.67 1xr2 h ALA 294 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xr2 h ALA 294 Cb 0.85 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1xr2 h ALA 294 CO 0.07 0.17 0.51 1.03 0.00 0.00 0.00 179.25 181.02 1xr2 h SER 295 N 0.87 0.96 -0.47 0.00 0.87 -1.17 0.05 113.55 114.66 1xr2 h SER 295 Ca 0.40 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.83 1xr2 h SER 295 Cb 0.32 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1xr2 h SER 295 CO -0.23 0.73 -0.04 0.25 -0.53 0.00 0.00 176.83 177.01 1xr2 h LEU 296 N 1.11 0.85 -0.70 2.23 5.85 -0.77 -0.78 115.31 123.10 1xr2 h LEU 296 Ca 0.29 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1xr2 h LEU 296 Cb -0.08 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 1xr2 h LEU 296 CO -0.06 0.98 0.40 0.58 -0.34 0.00 0.00 178.44 180.00 1xr2 h VAL 297 N 0.71 1.21 -0.31 1.05 2.07 -0.66 -2.02 116.25 118.29 1xr2 h VAL 297 Ca 0.13 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1xr2 h VAL 297 Cb 0.56 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1xr2 h VAL 297 CO 0.03 0.22 -0.27 -0.33 0.02 0.00 0.00 177.57 177.24 1xr2 h GLU 298 N 0.96 0.74 -0.76 1.57 5.08 -0.81 -1.44 114.58 119.92 1xr2 h GLU 298 Ca 0.25 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1xr2 h GLU 298 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1xr2 h GLU 298 CO -0.04 0.99 0.50 0.87 -1.00 0.00 0.00 179.01 180.33 1xr2 h LYS 299 N 0.50 0.98 0.00 2.33 1.57 -0.98 -1.29 116.57 119.68 1xr2 h LYS 299 Ca 0.05 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xr2 h LYS 299 Cb 0.84 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1xr2 h LYS 299 CO 0.07 0.65 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.49 1xr2 h LEU 300 N 1.01 0.00 0.78 2.94 4.07 -1.19 -3.47 115.31 119.46 1xr2 h LEU 300 Ca 0.28 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.93 1xr2 h LEU 300 Cb -0.09 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 41.53 1xr2 h LEU 300 CO -0.07 0.04 -0.29 0.61 -1.08 0.00 0.00 178.44 177.65 1xr2 n GLY 301 N 0.70 1.51 3.74 0.83 0.00 -0.49 -4.93 105.19 106.55 1xr2 n GLY 301 Ca 0.03 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1xr2 n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr2 n ALA 302 N 1.18 1.67 0.11 4.61 0.00 -1.10 -4.93 120.51 122.05 1xr2 n ALA 302 Ca -0.16 0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.61 1xr2 n ALA 302 Cb 0.51 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1xr2 n ALA 302 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xr2 h SER 303 N 1.99 0.00 -5.43 0.00 4.64 -1.87 -3.48 113.55 109.40 1xr2 h SER 303 Ca -0.50 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.64 1xr2 h SER 303 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1xr2 h SER 303 CO 0.59 0.06 -0.63 0.00 -0.87 0.00 0.00 176.83 175.99 1xr2 s ALA 304 N -3.31 0.84 0.20 5.18 0.00 -1.09 -2.58 121.76 121.00 1xr2 s ALA 304 Ca -0.00 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.51 1xr2 s ALA 304 Cb 0.09 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 24.07 1xr2 s ALA 304 CO 0.78 -0.50 0.06 0.96 0.00 0.00 0.00 175.76 177.06 1xr2 s ILE 305 N -4.05 0.44 -0.08 0.00 -4.36 -0.54 -0.85 121.20 111.76 1xr2 s ILE 305 Ca 0.25 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.35 1xr2 s ILE 305 Cb 0.07 -2.36 0.10 0.00 1.25 0.00 0.00 42.46 41.53 1xr2 s ILE 305 CO 0.02 -0.23 1.36 -0.94 0.24 0.00 0.00 174.94 175.39 1xr2 s SER 306 N -3.20 0.00 0.65 4.36 1.04 -0.67 0.34 113.70 116.21 1xr2 s SER 306 Ca 0.31 -0.05 -0.14 0.00 0.48 0.00 0.00 55.95 56.55 1xr2 s SER 306 Cb 0.07 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1xr2 s SER 306 CO 0.08 -0.08 1.06 0.54 0.98 0.00 0.00 173.24 175.83 1xr2 s ASN 307 N -3.88 5.48 0.09 7.02 4.22 -1.26 -0.99 114.94 125.63 1xr2 s ASN 307 Ca 0.31 1.76 -0.14 0.00 -2.14 0.00 0.00 52.86 52.65 1xr2 s ASN 307 Cb 0.00 -2.52 -0.16 0.00 1.28 0.00 0.00 41.25 39.85 1xr2 s ASN 307 CO -0.03 -1.37 1.29 0.77 -2.04 0.00 0.00 177.10 175.72 1xr2 h SER 308 N -0.13 0.89 -5.47 3.54 4.64 -0.74 -3.41 113.55 112.86 1xr2 h SER 308 Ca -0.45 -0.64 -0.19 0.00 -0.47 0.00 0.00 61.79 60.04 1xr2 h SER 308 Cb 1.22 -0.26 -0.14 0.00 -0.31 0.00 0.00 62.40 62.90 1xr2 h SER 308 CO 0.56 1.38 -0.56 0.00 -0.87 0.00 0.00 176.83 177.35 1xr2 n PRO 310 N -0.22 0.68 0.00 0.00 -0.02 -1.26 -4.31 135.00 129.88 1xr2 n PRO 310 Ca -0.02 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1xr2 n PRO 310 Cb 0.65 -1.66 0.61 0.00 -0.02 0.00 0.00 33.50 33.08 1xr2 n PRO 310 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xr2 n LEU 311 N 1.90 0.00 0.00 2.45 4.77 -1.03 -3.71 117.00 121.38 1xr2 n LEU 311 Ca 0.17 0.33 0.08 0.00 -0.03 0.00 0.00 56.01 56.55 1xr2 n LEU 311 Cb 0.21 -0.33 0.45 0.00 -2.33 0.00 0.00 43.42 41.42 1xr2 n LEU 311 CO 0.60 -0.05 0.69 2.22 -1.33 0.00 0.00 177.39 179.52 1xr2 n PHE 312 N -1.33 0.00 1.40 -1.77 -0.00 0.22 -1.75 117.46 114.23 1xr2 n PHE 312 Ca 0.11 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.68 1xr2 n PHE 312 Cb 0.22 0.00 0.47 0.00 -0.00 0.00 0.00 39.48 40.16 1xr2 n PHE 312 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1xr2 n HIS 313 N -0.84 0.11 -4.43 2.97 8.25 -1.24 -4.44 115.22 115.60 1xr2 n HIS 313 Ca 0.11 -0.05 -0.25 0.00 -0.26 0.00 0.00 57.72 57.27 1xr2 n HIS 313 Cb 0.05 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.05 1xr2 n HIS 313 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xr2 s LEU 314 N -1.76 2.51 1.13 2.41 1.43 -0.71 -4.89 118.68 118.79 1xr2 s LEU 314 Ca 0.35 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 52.36 1xr2 s LEU 314 Cb 0.19 -1.08 0.25 0.00 0.03 0.00 0.00 46.19 45.58 1xr2 s LEU 314 CO 0.29 0.06 1.06 -2.84 0.23 0.00 0.00 176.35 175.15 1xr2 s PRO 315 N -3.10 -0.60 -0.07 1.29 0.02 -1.26 -4.73 135.00 126.55 1xr2 s PRO 315 Ca 0.24 0.50 -0.16 0.00 0.02 0.00 0.00 61.00 61.60 1xr2 s PRO 315 Cb -0.06 -1.62 -0.12 0.00 0.02 0.00 0.00 34.50 32.72 1xr2 s PRO 315 CO 0.12 -3.42 0.61 0.28 -0.33 0.00 0.00 177.00 174.26 1xr2 h VAL 316 N -2.39 0.61 -3.91 3.83 2.07 -1.86 -2.23 116.25 112.36 1xr2 h VAL 316 Ca -0.56 -1.15 -0.18 0.00 0.82 0.00 0.00 66.70 65.63 1xr2 h VAL 316 Cb 1.33 1.07 -0.22 0.00 -1.52 0.00 0.00 31.29 31.95 1xr2 h VAL 316 CO 0.51 0.18 -0.69 -0.89 0.02 0.00 0.00 177.57 176.69 1xr2 s THR 317 N -2.83 0.09 -0.47 2.57 2.01 -1.26 -1.42 115.64 114.34 1xr2 s THR 317 Ca -0.10 -0.75 0.23 0.00 0.31 0.00 0.00 61.69 61.38 1xr2 s THR 317 Cb -0.00 -0.23 -0.12 0.00 0.01 0.00 0.00 72.50 72.16 1xr2 s THR 317 CO 0.35 -0.41 0.97 -0.11 -0.69 0.00 0.00 174.62 174.72 1xr2 n LEU 318 N 1.84 0.58 -0.29 4.42 7.94 -1.26 -4.61 117.00 125.63 1xr2 n LEU 318 Ca -0.22 0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1xr2 n LEU 318 Cb 0.56 -0.08 0.04 0.00 0.53 0.00 0.00 43.42 44.47 1xr2 n LEU 318 CO 0.21 -0.01 0.45 -0.62 -1.11 0.00 0.00 177.39 176.31 1xr2 n GLU 319 N -2.14 -0.16 -0.02 1.96 4.71 -1.26 -1.12 120.64 122.61 1xr2 n GLU 319 Ca 0.01 1.16 0.13 0.00 -0.01 0.00 0.00 57.16 58.45 1xr2 n GLU 319 Cb 0.47 -1.72 0.54 0.00 -1.01 0.00 0.00 31.44 29.73 1xr2 n GLU 319 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1xr2 n LEU 320 N -5.12 1.26 -4.44 -4.62 4.32 -1.26 -4.70 117.00 102.44 1xr2 n LEU 320 Ca 0.08 -0.46 -0.39 0.00 -0.02 0.00 0.00 56.01 55.22 1xr2 n LEU 320 Cb 0.31 -0.03 -0.02 0.00 -1.62 0.00 0.00 43.42 42.07 1xr2 n LEU 320 CO -0.10 0.23 1.96 -0.62 -1.22 0.00 0.00 177.39 177.63 1xr2 n GLU 321 N 0.00 2.70 -0.62 3.23 -0.58 -0.27 -4.67 120.64 120.42 1xr2 n GLU 321 Ca 0.19 -2.94 0.08 0.00 -0.42 0.00 0.00 57.16 54.07 1xr2 n GLU 321 Cb 0.30 -3.50 0.32 0.00 -0.57 0.00 0.00 31.44 27.99 1xr2 n GLU 321 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xr2 n ASN 322 N 9.52 4.66 -0.25 1.62 3.02 -1.26 -4.37 115.26 128.19 1xr2 n ASN 322 Ca 0.48 -2.78 0.07 0.00 -0.03 0.00 0.00 54.58 52.33 1xr2 n ASN 322 Cb 0.45 -0.58 0.12 0.00 -0.61 0.00 0.00 39.78 39.16 1xr2 n ASN 322 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xr2 n ASN 323 N 0.33 1.78 -4.87 6.41 4.13 -1.26 -5.06 115.26 116.71 1xr2 n ASN 323 Ca 0.24 -2.93 -0.30 0.00 1.68 0.00 0.00 54.58 53.26 1xr2 n ASN 323 Cb 0.96 -0.39 -0.01 0.00 -1.54 0.00 0.00 39.78 38.80 1xr2 n ASN 323 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xr2 s LEU 324 N -2.27 3.58 0.40 3.41 1.02 -1.26 -5.00 118.68 118.56 1xr2 s LEU 324 Ca 0.26 1.27 -0.25 0.00 0.02 0.00 0.00 54.13 55.43 1xr2 s LEU 324 Cb 0.24 -4.22 -0.11 0.00 0.02 0.00 0.00 46.19 42.12 1xr2 s LEU 324 CO 0.01 -0.61 1.01 -2.65 0.02 0.00 0.00 176.35 174.13 1xr2 n PRO 325 N -1.95 1.36 -1.60 1.29 -0.02 -1.26 -4.79 135.00 128.03 1xr2 n PRO 325 Ca 0.04 0.49 -0.51 0.00 -2.02 0.00 0.00 63.50 61.49 1xr2 n PRO 325 Cb 0.54 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 1xr2 n PRO 325 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xr2 n GLY 326 N 1.19 0.56 1.24 -1.23 0.00 -1.26 -1.94 105.19 103.74 1xr2 n GLY 326 Ca 0.09 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1xr2 n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr2 n GLY 327 N 2.65 2.85 0.14 -0.02 0.00 -1.26 -4.94 105.19 104.61 1xr2 n GLY 327 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1xr2 n GLY 327 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xr2 h LEU 328 N 0.00 0.44 -1.45 0.99 5.85 -1.72 -3.31 115.31 116.12 1xr2 h LEU 328 Ca 0.00 -0.66 0.17 0.00 0.84 0.00 0.00 57.88 58.22 1xr2 h LEU 328 Cb 0.00 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1xr2 h LEU 328 CO 0.00 1.04 0.56 0.50 -0.34 0.00 0.00 178.44 180.20 1xr2 h LYS 329 N -0.12 0.49 0.00 1.25 3.64 -1.91 0.65 116.57 120.57 1xr2 h LYS 329 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1xr2 h LYS 329 Cb 1.04 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1xr2 h LYS 329 CO 0.08 0.33 0.00 0.39 -2.27 0.00 0.00 179.45 177.97 1xr2 n GLU 330 N -4.52 0.30 -0.02 1.90 4.71 -1.25 -2.66 120.64 119.09 1xr2 n GLU 330 Ca 0.17 0.09 0.05 0.00 -0.01 0.00 0.00 57.16 57.46 1xr2 n GLU 330 Cb 0.57 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.56 1xr2 n GLU 330 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1xr2 n LYS 331 N -1.29 0.70 -4.05 3.49 5.02 0.21 -4.97 118.16 117.27 1xr2 n LYS 331 Ca 0.10 -1.20 -0.22 0.00 -2.02 0.00 0.00 58.31 54.98 1xr2 n LYS 331 Cb 0.17 -1.19 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 1xr2 n LYS 331 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xr2 s LEU 332 N -0.81 3.87 -0.27 -0.35 1.02 -1.09 -1.27 118.68 119.77 1xr2 s LEU 332 Ca 0.12 -0.23 -0.09 0.00 0.02 0.00 0.00 54.13 53.96 1xr2 s LEU 332 Cb 0.08 -2.41 0.12 0.00 0.02 0.00 0.00 46.19 44.00 1xr2 s LEU 332 CO 0.12 -0.08 0.58 0.00 0.02 0.00 0.00 176.35 176.98 1xr2 s ALA 333 N -2.13 -1.80 0.14 4.21 0.00 -0.22 -4.59 121.76 117.38 1xr2 s ALA 333 Ca 0.34 2.06 0.00 0.00 0.00 0.00 0.00 51.96 54.36 1xr2 s ALA 333 Cb -0.08 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1xr2 s ALA 333 CO 0.26 -0.91 0.00 1.19 0.00 0.00 0.00 175.76 176.30 1xr2 n PHE 334 N 5.43 -1.99 -0.10 0.00 3.72 -1.26 -4.38 117.46 118.87 1xr2 n PHE 334 Ca -0.10 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.23 1xr2 n PHE 334 Cb 0.49 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1xr2 n PHE 334 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xr2 h ALA 335 N -0.32 -0.01 -0.35 4.37 0.00 -1.44 0.44 119.26 121.95 1xr2 h ALA 335 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1xr2 h ALA 335 Cb 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xr2 h ALA 335 CO 0.00 -0.62 0.17 -0.22 0.00 0.00 0.00 179.25 178.58 1xr2 h LYS 336 N -0.18 0.34 0.00 0.00 3.64 -1.49 -1.71 116.57 117.17 1xr2 h LYS 336 Ca 0.18 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1xr2 h LYS 336 Cb 0.46 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1xr2 h LYS 336 CO -0.47 0.23 -0.18 0.93 -2.27 0.00 0.00 179.45 177.68 1xr2 h GLU 337 N 0.35 0.00 -0.38 1.90 3.07 -1.53 -2.06 114.58 115.93 1xr2 h GLU 337 Ca 0.15 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 1xr2 h GLU 337 Cb 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1xr2 h GLU 337 CO -0.11 0.18 -0.32 0.87 -1.40 0.00 0.00 179.01 178.23 1xr2 h LYS 338 N 0.00 0.85 -0.57 2.33 1.79 0.71 -0.88 116.57 120.79 1xr2 h LYS 338 Ca -0.00 -0.40 -0.03 0.00 -2.18 0.00 0.00 60.65 58.03 1xr2 h LYS 338 Cb 0.36 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1xr2 h LYS 338 CO 0.02 1.04 0.24 1.25 -1.08 0.00 0.00 179.45 180.93 1xr2 h LEU 339 N 0.71 0.78 -1.26 2.94 5.85 -0.74 -1.89 115.31 121.70 1xr2 h LEU 339 Ca 0.07 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1xr2 h LEU 339 Cb 0.88 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1xr2 h LEU 339 CO 0.08 0.72 -0.36 -0.33 -0.34 0.00 0.00 178.44 178.21 1xr2 h GLU 340 N 0.78 0.00 -0.19 1.25 5.08 -1.20 -1.74 114.58 118.56 1xr2 h GLU 340 Ca 0.19 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1xr2 h GLU 340 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1xr2 h GLU 340 CO -0.02 0.36 -0.31 0.93 -1.00 0.00 0.00 179.01 178.98 1xr2 h GLU 341 N 0.00 0.38 -0.17 2.33 5.08 -0.47 -0.84 114.58 120.90 1xr2 h GLU 341 Ca -0.00 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 1xr2 h GLU 341 Cb 0.67 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1xr2 h GLU 341 CO 0.05 0.66 -0.54 -0.07 -1.00 0.00 0.00 179.01 178.10 1xr2 h LEU 342 N 0.33 0.54 -0.13 1.33 3.38 -0.59 -1.89 115.31 118.28 1xr2 h LEU 342 Ca 0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1xr2 h LEU 342 Cb 0.71 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1xr2 h LEU 342 CO 0.05 0.97 0.01 0.50 0.09 0.00 0.00 178.44 180.07 1xr2 h LYS 343 N 0.38 0.22 -0.41 1.13 3.64 -0.88 -0.69 116.57 119.96 1xr2 h LYS 343 Ca 0.01 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1xr2 h LYS 343 Cb 1.07 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1xr2 h LYS 343 CO 0.10 0.43 0.12 0.52 -2.27 0.00 0.00 179.45 178.34 1xr2 h MET 344 N -0.01 0.25 -0.86 1.90 2.86 -1.12 -1.54 114.93 116.41 1xr2 h MET 344 Ca 0.04 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1xr2 h MET 344 Cb 0.32 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 1xr2 h MET 344 CO 0.00 0.17 0.54 1.25 1.06 0.00 0.00 176.91 179.93 1xr2 h LEU 345 N 0.26 0.85 -0.06 1.22 5.85 -1.14 -1.08 115.31 121.21 1xr2 h LEU 345 Ca 0.19 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1xr2 h LEU 345 Cb 0.21 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1xr2 h LEU 345 CO -0.22 0.56 0.02 0.50 -0.34 0.00 0.00 178.44 178.95 1xr2 h LYS 346 N 0.99 0.10 -0.62 1.25 3.64 -0.43 -2.07 116.57 119.43 1xr2 h LYS 346 Ca 0.37 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1xr2 h LYS 346 Cb 0.13 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1xr2 h LYS 346 CO -0.16 0.28 0.41 -0.44 -2.27 0.00 0.00 179.45 177.26 1xr2 h ASP 347 N -0.10 0.72 0.83 4.20 3.32 -0.96 -1.80 116.42 122.64 1xr2 h ASP 347 Ca 0.02 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1xr2 h ASP 347 Cb 0.22 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1xr2 h ASP 347 CO -0.00 0.53 -0.45 0.15 -1.72 0.00 0.00 179.24 177.76 1xr2 h PHE 348 N 0.84 -1.17 -0.61 4.55 3.57 -1.17 -0.93 116.94 122.03 1xr2 h PHE 348 Ca 0.23 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.88 1xr2 h PHE 348 Cb -0.08 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1xr2 h PHE 348 CO -0.03 -0.70 0.52 -0.07 -2.23 0.00 0.00 178.31 175.81 1xr2 h LEU 349 N -1.18 0.00 -1.45 0.59 3.38 -1.27 0.15 115.31 115.52 1xr2 h LEU 349 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xr2 h LEU 349 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1xr2 h LEU 349 CO 0.16 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.07 1xr2 n GLU 350 N -4.00 1.94 -1.81 1.13 1.02 -0.68 -4.92 120.64 113.31 1xr2 n GLU 350 Ca 0.12 -1.43 -0.13 0.00 -0.02 0.00 0.00 57.16 55.70 1xr2 n GLU 350 Cb 0.75 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.76 1xr2 n GLU 350 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xr2 n GLY 351 N 1.20 0.59 0.01 0.62 0.00 0.04 -4.87 105.19 102.77 1xr2 n GLY 351 Ca 0.16 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1xr2 n GLY 351 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xr2 n LYS 352 N -2.42 0.03 0.00 1.61 5.02 -0.39 -5.05 118.16 116.96 1xr2 n LYS 352 Ca -0.14 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1xr2 n LYS 352 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1xr2 n LYS 352 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xr2 n THR 353 N -1.47 0.00 -3.65 -0.18 -2.24 -1.19 -4.95 114.28 100.60 1xr2 n THR 353 Ca 0.05 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.80 1xr2 n THR 353 Cb 0.33 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.50 1xr2 n THR 353 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xr2 s LEU 356 N 0.00 -0.33 0.86 3.22 1.43 -1.26 -4.94 118.68 117.66 1xr2 s LEU 356 Ca 0.00 0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 1xr2 s LEU 356 Cb 0.00 1.52 0.11 0.00 0.03 0.00 0.00 46.19 47.85 1xr2 s LEU 356 CO 0.00 -0.09 1.18 -2.84 0.23 0.00 0.00 176.35 174.83 1xr2 s PRO 357 N 0.89 1.35 -0.01 1.29 0.02 -1.26 -4.96 135.00 132.32 1xr2 s PRO 357 Ca -0.04 1.66 -0.23 0.00 0.02 0.00 0.00 61.00 62.41 1xr2 s PRO 357 Cb -0.04 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.68 1xr2 s PRO 357 CO -0.12 -2.41 0.70 0.54 -0.33 0.00 0.00 177.00 175.38 1xr2 s ASN 358 N -2.39 7.07 -0.21 2.53 2.20 -1.26 -4.64 114.94 118.23 1xr2 s ASN 358 Ca 0.70 1.28 -0.00 0.00 -0.94 0.00 0.00 52.86 53.90 1xr2 s ASN 358 Cb -0.26 -2.42 0.06 0.00 -2.00 0.00 0.00 41.25 36.63 1xr2 s ASN 358 CO 0.54 -0.01 -0.04 -0.69 -2.94 0.00 0.00 177.10 173.96 1xr2 s VAL 359 N 0.22 1.24 -0.30 3.54 1.01 -1.26 -5.07 120.40 119.78 1xr2 s VAL 359 Ca 0.36 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1xr2 s VAL 359 Cb -0.19 -1.54 0.17 0.00 0.00 0.00 0.00 36.38 34.83 1xr2 s VAL 359 CO 0.20 -0.07 0.61 -0.44 0.00 0.00 0.00 175.10 175.40 1xr2 s SER 360 N 1.54 -1.33 -0.30 3.32 0.01 -1.26 -4.61 113.70 111.07 1xr2 s SER 360 Ca -0.03 1.06 0.19 0.00 1.31 0.00 0.00 55.95 58.48 1xr2 s SER 360 Cb -0.18 2.21 0.47 0.00 0.21 0.00 0.00 66.02 68.73 1xr2 s SER 360 CO -0.07 -0.25 1.10 2.22 0.41 0.00 0.00 173.24 176.65 1xr2 n PHE 361 N 5.44 0.70 -0.37 2.43 -1.74 -1.26 -4.95 117.46 117.69 1xr2 n PHE 361 Ca -0.04 -2.35 0.00 0.00 -0.56 0.00 0.00 57.45 54.51 1xr2 n PHE 361 Cb 0.50 -0.02 0.15 0.00 1.52 0.00 0.00 39.48 41.63 1xr2 n PHE 361 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 1xr2 h GLU 362 N 2.60 1.23 0.00 3.97 5.08 -2.01 -2.66 114.58 122.79 1xr2 h GLU 362 Ca -0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1xr2 h GLU 362 Cb 1.24 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1xr2 h GLU 362 CO 0.26 0.82 -0.44 -0.25 -1.00 0.00 0.00 179.01 178.40 1xr2 n ASP 363 N -4.44 0.48 -4.65 1.42 8.00 -1.26 -4.84 116.55 111.25 1xr2 n ASP 363 Ca 0.14 -0.02 -0.55 0.00 0.71 0.00 0.00 54.79 55.07 1xr2 n ASP 363 Cb 0.10 0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.22 1xr2 n ASP 363 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1xr2 n PHE 364 N -1.67 1.82 -2.51 1.24 7.35 -1.00 -1.42 117.46 121.26 1xr2 n PHE 364 Ca 0.05 0.57 -0.12 0.00 -0.76 0.00 0.00 57.45 57.19 1xr2 n PHE 364 Cb 0.36 -2.41 -0.00 0.00 0.35 0.00 0.00 39.48 37.78 1xr2 n PHE 364 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xr2 n ALA 365 N 4.08 -0.82 -2.59 3.13 0.00 -1.26 -4.76 120.51 118.29 1xr2 n ALA 365 Ca 0.23 0.09 -0.39 0.00 0.00 0.00 0.00 53.44 53.36 1xr2 n ALA 365 Cb 0.16 -1.53 -0.09 0.00 0.00 0.00 0.00 19.45 17.99 1xr2 n ALA 365 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xr2 s VAL 366 N -2.59 5.18 -0.63 0.00 1.01 -0.50 -2.23 120.40 120.64 1xr2 s VAL 366 Ca 0.03 0.44 -0.17 0.00 0.00 0.00 0.00 61.98 62.28 1xr2 s VAL 366 Cb -0.02 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.78 1xr2 s VAL 366 CO 0.04 0.11 0.66 -0.62 0.00 0.00 0.00 175.10 175.29 1xr2 s ASP 367 N 1.67 6.31 0.27 3.32 3.68 -1.26 -4.94 116.67 125.72 1xr2 s ASP 367 Ca 0.14 -1.81 -0.02 0.00 2.13 0.00 0.00 52.55 52.99 1xr2 s ASP 367 Cb -0.16 -2.26 0.41 0.00 -1.45 0.00 0.00 42.92 39.46 1xr2 s ASP 367 CO 0.10 -0.93 1.91 0.17 0.13 0.00 0.00 175.17 176.55 1xr2 h LEU 368 N 9.23 1.03 -1.46 -1.34 8.10 -1.98 -0.32 115.31 128.56 1xr2 h LEU 368 Ca -0.21 -0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.73 1xr2 h LEU 368 Cb 1.08 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 41.07 1xr2 h LEU 368 CO 1.02 0.68 -0.26 -0.61 -4.11 0.00 0.00 178.44 175.16 1xr2 h GLN 369 N 1.18 0.01 0.15 0.17 -0.00 -2.00 -1.74 115.11 112.89 1xr2 h GLN 369 Ca 0.40 -0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.74 1xr2 h GLN 369 Cb 0.09 -0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.57 1xr2 h GLN 369 CO -0.14 0.27 -1.46 0.00 0.00 0.00 0.00 178.83 177.50 1xr2 h ALA 370 N 1.73 0.13 -0.30 3.38 0.00 -1.74 -2.91 119.26 119.55 1xr2 h ALA 370 Ca -0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 54.91 53.88 1xr2 h ALA 370 Cb 0.47 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1xr2 h ALA 370 CO 0.03 1.00 0.10 0.28 0.00 0.00 0.00 179.25 180.67 1xr2 h VAL 371 N 0.09 1.19 -0.11 0.00 2.07 -0.84 -2.56 116.25 116.10 1xr2 h VAL 371 Ca -0.22 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 1xr2 h VAL 371 Cb 2.04 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1xr2 h VAL 371 CO 0.20 0.21 -0.41 -0.33 0.02 0.00 0.00 177.57 177.25 1xr2 h GLU 372 N 0.32 0.24 -0.72 1.57 3.07 -1.46 -1.66 114.58 115.94 1xr2 h GLU 372 Ca 0.10 -0.11 0.10 0.00 -0.50 0.00 0.00 59.36 58.95 1xr2 h GLU 372 Cb 0.23 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.09 1xr2 h GLU 372 CO -0.00 0.62 0.47 0.07 -1.40 0.00 0.00 179.01 178.77 1xr2 h ARG 373 N 0.20 0.55 0.01 2.33 -0.00 -1.25 0.78 114.38 117.00 1xr2 h ARG 373 Ca 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.98 59.96 1xr2 h ARG 373 Cb 0.82 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 30.67 1xr2 h ARG 373 CO 0.06 0.36 -0.01 -0.24 -0.00 0.00 0.00 179.97 180.15 1xr2 h VAL 374 N 0.57 0.31 -0.49 0.08 3.04 -1.09 -3.31 116.25 115.35 1xr2 h VAL 374 Ca 0.33 -1.21 0.14 0.00 -1.01 0.00 0.00 66.70 64.95 1xr2 h VAL 374 Cb 0.54 0.59 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 1xr2 h VAL 374 CO -0.11 0.10 0.66 0.03 -1.01 0.00 0.00 177.57 177.24 1xr2 h ARG 375 N -1.00 0.00 -4.31 4.17 -0.00 -1.06 -3.43 114.38 108.75 1xr2 h ARG 375 Ca -0.00 0.00 -0.73 0.00 -0.50 0.00 0.00 59.98 58.75 1xr2 h ARG 375 Cb 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 29.97 29.89 1xr2 h ARG 375 CO 0.00 0.00 -0.38 -0.80 0.00 0.00 0.00 179.97 178.80 1xr2 s ASN 376 N -4.55 5.83 0.00 7.04 0.02 0.24 -5.07 114.94 118.45 1xr2 s ASN 376 Ca -0.03 -1.68 0.00 0.00 -1.02 0.00 0.00 52.86 50.13 1xr2 s ASN 376 Cb 0.13 -2.06 0.00 0.00 0.02 0.00 0.00 41.25 39.34 1xr2 s ASN 376 CO 0.46 -0.67 0.00 -2.65 0.02 0.00 0.00 177.10 174.26 1xr2 n PRO 378 N 5.01 0.00 0.00 -0.60 -0.02 -1.26 -4.99 135.00 133.14 1xr2 n PRO 378 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1xr2 n PRO 378 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1xr2 n PRO 378 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1xr2 n GLU 379 N 0.00 0.00 0.00 -0.52 0.00 -1.26 -4.91 120.64 113.95 1xr2 n GLU 379 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.23 1xr2 n GLU 379 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 31.44 31.81 1xr2 n GLU 379 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1xr2 n ASP 380 N -1.50 0.00 -0.09 -1.84 5.75 -1.26 -1.37 116.55 116.24 1xr2 n ASP 380 Ca 0.00 0.02 0.14 0.00 -0.01 0.00 0.00 54.79 54.94 1xr2 n ASP 380 Cb 0.00 -0.25 0.54 0.00 -1.03 0.00 0.00 41.12 40.38 1xr2 n ASP 380 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xr2 n SER 381 N -1.25 0.45 -0.00 -1.12 3.41 -1.26 -3.54 113.62 110.31 1xr2 n SER 381 Ca 0.07 -0.40 0.05 0.00 -0.26 0.00 0.00 58.87 58.33 1xr2 n SER 381 Cb 0.11 -0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1xr2 n SER 381 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xr2 n PHE 382 N -1.09 0.00 -4.15 7.33 3.72 -0.47 -4.28 117.46 118.52 1xr2 n PHE 382 Ca 0.12 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.26 1xr2 n PHE 382 Cb 0.30 -0.04 -0.17 0.00 -0.94 0.00 0.00 39.48 38.63 1xr2 n PHE 382 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1xr2 s ARG 383 N -2.05 1.54 0.80 -1.08 1.81 -1.23 -4.63 118.95 114.12 1xr2 s ARG 383 Ca 0.02 -0.30 -0.14 0.00 -1.72 0.00 0.00 55.73 53.60 1xr2 s ARG 383 Cb 0.07 -1.47 0.07 0.00 -0.45 0.00 0.00 34.95 33.17 1xr2 s ARG 383 CO 0.39 -0.16 1.17 0.54 -0.68 0.00 0.00 175.30 176.56 1xr2 n ARG 384 N 4.50 0.23 -0.25 3.54 1.74 -1.26 -4.77 116.66 120.40 1xr2 n ARG 384 Ca -0.17 0.15 0.04 0.00 -0.77 0.00 0.00 57.85 57.11 1xr2 n ARG 384 Cb 0.51 -2.41 0.17 0.00 -1.02 0.00 0.00 32.46 29.71 1xr2 n ARG 384 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1xr2 h GLU 385 N -0.81 0.41 -6.26 5.56 -0.00 -1.88 -3.43 114.58 108.16 1xr2 h GLU 385 Ca -0.46 -0.02 -0.58 0.00 -0.00 0.00 0.00 59.36 58.29 1xr2 h GLU 385 Cb 1.30 -0.09 -0.19 0.00 -0.00 0.00 0.00 28.75 29.77 1xr2 h GLU 385 CO 0.46 0.27 -0.81 0.15 -0.00 0.00 0.00 179.01 179.08 1xr2 s LYS 386 N -6.04 1.31 0.88 1.06 1.02 -1.26 -5.11 119.74 111.60 1xr2 s LYS 386 Ca -0.13 -1.37 -0.11 0.00 0.02 0.00 0.00 55.97 54.39 1xr2 s LYS 386 Cb 0.20 -1.53 0.12 0.00 -0.52 0.00 0.00 37.83 36.10 1xr2 s LYS 386 CO 0.76 0.33 1.11 -1.83 -0.92 0.00 0.00 175.35 174.80 1xr2 s GLU 387 N -2.46 1.33 0.15 1.68 4.04 -1.26 -4.71 118.70 117.46 1xr2 s GLU 387 Ca 0.14 1.26 -0.29 0.00 0.04 0.00 0.00 54.97 56.12 1xr2 s GLU 387 Cb -0.08 -1.78 -0.03 0.00 0.02 0.00 0.00 34.13 32.25 1xr2 s GLU 387 CO 0.07 -2.32 1.56 -0.92 -1.84 0.00 0.00 175.26 171.81 1xr2 h TYR 388 N -1.63 -1.41 -0.62 4.83 3.20 -1.98 -2.08 116.97 117.28 1xr2 h TYR 388 Ca -0.46 0.07 0.13 0.00 3.14 0.00 0.00 58.73 61.62 1xr2 h TYR 388 Cb 1.26 0.68 -0.12 0.00 1.54 0.00 0.00 36.73 40.09 1xr2 h TYR 388 CO 0.50 -0.46 -0.14 1.79 -1.64 0.00 0.00 178.16 178.21 1xr2 h THR 389 N -0.35 0.39 -0.68 1.81 1.35 -1.98 0.57 112.91 114.03 1xr2 h THR 389 Ca 0.12 -0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.95 1xr2 h THR 389 Cb 0.59 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 67.35 1xr2 h THR 389 CO -0.59 0.00 0.32 -0.33 -0.25 0.00 0.00 175.52 174.67 1xr2 h GLU 390 N 0.01 0.99 -0.51 4.72 3.07 -1.83 -2.45 114.58 118.57 1xr2 h GLU 390 Ca 0.30 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.98 1xr2 h GLU 390 Cb 0.47 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1xr2 h GLU 390 CO -0.63 0.79 0.19 0.00 -1.40 0.00 0.00 179.01 177.95 1xr2 h ARG 391 N 0.95 0.78 -0.09 2.33 3.08 -0.33 -3.06 114.38 118.04 1xr2 h ARG 391 Ca 0.23 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1xr2 h ARG 391 Cb 0.14 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1xr2 h ARG 391 CO -0.03 0.70 -0.33 0.22 -1.07 0.00 0.00 179.97 179.47 1xr2 h ASP 392 N 0.69 -1.02 -0.42 7.04 -0.00 0.42 0.07 116.42 123.21 1xr2 h ASP 392 Ca 0.17 0.14 0.09 0.00 -0.00 0.00 0.00 57.03 57.43 1xr2 h ASP 392 Cb 0.23 0.42 -0.08 0.00 -0.00 0.00 0.00 39.33 39.90 1xr2 h ASP 392 CO -0.01 -0.38 -0.13 0.03 -0.00 0.00 0.00 179.24 178.76 1xr2 h ARG 393 N -0.43 -0.03 0.12 0.28 3.08 -1.41 0.53 114.38 116.52 1xr2 h ARG 393 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1xr2 h ARG 393 Cb 0.56 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1xr2 h ARG 393 CO -0.33 -0.02 -0.06 0.82 -1.07 0.00 0.00 179.97 179.31 1xr2 h ILE 394 N -0.03 0.88 0.03 2.04 2.04 -1.35 -2.40 117.51 118.72 1xr2 h ILE 394 Ca 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1xr2 h ILE 394 Cb 0.34 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1xr2 h ILE 394 CO -0.45 0.00 -0.02 1.56 0.00 0.00 0.00 178.15 179.25 1xr2 h GLN 395 N -0.17 -0.04 -0.40 2.37 4.20 -0.63 -1.22 115.11 119.22 1xr2 h GLN 395 Ca -0.02 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.77 1xr2 h GLN 395 Cb 0.13 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.83 1xr2 h GLN 395 CO 0.03 0.02 -0.38 0.00 -0.67 0.00 0.00 178.83 177.82 1xr2 h ARG 396 N -0.09 -0.28 -0.11 1.46 2.47 -0.86 0.35 114.38 117.32 1xr2 h ARG 396 Ca -0.00 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1xr2 h ARG 396 Cb 0.08 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1xr2 h ARG 396 CO 0.01 -0.19 0.04 0.93 0.56 0.00 0.00 179.97 181.32 1xr2 h GLU 397 N -0.30 0.15 -0.07 0.04 4.39 -1.28 -0.95 114.58 116.56 1xr2 h GLU 397 Ca 0.15 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 1xr2 h GLU 397 Cb 0.57 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1xr2 h GLU 397 CO -0.56 0.13 -0.35 0.00 -1.16 0.00 0.00 179.01 177.07 1xr2 h ARG 398 N 0.15 0.36 0.05 2.33 2.47 0.53 -3.35 114.38 116.91 1xr2 h ARG 398 Ca 0.04 -0.29 -0.23 0.00 -1.26 0.00 0.00 59.98 58.24 1xr2 h ARG 398 Cb 0.04 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1xr2 h ARG 398 CO -0.00 0.93 -1.03 -0.07 0.56 0.00 0.00 179.97 180.36 1xr2 h LEU 399 N -0.13 0.36 -2.12 3.04 -0.00 -0.20 -3.48 115.31 112.77 1xr2 h LEU 399 Ca -0.02 -0.33 -0.39 0.00 -0.00 0.00 0.00 57.88 57.14 1xr2 h LEU 399 Cb 1.00 -0.11 0.09 0.00 -0.00 0.00 0.00 40.66 41.64 1xr2 h LEU 399 CO 0.07 1.18 -0.85 0.59 -0.00 0.00 0.00 178.44 179.43 1xr2 n ASN 400 N -3.61 -2.76 -4.92 -0.43 5.03 -0.38 -4.99 115.26 103.20 1xr2 n ASN 400 Ca -0.06 -0.82 -0.31 0.00 0.87 0.00 0.00 54.58 54.26 1xr2 n ASN 400 Cb 0.90 -4.20 -0.04 0.00 -1.02 0.00 0.00 39.78 35.41 1xr2 n ASN 400 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xr2 s LEU 401 N -6.42 4.33 0.00 3.41 1.43 -1.26 -5.11 118.68 115.06 1xr2 s LEU 401 Ca 0.15 0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 53.43 1xr2 s LEU 401 Cb -0.04 -3.05 0.23 0.00 0.03 0.00 0.00 46.19 43.37 1xr2 s LEU 401 CO 0.80 0.13 1.22 -0.81 0.23 0.00 0.00 176.35 177.92 1xr2 n PRO 402 N 0.17 -1.69 -2.21 1.29 -0.04 -1.26 -5.01 135.00 126.25 1xr2 n PRO 402 Ca -0.04 -1.89 -0.35 0.00 -0.04 0.00 0.00 63.50 61.17 1xr2 n PRO 402 Cb 0.51 -1.37 0.01 0.00 -0.04 0.00 0.00 33.50 32.61 1xr2 n PRO 402 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xr2 s LEU 403 N 0.00 3.76 -1.20 1.53 0.20 -1.26 -3.64 118.68 118.08 1xr2 s LEU 403 Ca 0.71 2.23 -0.22 0.00 0.69 0.00 0.00 54.13 57.54 1xr2 s LEU 403 Cb -0.03 -4.55 0.01 0.00 -0.43 0.00 0.00 46.19 41.19 1xr2 s LEU 403 CO 0.51 -1.26 0.71 0.49 -0.29 0.00 0.00 176.35 176.51 1xr2 n PHE 404 N -1.27 -1.73 -1.91 5.38 3.72 -1.25 -4.89 117.46 115.51 1xr2 n PHE 404 Ca 0.12 0.39 -0.38 0.00 -0.05 0.00 0.00 57.45 57.53 1xr2 n PHE 404 Cb 0.50 -3.29 0.03 0.00 -0.94 0.00 0.00 39.48 35.79 1xr2 n PHE 404 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xr2 s PRO 405 N -6.45 3.15 0.11 -1.08 0.04 -1.24 -4.61 135.00 124.91 1xr2 s PRO 405 Ca 0.42 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.56 1xr2 s PRO 405 Cb -0.17 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1xr2 s PRO 405 CO 0.90 -1.13 0.04 0.95 0.04 0.00 0.00 177.00 177.80 1xr2 s THR 406 N -1.41 4.22 0.17 1.26 -4.23 -1.26 -1.46 115.64 112.93 1xr2 s THR 406 Ca 0.73 -0.97 -0.23 0.00 -1.18 0.00 0.00 61.69 60.04 1xr2 s THR 406 Cb -0.36 -3.05 0.08 0.00 1.34 0.00 0.00 72.50 70.51 1xr2 s THR 406 CO 0.42 0.07 1.05 0.28 -0.54 0.00 0.00 174.62 175.90 1xr2 s THR 407 N -1.44 0.00 0.29 3.99 -1.32 -1.07 -1.30 115.64 114.80 1xr2 s THR 407 Ca 0.28 -0.56 0.07 0.00 -1.21 0.00 0.00 61.69 60.26 1xr2 s THR 407 Cb -0.11 -2.87 -0.06 0.00 -1.51 0.00 0.00 72.50 67.95 1xr2 s THR 407 CO 0.20 0.00 -0.06 0.42 -2.21 0.00 0.00 174.62 172.97 1xr2 s THR 408 N -2.18 1.71 -0.19 5.08 -4.23 -1.26 -4.19 115.64 110.38 1xr2 s THR 408 Ca 0.22 -2.13 0.18 0.00 -1.18 0.00 0.00 61.69 58.78 1xr2 s THR 408 Cb -0.02 -2.49 0.46 0.00 1.34 0.00 0.00 72.50 71.78 1xr2 s THR 408 CO 0.05 -0.27 1.17 2.30 -0.54 0.00 0.00 174.62 177.32 1xr2 n ILE 409 N -0.62 1.43 -2.48 2.99 -6.64 -1.26 -4.92 119.36 107.87 1xr2 n ILE 409 Ca -0.05 -2.79 0.00 0.00 -1.77 0.00 0.00 62.75 58.14 1xr2 n ILE 409 Cb 0.64 0.33 0.00 0.00 -1.44 0.00 0.00 39.64 39.16 1xr2 n ILE 409 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1xr2 n GLY 410 N -0.45 1.60 3.81 3.28 0.00 -1.26 -4.60 105.19 107.57 1xr2 n GLY 410 Ca 0.18 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1xr2 n GLY 410 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xr2 s SER 411 N 2.00 5.10 0.36 1.61 0.01 -1.26 -4.73 113.70 116.79 1xr2 s SER 411 Ca 0.00 1.54 0.07 0.00 1.31 0.00 0.00 55.95 58.88 1xr2 s SER 411 Cb 0.00 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1xr2 s SER 411 CO 0.00 -1.61 0.35 -0.36 0.41 0.00 0.00 173.24 172.03 1xr2 s PHE 412 N -3.07 2.88 0.56 2.43 2.99 -0.94 -2.08 117.98 120.76 1xr2 s PHE 412 Ca 0.59 -0.34 -0.20 0.00 0.00 0.00 0.00 56.93 56.98 1xr2 s PHE 412 Cb -0.14 -1.94 -0.06 0.00 0.00 0.00 0.00 43.02 40.88 1xr2 s PHE 412 CO 0.55 0.06 0.96 -2.30 -0.00 0.00 0.00 175.22 174.49 1xr2 n PRO 413 N -1.47 1.01 -4.02 0.24 -0.02 -1.25 -4.16 135.00 125.33 1xr2 n PRO 413 Ca 0.00 0.38 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 1xr2 n PRO 413 Cb 0.60 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 1xr2 n PRO 413 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xr2 s GLN 414 N -2.55 1.75 1.08 -0.52 -0.21 -1.26 -5.00 119.66 112.95 1xr2 s GLN 414 Ca 0.72 -1.60 -0.12 0.00 0.02 0.00 0.00 55.36 54.38 1xr2 s GLN 414 Cb -0.45 -3.01 0.24 0.00 1.00 0.00 0.00 33.01 30.79 1xr2 s GLN 414 CO 0.50 -0.78 1.06 0.95 -2.12 0.00 0.00 175.29 174.90 1xr2 s THR 415 N 1.03 2.09 0.26 -0.19 -4.23 -1.26 -4.73 115.64 108.61 1xr2 s THR 415 Ca 0.02 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.53 1xr2 s THR 415 Cb -0.19 -2.14 0.27 0.00 1.34 0.00 0.00 72.50 71.78 1xr2 s THR 415 CO -0.07 -0.04 1.91 -0.65 -0.54 0.00 0.00 174.62 175.22 1xr2 h PRO 416 N -2.35 1.21 -0.37 3.99 0.11 -1.99 -1.92 132.00 130.68 1xr2 h PRO 416 Ca -0.56 -0.07 0.07 0.00 0.11 0.00 0.00 66.00 65.55 1xr2 h PRO 416 Cb 1.32 -0.27 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 1xr2 h PRO 416 CO 0.49 0.80 -0.07 0.93 -0.21 0.00 0.00 178.00 179.95 1xr2 h GLU 417 N 1.24 0.03 -0.25 1.05 5.08 -1.99 0.34 114.58 120.09 1xr2 h GLU 417 Ca 0.40 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1xr2 h GLU 417 Cb 0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1xr2 h GLU 417 CO -0.13 0.02 0.16 0.28 -1.00 0.00 0.00 179.01 178.34 1xr2 h VAL 418 N 0.03 1.07 -0.52 3.13 2.07 -1.74 0.28 116.25 120.57 1xr2 h VAL 418 Ca 0.18 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1xr2 h VAL 418 Cb 0.27 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1xr2 h VAL 418 CO -0.36 0.07 0.34 0.03 0.02 0.00 0.00 177.57 177.67 1xr2 h ARG 419 N 0.33 0.67 -0.38 1.57 3.08 -0.59 -2.01 114.38 117.04 1xr2 h ARG 419 Ca 0.09 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 1xr2 h ARG 419 Cb -0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1xr2 h ARG 419 CO -0.02 0.45 -0.20 1.57 -1.07 0.00 0.00 179.97 180.70 1xr2 h LYS 420 N 0.69 0.81 -0.62 0.04 2.10 -0.17 -2.58 116.57 116.85 1xr2 h LYS 420 Ca 0.19 -0.36 0.06 0.00 -2.00 0.00 0.00 60.65 58.54 1xr2 h LYS 420 Cb -0.07 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.21 1xr2 h LYS 420 CO -0.05 0.99 0.41 1.98 -2.00 0.00 0.00 179.45 180.78 1xr2 h MET 421 N 0.62 0.61 -0.09 0.07 -1.53 -0.72 0.12 114.93 114.01 1xr2 h MET 421 Ca 0.08 -0.04 -0.15 0.00 -3.44 0.00 0.00 59.70 56.15 1xr2 h MET 421 Cb 0.76 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.66 1xr2 h MET 421 CO 0.06 0.41 -0.61 0.00 0.14 0.00 0.00 176.91 176.91 1xr2 h ARG 422 N 0.63 0.32 0.58 0.39 3.08 -1.22 -2.75 114.38 115.42 1xr2 h ARG 422 Ca 0.26 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1xr2 h ARG 422 Cb 0.23 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.32 1xr2 h ARG 422 CO -0.08 0.83 -0.28 0.77 -1.07 0.00 0.00 179.97 180.14 1xr2 h SER 423 N 0.24 -0.66 -0.76 7.04 0.02 -0.45 -1.85 113.55 117.13 1xr2 h SER 423 Ca -0.01 -0.04 0.20 0.00 -0.84 0.00 0.00 61.79 61.11 1xr2 h SER 423 Cb 1.13 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.80 1xr2 h SER 423 CO 0.10 -0.33 0.54 0.11 -1.14 0.00 0.00 176.83 176.10 1xr2 h LYS 424 N -1.01 0.10 0.00 3.45 1.57 -1.05 0.48 116.57 120.12 1xr2 h LYS 424 Ca -0.08 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 1xr2 h LYS 424 Cb 0.66 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1xr2 h LYS 424 CO 0.13 0.07 -0.64 -0.92 -0.57 0.00 0.00 179.45 177.52 1xr2 h TYR 425 N 0.10 0.00 0.03 -1.35 5.03 -1.32 0.26 116.97 119.73 1xr2 h TYR 425 Ca 0.37 0.00 -0.25 0.00 2.58 0.00 0.00 58.73 61.43 1xr2 h TYR 425 Cb 1.31 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.56 1xr2 h TYR 425 CO -0.00 0.64 -1.25 0.00 -1.32 0.00 0.00 178.16 176.23 1xr2 h ARG 426 N 0.00 0.07 0.00 1.82 3.08 0.64 -3.25 114.38 116.74 1xr2 h ARG 426 Ca -0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1xr2 h ARG 426 Cb 1.37 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.46 1xr2 h ARG 426 CO 0.08 0.94 -0.13 1.57 -1.07 0.00 0.00 179.97 181.37 1xr2 h LYS 427 N 0.02 0.00 0.00 0.04 -0.00 -0.61 -3.47 116.57 112.55 1xr2 h LYS 427 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.53 1xr2 h LYS 427 Cb 1.88 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 34.11 1xr2 h LYS 427 CO 0.13 0.09 0.00 0.41 -0.00 0.00 0.00 179.45 180.08 1xr2 n GLY 428 N 1.13 0.90 0.05 0.07 0.00 -0.76 -4.97 105.19 101.61 1xr2 n GLY 428 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 1xr2 n GLY 428 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xr2 n GLU 429 N -2.09 0.72 -3.85 1.61 0.00 0.86 -4.77 120.64 113.12 1xr2 n GLU 429 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 57.16 56.93 1xr2 n GLU 429 Cb 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 29.80 1xr2 n GLU 429 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 1xr2 s ILE 430 N -2.35 -0.01 0.76 3.84 -4.36 -1.01 -4.96 121.20 113.11 1xr2 s ILE 430 Ca 0.35 0.04 -0.11 0.00 -0.26 0.00 0.00 60.65 60.67 1xr2 s ILE 430 Cb 0.21 -0.03 0.05 0.00 1.25 0.00 0.00 42.46 43.93 1xr2 s ILE 430 CO 0.43 0.02 1.08 -0.94 0.24 0.00 0.00 174.94 175.77 1xr2 s SER 431 N 0.21 4.67 0.30 4.36 1.04 -1.26 -4.60 113.70 118.42 1xr2 s SER 431 Ca -0.02 1.77 0.01 0.00 0.48 0.00 0.00 55.95 58.19 1xr2 s SER 431 Cb -0.03 -2.51 0.47 0.00 0.10 0.00 0.00 66.02 64.06 1xr2 s SER 431 CO -0.01 -1.92 1.85 0.50 0.98 0.00 0.00 173.24 174.64 1xr2 h LYS 432 N -1.05 0.72 -0.64 4.02 3.64 -1.99 -1.64 116.57 119.63 1xr2 h LYS 432 Ca -0.44 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 58.71 1xr2 h LYS 432 Cb 1.23 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1xr2 h LYS 432 CO 0.53 0.68 0.08 0.93 -2.27 0.00 0.00 179.45 179.39 1xr2 h GLU 433 N 0.70 1.08 -0.17 1.90 5.08 -1.99 -1.28 114.58 119.89 1xr2 h GLU 433 Ca 0.15 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1xr2 h GLU 433 Cb 0.30 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1xr2 h GLU 433 CO 0.00 1.00 0.02 0.93 -1.00 0.00 0.00 179.01 179.96 1xr2 h GLU 434 N 0.99 0.28 -0.04 2.33 5.08 -1.83 -1.26 114.58 120.13 1xr2 h GLU 434 Ca 0.19 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1xr2 h GLU 434 Cb 0.47 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1xr2 h GLU 434 CO 0.02 0.48 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.46 1xr2 h TYR 435 N 0.05 -0.32 -0.85 4.33 -0.00 -1.19 0.41 116.97 119.41 1xr2 h TYR 435 Ca 0.05 0.01 0.03 0.00 -0.00 0.00 0.00 58.73 58.82 1xr2 h TYR 435 Cb 0.34 0.15 -0.05 0.00 -0.00 0.00 0.00 36.73 37.17 1xr2 h TYR 435 CO 0.03 -0.19 0.56 0.93 -0.00 0.00 0.00 178.16 179.48 1xr2 h GLU 436 N -0.19 1.03 -0.50 1.82 5.08 -1.19 0.05 114.58 120.66 1xr2 h GLU 436 Ca 0.06 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1xr2 h GLU 436 Cb 0.27 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1xr2 h GLU 436 CO -0.15 0.68 0.23 0.00 -1.00 0.00 0.00 179.01 178.77 1xr2 h ALA 437 N 1.50 0.65 0.22 3.43 0.00 -0.31 0.20 119.26 124.95 1xr2 h ALA 437 Ca 0.33 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xr2 h ALA 437 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xr2 h ALA 437 CO -0.10 0.23 -0.24 0.35 0.00 0.00 0.00 179.25 179.50 1xr2 h PHE 438 N 0.67 -0.64 -0.48 0.00 3.57 0.14 -2.13 116.94 118.07 1xr2 h PHE 438 Ca 0.17 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.77 1xr2 h PHE 438 Cb 0.15 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 1xr2 h PHE 438 CO -0.00 -0.35 -0.04 0.82 -2.23 0.00 0.00 178.31 176.51 1xr2 h ILE 439 N -0.50 0.59 -1.00 1.41 1.08 -0.69 0.62 117.51 119.00 1xr2 h ILE 439 Ca 0.00 -0.03 0.16 0.00 -0.39 0.00 0.00 64.86 64.61 1xr2 h ILE 439 Cb 0.48 0.51 -0.10 0.00 -3.07 0.00 0.00 36.82 34.64 1xr2 h ILE 439 CO -0.07 0.01 0.62 0.11 -0.69 0.00 0.00 178.15 178.13 1xr2 h LYS 440 N 0.07 0.83 -0.63 2.37 6.56 -0.22 -1.05 116.57 124.51 1xr2 h LYS 440 Ca 0.24 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.74 1xr2 h LYS 440 Cb 0.37 -0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 31.81 1xr2 h LYS 440 CO -0.44 0.55 0.22 1.49 -2.06 0.00 0.00 179.45 179.21 1xr2 h GLU 441 N 0.85 0.96 -0.43 3.15 4.57 -0.24 -2.01 114.58 121.43 1xr2 h GLU 441 Ca 0.54 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 58.45 1xr2 h GLU 441 Cb 0.74 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1xr2 h GLU 441 CO -0.33 0.83 -0.03 1.96 -1.18 0.00 0.00 179.01 180.26 1xr2 h GLN 442 N 0.89 0.79 -0.53 1.92 1.08 -0.71 -2.17 115.11 116.38 1xr2 h GLN 442 Ca 0.21 -0.27 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1xr2 h GLN 442 Cb 0.25 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.57 1xr2 h GLN 442 CO -0.01 0.87 0.26 0.82 -0.95 0.00 0.00 178.83 179.82 1xr2 h ILE 443 N 0.62 0.93 -0.04 2.54 2.04 -1.13 0.22 117.51 122.70 1xr2 h ILE 443 Ca 0.12 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1xr2 h ILE 443 Cb 0.54 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1xr2 h ILE 443 CO 0.03 0.09 0.01 0.11 0.00 0.00 0.00 178.15 178.39 1xr2 h LYS 444 N 0.50 0.03 0.04 2.37 1.57 -1.19 0.24 116.57 120.12 1xr2 h LYS 444 Ca 0.24 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1xr2 h LYS 444 Cb 0.16 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1xr2 h LYS 444 CO -0.18 0.02 -0.24 1.57 -0.57 0.00 0.00 179.45 180.05 1xr2 h LYS 445 N 0.03 -0.39 -0.26 3.15 -0.00 -0.79 0.22 116.57 118.53 1xr2 h LYS 445 Ca 0.02 0.03 0.06 0.00 -0.00 0.00 0.00 60.65 60.76 1xr2 h LYS 445 Cb 0.01 0.09 -0.07 0.00 -0.00 0.00 0.00 32.23 32.26 1xr2 h LYS 445 CO -0.02 -0.26 -0.23 0.00 -0.00 0.00 0.00 179.45 178.94 1xr2 h ALA 446 N 0.41 -0.10 0.27 0.07 0.00 -0.27 0.99 119.26 120.63 1xr2 h ALA 446 Ca 0.05 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xr2 h ALA 446 Cb 0.46 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1xr2 h ALA 446 CO -0.19 -0.65 -0.36 0.82 0.00 0.00 0.00 179.25 178.88 1xr2 h ILE 447 N -0.23 0.26 -0.52 0.00 1.08 0.04 -0.14 117.51 118.00 1xr2 h ILE 447 Ca 0.14 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.72 1xr2 h ILE 447 Cb 0.45 0.26 -0.09 0.00 -3.07 0.00 0.00 36.82 34.37 1xr2 h ILE 447 CO -0.39 0.00 -0.06 -0.33 -0.69 0.00 0.00 178.15 176.68 1xr2 h GLU 448 N -0.68 0.06 -0.26 2.37 5.08 -0.20 -0.16 114.58 120.79 1xr2 h GLU 448 Ca -0.00 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1xr2 h GLU 448 Cb 0.65 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1xr2 h GLU 448 CO -0.12 0.04 -0.04 1.25 -1.00 0.00 0.00 179.01 179.14 1xr2 h LEU 449 N 0.06 -0.19 -0.94 1.33 5.85 -0.33 -0.02 115.31 121.07 1xr2 h LEU 449 Ca 0.26 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 1xr2 h LEU 449 Cb 0.40 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1xr2 h LEU 449 CO -0.49 -0.06 0.58 1.56 -0.34 0.00 0.00 178.44 179.68 1xr2 h GLN 450 N 0.03 1.26 -0.59 1.25 4.20 -0.10 0.16 115.11 121.33 1xr2 h GLN 450 Ca 0.13 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1xr2 h GLN 450 Cb 0.18 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1xr2 h GLN 450 CO -0.25 0.88 0.30 0.93 -0.67 0.00 0.00 178.83 180.02 1xr2 h GLU 451 N 1.29 0.84 -0.12 1.46 4.39 -0.36 0.34 114.58 122.41 1xr2 h GLU 451 Ca 0.34 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1xr2 h GLU 451 Cb -0.07 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1xr2 h GLU 451 CO -0.07 0.66 0.06 1.49 -1.16 0.00 0.00 179.01 180.00 1xr2 h GLU 452 N 0.80 0.18 -0.83 2.33 4.22 -0.22 -2.25 114.58 118.80 1xr2 h GLU 452 Ca 0.20 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.67 1xr2 h GLU 452 Cb 0.09 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1xr2 h GLU 452 CO -0.03 0.23 0.55 0.82 -2.18 0.00 0.00 179.01 178.40 1xr2 h ILE 453 N 0.08 1.08 -0.01 2.32 1.08 -0.40 -3.47 117.51 118.20 1xr2 h ILE 453 Ca 0.04 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1xr2 h ILE 453 Cb 0.11 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 1xr2 h ILE 453 CO -0.01 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 178.24 1xr2 n GLY 454 N -1.41 1.56 3.82 5.37 0.00 0.07 -4.91 105.19 109.69 1xr2 n GLY 454 Ca 0.12 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1xr2 n GLY 454 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xr2 s LEU 455 N -0.01 3.71 -0.11 0.99 1.43 -0.98 -4.97 118.68 118.75 1xr2 s LEU 455 Ca 0.00 1.71 -0.13 0.00 -1.03 0.00 0.00 54.13 54.68 1xr2 s LEU 455 Cb 0.00 -4.53 -0.27 0.00 0.03 0.00 0.00 46.19 41.42 1xr2 s LEU 455 CO 0.00 -0.68 0.48 0.44 0.23 0.00 0.00 176.35 176.82 1xr2 h ASP 456 N 1.17 0.40 -3.20 2.29 3.45 -1.70 -3.46 116.42 115.37 1xr2 h ASP 456 Ca -0.48 -0.87 -0.67 0.00 0.43 0.00 0.00 57.03 55.45 1xr2 h ASP 456 Cb 1.20 -0.13 -0.34 0.00 -0.56 0.00 0.00 39.33 39.50 1xr2 h ASP 456 CO 0.60 1.72 -0.87 -0.69 -1.57 0.00 0.00 179.24 178.43 1xr2 s VAL 457 N -2.51 2.00 0.34 -1.35 1.01 -0.42 -4.25 120.40 115.23 1xr2 s VAL 457 Ca -0.21 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 60.90 1xr2 s VAL 457 Cb 0.05 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1xr2 s VAL 457 CO 0.76 0.54 0.36 -0.76 0.00 0.00 0.00 175.10 176.00 1xr2 s LEU 458 N 0.86 3.72 0.21 3.92 1.43 -0.12 -4.14 118.68 124.56 1xr2 s LEU 458 Ca -0.06 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1xr2 s LEU 458 Cb -0.15 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 1xr2 s LEU 458 CO -0.03 -0.39 -0.16 0.68 0.23 0.00 0.00 176.35 176.69 1xr2 s VAL 459 N -2.26 1.88 -0.85 -1.59 -7.23 -1.26 -0.50 120.40 108.59 1xr2 s VAL 459 Ca 0.42 -2.18 0.26 0.00 -1.81 0.00 0.00 61.98 58.67 1xr2 s VAL 459 Cb -0.07 -2.05 0.15 0.00 0.56 0.00 0.00 36.38 34.97 1xr2 s VAL 459 CO 0.28 -0.51 1.62 0.00 -0.31 0.00 0.00 175.10 176.18 1xr2 n HIS 460 N -0.28 0.35 0.00 2.82 1.44 -1.26 -4.71 115.22 113.57 1xr2 n HIS 460 Ca -0.09 0.10 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 1xr2 n HIS 460 Cb 0.60 -0.58 0.00 0.00 0.12 0.00 0.00 29.99 30.13 1xr2 n HIS 460 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xr2 n GLY 461 N 1.42 2.77 2.60 -1.39 0.00 -1.26 -4.51 105.19 104.82 1xr2 n GLY 461 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1xr2 n GLY 461 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xr2 n GLU 462 N -0.41 -2.63 0.30 1.61 1.02 -1.26 -2.22 120.64 117.04 1xr2 n GLU 462 Ca 0.00 0.91 0.18 0.00 -0.02 0.00 0.00 57.16 58.24 1xr2 n GLU 462 Cb 0.00 -5.62 0.88 0.00 -0.02 0.00 0.00 31.44 26.68 1xr2 n GLU 462 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1xr2 h PHE 463 N -0.38 0.00 -0.00 -0.32 0.04 -1.92 -1.56 116.94 112.80 1xr2 h PHE 463 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1xr2 h PHE 463 Cb 1.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.49 1xr2 h PHE 463 CO 0.58 0.02 -0.10 -0.85 -0.60 0.00 0.00 178.31 177.37 1xr2 n GLU 464 N -3.17 0.78 -4.05 1.51 0.00 -1.26 -4.86 120.64 109.58 1xr2 n GLU 464 Ca -0.01 -0.27 -0.35 0.00 0.00 0.00 0.00 57.16 56.53 1xr2 n GLU 464 Cb 0.22 -1.49 -0.07 0.00 0.00 0.00 0.00 31.44 30.09 1xr2 n GLU 464 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1xr2 s ARG 465 N -2.41 3.26 -0.10 3.44 0.52 -0.59 -4.99 118.95 118.08 1xr2 s ARG 465 Ca 0.31 -0.28 0.20 0.00 -0.52 0.00 0.00 55.73 55.44 1xr2 s ARG 465 Cb 0.20 -3.03 -0.29 0.00 0.52 0.00 0.00 34.95 32.36 1xr2 s ARG 465 CO 0.46 0.73 0.31 -2.37 0.02 0.00 0.00 175.30 174.45 1xr2 n THR 466 N 1.80 0.69 -3.62 0.02 5.66 -1.26 -5.00 114.28 112.58 1xr2 n THR 466 Ca -0.18 -0.67 -0.08 0.00 -3.05 0.00 0.00 64.05 60.07 1xr2 n THR 466 Cb 0.54 -0.24 -0.06 0.00 -1.55 0.00 0.00 70.33 69.01 1xr2 n THR 466 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1xr2 s ASP 467 N -5.02 -0.34 0.00 1.09 -1.08 -1.26 -5.04 116.67 105.02 1xr2 s ASP 467 Ca -0.09 0.54 0.13 0.00 -0.52 0.00 0.00 52.55 52.61 1xr2 s ASP 467 Cb 0.10 0.51 0.65 0.00 -1.46 0.00 0.00 42.92 42.73 1xr2 s ASP 467 CO 0.87 -0.19 1.31 1.15 0.52 0.00 0.00 175.17 178.83 1xr2 n MET 468 N 1.50 0.20 -0.04 4.34 0.00 -1.26 -2.59 117.12 119.28 1xr2 n MET 468 Ca -0.10 0.15 -0.06 0.00 0.00 0.00 0.00 57.70 57.68 1xr2 n MET 468 Cb 0.57 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.25 1xr2 n MET 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1xr2 n VAL 469 N -1.26 0.46 -0.24 3.17 0.31 -1.26 -4.58 118.33 114.93 1xr2 n VAL 469 Ca 0.06 -0.16 -0.04 0.00 -0.01 0.00 0.00 64.34 64.19 1xr2 n VAL 469 Cb 0.10 -0.94 0.07 0.00 -0.91 0.00 0.00 33.84 32.16 1xr2 n VAL 469 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1xr2 h GLU 470 N -0.06 0.84 -0.99 5.55 4.22 -1.95 -0.60 114.58 121.58 1xr2 h GLU 470 Ca -0.18 -0.05 0.07 0.00 0.08 0.00 0.00 59.36 59.28 1xr2 h GLU 470 Cb 1.26 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 30.25 1xr2 h GLU 470 CO -0.05 0.55 0.64 0.35 -2.18 0.00 0.00 179.01 178.33 1xr2 h PHE 471 N 0.86 1.18 0.05 0.92 3.57 -1.77 -2.58 116.94 119.17 1xr2 h PHE 471 Ca 0.27 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.53 1xr2 h PHE 471 Cb -0.01 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.32 1xr2 h PHE 471 CO -0.04 0.59 -1.37 0.74 -2.23 0.00 0.00 178.31 176.00 1xr2 h PHE 472 N 1.14 0.20 -0.94 0.41 -1.00 -1.69 -3.33 116.94 111.73 1xr2 h PHE 472 Ca 0.44 -0.15 0.02 0.00 2.81 0.00 0.00 57.97 61.10 1xr2 h PHE 472 Cb 0.22 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 39.72 1xr2 h PHE 472 CO -0.00 1.16 0.61 0.00 -1.61 0.00 0.00 178.31 178.47 1xr2 h ALA 473 N 0.78 1.22 0.00 2.45 0.00 -0.88 -1.00 119.26 121.83 1xr2 h ALA 473 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xr2 h ALA 473 Cb 1.93 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1xr2 h ALA 473 CO 0.14 0.52 0.00 0.39 0.00 0.00 0.00 179.25 180.30 1xr2 n GLU 474 N -4.47 0.15 -0.04 0.00 1.02 -1.00 -2.27 120.64 114.04 1xr2 n GLU 474 Ca 0.12 0.53 0.06 0.00 -0.02 0.00 0.00 57.16 57.84 1xr2 n GLU 474 Cb 0.06 -1.89 0.07 0.00 -0.02 0.00 0.00 31.44 29.66 1xr2 n GLU 474 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xr2 n LYS 475 N -2.19 1.01 -4.51 3.49 5.02 -0.41 -4.98 118.16 115.57 1xr2 n LYS 475 Ca 0.00 -1.34 -0.33 0.00 -2.02 0.00 0.00 58.31 54.62 1xr2 n LYS 475 Cb 0.12 -1.22 -0.12 0.00 -0.02 0.00 0.00 35.03 33.78 1xr2 n LYS 475 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xr2 s LEU 476 N -0.94 3.12 0.48 -0.35 1.43 -0.96 -4.51 118.68 116.95 1xr2 s LEU 476 Ca 0.15 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 52.87 1xr2 s LEU 476 Cb 0.10 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.51 1xr2 s LEU 476 CO 0.14 0.19 1.13 0.20 0.23 0.00 0.00 176.35 178.24 1xr2 s ASN 477 N 0.22 6.13 0.00 2.29 0.01 0.62 -2.96 114.94 121.26 1xr2 s ASN 477 Ca -0.04 2.21 0.00 0.00 -0.71 0.00 0.00 52.86 54.32 1xr2 s ASN 477 Cb -0.14 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1xr2 s ASN 477 CO 0.03 -0.94 0.00 0.61 -1.51 0.00 0.00 177.10 175.30 1xr2 n GLY 478 N 0.30 0.80 3.09 0.66 0.00 -1.23 -2.43 105.19 106.38 1xr2 n GLY 478 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1xr2 n GLY 478 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xr2 s ILE 479 N -2.42 1.72 0.22 -0.61 1.01 -1.15 -0.38 121.20 119.59 1xr2 s ILE 479 Ca 0.00 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1xr2 s ILE 479 Cb 0.00 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1xr2 s ILE 479 CO 0.00 0.48 0.03 0.00 0.00 0.00 0.00 174.94 175.46 1xr2 s ALA 480 N 1.07 3.26 -0.03 9.38 0.00 0.78 -4.81 121.76 131.41 1xr2 s ALA 480 Ca -0.03 -1.49 0.06 0.00 0.00 0.00 0.00 51.96 50.49 1xr2 s ALA 480 Cb -0.14 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1xr2 s ALA 480 CO -0.05 0.36 -0.19 0.95 0.00 0.00 0.00 175.76 176.83 1xr2 s THR 481 N -2.04 1.55 0.71 0.00 -4.23 -1.26 0.05 115.64 110.43 1xr2 s THR 481 Ca 0.30 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1xr2 s THR 481 Cb -0.08 -1.30 0.10 0.00 1.34 0.00 0.00 72.50 72.56 1xr2 s THR 481 CO 0.20 0.44 1.00 0.42 -0.54 0.00 0.00 174.62 176.14 1xr2 s THR 482 N -0.30 2.27 -0.25 3.99 -4.23 -1.26 -4.89 115.64 110.97 1xr2 s THR 482 Ca 0.04 -0.42 0.04 0.00 -1.18 0.00 0.00 61.69 60.17 1xr2 s THR 482 Cb -0.09 -2.85 -0.18 0.00 1.34 0.00 0.00 72.50 70.72 1xr2 s THR 482 CO 0.00 0.00 -0.19 0.00 -0.54 0.00 0.00 174.62 173.89 1xr2 n GLN 483 N -2.89 0.65 -0.17 3.99 6.02 -1.26 -4.66 117.38 119.06 1xr2 n GLN 483 Ca 0.11 0.13 0.06 0.00 -0.01 0.00 0.00 57.00 57.29 1xr2 n GLN 483 Cb 0.60 -1.51 0.08 0.00 1.02 0.00 0.00 30.24 30.44 1xr2 n GLN 483 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xr2 n ASN 484 N -3.18 1.62 -3.25 1.08 3.02 -1.26 -4.91 115.26 108.37 1xr2 n ASN 484 Ca -0.44 -2.62 -0.32 0.00 -0.03 0.00 0.00 54.58 51.17 1xr2 n ASN 484 Cb 1.00 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.83 1xr2 n ASN 484 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xr2 n GLY 485 N -0.92 3.79 3.73 7.41 0.00 -1.26 -4.77 105.19 113.17 1xr2 n GLY 485 Ca 0.10 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1xr2 n GLY 485 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xr2 s TRP 486 N 2.67 3.78 -0.05 1.61 0.52 -1.26 -4.03 118.94 122.19 1xr2 s TRP 486 Ca 0.57 1.69 0.03 0.00 0.02 0.00 0.00 56.10 58.42 1xr2 s TRP 486 Cb 0.15 -2.98 0.00 0.00 -1.15 0.00 0.00 33.47 29.49 1xr2 s TRP 486 CO -0.05 0.22 -0.14 0.08 0.02 0.00 0.00 176.95 177.08 1xr2 s VAL 487 N 0.01 1.21 0.12 4.03 1.01 0.18 -4.28 120.40 122.68 1xr2 s VAL 487 Ca 0.44 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 1xr2 s VAL 487 Cb -0.22 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 1xr2 s VAL 487 CO 0.27 0.36 1.48 -0.22 0.00 0.00 0.00 175.10 177.00 1xr2 s LEU 488 N 0.26 4.37 -0.26 3.92 1.98 -1.26 -0.45 118.68 127.23 1xr2 s LEU 488 Ca -0.07 2.44 -0.08 0.00 -2.89 0.00 0.00 54.13 53.52 1xr2 s LEU 488 Cb -0.12 -3.58 -0.15 0.00 0.66 0.00 0.00 46.19 42.99 1xr2 s LEU 488 CO 0.02 -0.75 -0.24 -1.20 -1.89 0.00 0.00 176.35 172.30 1xr2 n SER 489 N 4.23 1.97 0.00 3.68 7.64 -0.39 -4.60 113.62 126.14 1xr2 n SER 489 Ca 0.13 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1xr2 n SER 489 Cb 0.41 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1xr2 n SER 489 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xr2 n TYR 490 N -3.87 0.00 0.00 1.43 0.18 -1.16 -0.58 117.16 113.16 1xr2 n TYR 490 Ca -0.49 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.29 1xr2 n TYR 490 Cb 0.92 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.88 1xr2 n TYR 490 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xr2 n GLY 491 N -0.05 3.14 0.56 -7.48 0.00 -1.25 -0.85 105.19 99.25 1xr2 n GLY 491 Ca 0.00 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.36 1xr2 n GLY 491 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xr2 n SER 492 N 7.17 2.19 -4.72 1.61 3.41 -1.26 -4.90 113.62 117.12 1xr2 n SER 492 Ca 0.00 -1.59 -0.40 0.00 -0.26 0.00 0.00 58.87 56.62 1xr2 n SER 492 Cb 0.00 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 63.88 1xr2 n SER 492 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xr2 s ARG 493 N -1.12 4.45 0.21 4.33 1.81 -0.03 -4.81 118.95 123.79 1xr2 s ARG 493 Ca 0.17 0.94 0.10 0.00 -1.72 0.00 0.00 55.73 55.22 1xr2 s ARG 493 Cb 0.11 -3.43 -0.04 0.00 -0.45 0.00 0.00 34.95 31.14 1xr2 s ARG 493 CO 0.17 0.10 -0.21 0.00 -0.68 0.00 0.00 175.30 174.69 1xr2 s TYR 495 N -2.09 1.16 -0.53 0.00 5.04 0.40 -4.89 117.35 116.44 1xr2 s TYR 495 Ca 0.21 -0.50 -0.01 0.00 -2.44 0.00 0.00 57.07 54.33 1xr2 s TYR 495 Cb -0.06 -0.65 0.14 0.00 0.35 0.00 0.00 41.96 41.74 1xr2 s TYR 495 CO 0.10 0.05 0.32 1.03 -1.34 0.00 0.00 175.55 175.71 1xr2 s ARG 496 N -1.96 2.25 0.28 4.97 0.52 -1.26 0.49 118.95 124.25 1xr2 s ARG 496 Ca -0.01 -2.32 -0.30 0.00 -0.52 0.00 0.00 55.73 52.58 1xr2 s ARG 496 Cb -0.09 -3.59 -0.11 0.00 0.52 0.00 0.00 34.95 31.69 1xr2 s ARG 496 CO 0.02 -1.12 1.50 -1.25 0.02 0.00 0.00 175.30 174.47 1xr2 s PRO 497 N 0.26 4.19 1.12 3.54 0.04 -1.26 -4.90 135.00 138.01 1xr2 s PRO 497 Ca 0.14 2.44 -0.15 0.00 0.04 0.00 0.00 61.00 63.48 1xr2 s PRO 497 Cb -0.22 -3.06 0.25 0.00 0.04 0.00 0.00 34.50 31.52 1xr2 s PRO 497 CO -0.03 -0.51 1.06 -2.14 0.04 0.00 0.00 177.00 175.42 1xr2 s PRO 498 N -0.67 -0.58 -0.17 0.56 0.02 -1.26 -4.68 135.00 128.22 1xr2 s PRO 498 Ca 0.60 0.44 -0.00 0.00 0.02 0.00 0.00 61.00 62.05 1xr2 s PRO 498 Cb -0.45 -1.63 0.04 0.00 0.02 0.00 0.00 34.50 32.49 1xr2 s PRO 498 CO 0.48 -3.39 -0.05 0.42 -0.33 0.00 0.00 177.00 174.12 1xr2 s ILE 499 N -2.79 1.13 -0.78 2.83 1.01 0.11 -1.35 121.20 121.36 1xr2 s ILE 499 Ca 0.67 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 60.47 1xr2 s ILE 499 Cb -0.18 -1.31 0.10 0.00 0.01 0.00 0.00 42.46 41.08 1xr2 s ILE 499 CO 0.59 0.13 1.03 -0.63 0.00 0.00 0.00 174.94 176.06 1xr2 s ILE 500 N 1.62 4.52 -1.48 2.92 1.01 -0.21 -0.16 121.20 129.42 1xr2 s ILE 500 Ca 0.01 -0.95 0.24 0.00 0.00 0.00 0.00 60.65 59.95 1xr2 s ILE 500 Cb -0.15 -4.72 0.04 0.00 0.01 0.00 0.00 42.46 37.63 1xr2 s ILE 500 CO -0.08 -1.47 1.28 0.00 0.00 0.00 0.00 174.94 174.67 1xr2 n TYR 501 N 7.14 0.00 -2.80 3.97 4.11 0.49 -2.34 117.16 127.73 1xr2 n TYR 501 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.99 1xr2 n TYR 501 Cb 0.47 -0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.71 1xr2 n TYR 501 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xr2 n GLY 502 N 1.43 2.01 3.71 -7.48 0.00 -1.08 -4.77 105.19 99.01 1xr2 n GLY 502 Ca 0.08 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 1xr2 n GLY 502 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xr2 n THR 503 N 0.00 1.66 -4.05 2.61 -1.04 -0.94 -4.71 114.28 107.80 1xr2 n THR 503 Ca 0.00 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.05 61.25 1xr2 n THR 503 Cb 0.00 -1.64 -0.09 0.00 -1.82 0.00 0.00 70.33 66.78 1xr2 n THR 503 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1xr2 s VAL 504 N -0.74 4.83 0.14 12.58 1.01 -1.26 -3.53 120.40 133.43 1xr2 s VAL 504 Ca 0.59 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 1xr2 s VAL 504 Cb -0.57 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1xr2 s VAL 504 CO 0.58 0.52 0.34 0.42 0.00 0.00 0.00 175.10 176.96 1xr2 s THR 505 N -0.14 0.08 -0.28 3.92 -4.23 -1.02 -4.64 115.64 109.33 1xr2 s THR 505 Ca 0.07 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 1xr2 s THR 505 Cb -0.12 -1.52 0.07 0.00 1.34 0.00 0.00 72.50 72.27 1xr2 s THR 505 CO 0.01 -0.34 -0.05 0.00 -0.54 0.00 0.00 174.62 173.69 1xr2 s ARG 506 N -3.89 1.89 0.26 3.99 1.70 -1.26 -0.27 118.95 121.37 1xr2 s ARG 506 Ca 0.09 -1.40 -0.01 0.00 -0.47 0.00 0.00 55.73 53.94 1xr2 s ARG 506 Cb 0.02 -2.88 0.33 0.00 -0.57 0.00 0.00 34.95 31.85 1xr2 s ARG 506 CO -0.06 -0.68 1.72 -1.00 -1.08 0.00 0.00 175.30 174.20 1xr2 h PRO 507 N 7.78 0.68 -4.99 3.89 0.13 -1.98 -3.46 132.00 134.05 1xr2 h PRO 507 Ca -0.15 -0.23 -0.31 0.00 -0.87 0.00 0.00 66.00 64.45 1xr2 h PRO 507 Cb 1.04 -0.06 -0.15 0.00 0.13 0.00 0.00 31.00 31.97 1xr2 h PRO 507 CO 0.47 0.79 -0.71 -1.83 -0.23 0.00 0.00 178.00 176.48 1xr2 s GLU 508 N -4.73 1.00 0.31 0.86 4.04 -1.26 -5.11 118.70 113.81 1xr2 s GLU 508 Ca -0.09 -1.41 -0.29 0.00 0.04 0.00 0.00 54.97 53.23 1xr2 s GLU 508 Cb 0.14 -0.54 -0.13 0.00 0.02 0.00 0.00 34.13 33.62 1xr2 s GLU 508 CO 0.81 0.06 1.35 -2.30 -1.84 0.00 0.00 175.26 173.33 1xr2 n PRO 509 N -0.11 2.15 -0.08 -4.83 -0.02 -1.26 -4.92 135.00 125.93 1xr2 n PRO 509 Ca -0.11 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1xr2 n PRO 509 Cb 0.60 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 1xr2 n PRO 509 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1xr2 n MET 510 N 1.06 0.68 0.00 -0.52 2.81 -1.26 -4.72 117.12 115.17 1xr2 n MET 510 Ca 0.07 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1xr2 n MET 510 Cb 0.35 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1xr2 n MET 510 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1xr2 n THR 511 N -2.84 0.00 -0.08 2.03 -2.24 -1.26 -4.91 114.28 104.98 1xr2 n THR 511 Ca -0.30 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.12 1xr2 n THR 511 Cb 1.13 1.38 -0.00 0.00 -2.10 0.00 0.00 70.33 70.73 1xr2 n THR 511 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xr2 h LEU 512 N 0.00 -0.60 -0.52 3.22 3.38 -1.96 -2.52 115.31 116.31 1xr2 h LEU 512 Ca 0.00 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1xr2 h LEU 512 Cb 0.19 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1xr2 h LEU 512 CO 0.00 -0.21 0.16 0.07 0.09 0.00 0.00 178.44 178.54 1xr2 h LYS 513 N -0.14 0.30 -0.11 1.13 2.10 -1.94 0.20 116.57 118.12 1xr2 h LYS 513 Ca 0.17 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 58.60 1xr2 h LYS 513 Cb 0.39 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1xr2 h LYS 513 CO -0.41 0.20 -0.73 1.05 -2.00 0.00 0.00 179.45 177.56 1xr2 h GLU 514 N 0.31 0.55 -0.08 0.07 9.09 -1.93 -1.89 114.58 120.70 1xr2 h GLU 514 Ca 0.26 -0.44 -0.04 0.00 0.05 0.00 0.00 59.36 59.19 1xr2 h GLU 514 Cb 0.32 0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1xr2 h GLU 514 CO -0.30 1.07 -0.11 0.82 0.05 0.00 0.00 179.01 180.54 1xr2 h ILE 515 N 0.38 1.38 -0.62 -1.06 1.08 -1.08 -2.19 117.51 115.41 1xr2 h ILE 515 Ca -0.03 -1.32 -0.04 0.00 -0.39 0.00 0.00 64.86 63.07 1xr2 h ILE 515 Cb 1.32 2.07 -0.03 0.00 -3.07 0.00 0.00 36.82 37.11 1xr2 h ILE 515 CO 0.14 0.37 0.22 0.71 -0.69 0.00 0.00 178.15 178.89 1xr2 h THR 516 N -0.22 1.23 -0.76 -0.27 1.35 -0.69 -1.35 112.91 112.20 1xr2 h THR 516 Ca 0.01 -0.75 -0.04 0.00 -0.55 0.00 0.00 66.41 65.08 1xr2 h THR 516 Cb 0.65 0.52 -0.03 0.00 -1.73 0.00 0.00 68.15 67.56 1xr2 h THR 516 CO 0.03 0.29 0.30 0.22 -0.25 0.00 0.00 175.52 176.11 1xr2 h TYR 517 N 0.90 1.14 -0.39 4.73 3.20 -1.29 -2.09 116.97 123.18 1xr2 h TYR 517 Ca 0.21 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 1xr2 h TYR 517 Cb 0.22 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1xr2 h TYR 517 CO 0.02 0.87 -0.27 0.00 -1.64 0.00 0.00 178.16 177.13 1xr2 h ALA 518 N 1.23 0.55 0.00 1.82 0.00 -0.88 -3.02 119.26 118.96 1xr2 h ALA 518 Ca 0.25 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1xr2 h ALA 518 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xr2 h ALA 518 CO -0.02 0.57 -0.15 0.37 0.00 0.00 0.00 179.25 180.02 1xr2 h GLN 519 N 0.67 0.00 0.00 0.00 5.75 -1.01 -2.26 115.11 118.26 1xr2 h GLN 519 Ca 0.08 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 1xr2 h GLN 519 Cb 0.84 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.38 1xr2 h GLN 519 CO 0.07 0.15 -0.41 0.66 -2.65 0.00 0.00 178.83 176.65 1xr2 h SER 520 N 0.00 0.00 -0.01 -0.69 4.64 -1.25 -3.12 113.55 113.12 1xr2 h SER 520 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xr2 h SER 520 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1xr2 h SER 520 CO 0.02 0.41 0.00 0.18 -0.87 0.00 0.00 176.83 176.57 1xr2 n LEU 521 N -3.51 0.17 -3.48 5.97 4.77 -0.85 -4.90 117.00 115.17 1xr2 n LEU 521 Ca -0.00 -0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.80 1xr2 n LEU 521 Cb 0.55 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1xr2 n LEU 521 CO 0.38 0.03 0.45 0.28 -1.33 0.00 0.00 177.39 177.19 1xr2 s THR 522 N -1.99 0.00 -0.54 -5.08 -1.32 -1.18 -4.96 115.64 100.57 1xr2 s THR 522 Ca 0.34 -0.12 0.23 0.00 -1.21 0.00 0.00 61.69 60.93 1xr2 s THR 522 Cb 0.16 -1.12 -0.09 0.00 -1.51 0.00 0.00 72.50 69.94 1xr2 s THR 522 CO 0.26 0.00 1.04 -1.84 -2.21 0.00 0.00 174.62 171.88 1xr2 n GLU 523 N -0.37 0.34 -2.06 7.08 0.00 -1.26 -4.88 120.64 119.49 1xr2 n GLU 523 Ca -0.15 0.01 -0.34 0.00 0.00 0.00 0.00 57.16 56.69 1xr2 n GLU 523 Cb 0.64 -1.63 0.02 0.00 0.00 0.00 0.00 31.44 30.47 1xr2 n GLU 523 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xr2 s LYS 524 N -3.23 3.20 0.19 3.44 -0.14 -1.26 -4.98 119.74 116.96 1xr2 s LYS 524 Ca 0.03 1.41 -0.30 0.00 -1.36 0.00 0.00 55.97 55.75 1xr2 s LYS 524 Cb 0.14 -2.00 -0.08 0.00 -1.68 0.00 0.00 37.83 34.21 1xr2 s LYS 524 CO 0.79 -0.94 1.08 -1.25 -0.76 0.00 0.00 175.35 174.28 1xr2 s PRO 525 N -3.74 4.62 -0.13 -1.68 0.04 -1.26 -4.88 135.00 127.97 1xr2 s PRO 525 Ca 0.68 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 63.39 1xr2 s PRO 525 Cb -0.20 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 1xr2 s PRO 525 CO 0.34 0.13 -0.02 0.08 0.04 0.00 0.00 177.00 177.56 1xr2 s VAL 526 N -0.39 4.10 0.33 -0.36 1.01 -1.26 -0.94 120.40 122.88 1xr2 s VAL 526 Ca 0.48 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 1xr2 s VAL 526 Cb -0.29 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 1xr2 s VAL 526 CO 0.35 0.54 1.04 -0.54 0.00 0.00 0.00 175.10 176.49 1xr2 s LYS 527 N -0.17 4.45 0.32 2.72 1.02 0.35 -4.47 119.74 123.96 1xr2 s LYS 527 Ca 0.04 1.59 -0.19 0.00 0.02 0.00 0.00 55.97 57.42 1xr2 s LYS 527 Cb -0.13 -2.87 -0.09 0.00 -0.52 0.00 0.00 37.83 34.22 1xr2 s LYS 527 CO 0.02 0.10 0.81 0.20 -0.92 0.00 0.00 175.35 175.56 1xr2 s GLY 528 N -1.30 2.50 -0.28 -3.33 0.00 0.52 -4.68 107.32 100.75 1xr2 s GLY 528 Ca 0.51 0.24 0.01 0.00 0.00 0.00 0.00 44.72 45.47 1xr2 s GLY 528 CO 0.32 0.54 0.02 -0.29 0.00 0.00 0.00 173.10 173.70 1xr2 s MET 529 N -2.59 1.27 0.34 2.90 1.75 -1.26 -0.89 119.30 120.81 1xr2 s MET 529 Ca 0.52 -1.24 0.07 0.00 -1.25 0.00 0.00 55.69 53.79 1xr2 s MET 529 Cb -0.13 -2.55 -0.07 0.00 2.84 0.00 0.00 34.83 34.92 1xr2 s MET 529 CO 0.18 -0.81 -0.02 -0.51 -0.65 0.00 0.00 175.02 173.21 1xr2 s LEU 530 N 1.35 2.56 -0.12 4.11 1.43 0.76 -5.00 118.68 123.77 1xr2 s LEU 530 Ca 0.04 -1.28 -0.00 0.00 -1.03 0.00 0.00 54.13 51.85 1xr2 s LEU 530 Cb -0.18 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 1xr2 s LEU 530 CO -0.13 -0.41 -0.11 -0.89 0.23 0.00 0.00 176.35 175.05 1xr2 s THR 531 N -2.93 3.26 0.90 5.49 2.01 -1.26 -0.67 115.64 122.45 1xr2 s THR 531 Ca 0.33 -0.60 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 1xr2 s THR 531 Cb 0.06 -2.36 0.14 0.00 0.01 0.00 0.00 72.50 70.35 1xr2 s THR 531 CO 0.15 0.54 1.13 -0.83 -0.69 0.00 0.00 174.62 174.92 1xr2 s GLY 532 N 0.08 1.68 0.13 4.40 0.00 0.20 -4.81 107.32 109.00 1xr2 s GLY 532 Ca -0.04 0.51 -0.16 0.00 0.00 0.00 0.00 44.72 45.02 1xr2 s GLY 532 CO 0.04 0.93 1.67 -0.56 0.00 0.00 0.00 173.10 175.18 1xr2 h PRO 533 N -1.79 0.60 -0.24 2.90 0.13 -1.88 -2.21 132.00 129.50 1xr2 h PRO 533 Ca -0.44 -0.11 -0.06 0.00 -0.87 0.00 0.00 66.00 64.52 1xr2 h PRO 533 Cb 1.27 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1xr2 h PRO 533 CO 0.43 0.57 -0.13 0.28 -0.23 0.00 0.00 178.00 178.92 1xr2 h VAL 534 N 0.49 1.21 -0.09 1.56 2.07 -1.93 -2.12 116.25 117.44 1xr2 h VAL 534 Ca 0.13 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1xr2 h VAL 534 Cb 0.20 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1xr2 h VAL 534 CO -0.01 0.30 -0.10 0.74 0.02 0.00 0.00 177.57 178.53 1xr2 h THR 535 N 0.37 1.36 -0.74 2.57 2.02 -1.86 0.10 112.91 116.74 1xr2 h THR 535 Ca 0.07 -1.26 0.09 0.00 0.77 0.00 0.00 66.41 66.08 1xr2 h THR 535 Cb 0.45 1.99 -0.07 0.00 -1.74 0.00 0.00 68.15 68.78 1xr2 h THR 535 CO 0.03 0.36 0.39 0.40 0.37 0.00 0.00 175.52 177.06 1xr2 h ILE 536 N -0.18 0.87 0.00 3.11 2.04 -1.18 -1.73 117.51 120.44 1xr2 h ILE 536 Ca 0.01 -0.23 -0.19 0.00 1.00 0.00 0.00 64.86 65.46 1xr2 h ILE 536 Cb 0.62 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1xr2 h ILE 536 CO 0.02 0.12 -0.89 0.00 0.00 0.00 0.00 178.15 177.40 1xr2 h MET 537 N 0.66 0.00 0.00 2.37 -0.00 -1.37 -3.28 114.93 113.30 1xr2 h MET 537 Ca 0.36 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.97 1xr2 h MET 537 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.94 1xr2 h MET 537 CO -0.26 0.89 -0.41 1.03 -0.00 0.00 0.00 176.91 178.17 1xr2 h SER 538 N 0.00 0.00 -0.06 -0.10 0.87 -0.10 -2.72 113.55 111.44 1xr2 h SER 538 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1xr2 h SER 538 Cb 1.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 1xr2 h SER 538 CO 0.12 0.41 0.00 0.79 -0.53 0.00 0.00 176.83 177.62 1xr2 n TRP 539 N -4.02 0.05 -4.55 2.24 7.02 -0.71 -4.93 117.44 112.54 1xr2 n TRP 539 Ca -0.02 -0.03 -0.25 0.00 -1.02 0.00 0.00 57.50 56.18 1xr2 n TRP 539 Cb 0.44 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.22 1xr2 n TRP 539 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1xr2 s SER 540 N -1.91 3.39 0.43 -0.99 0.01 -1.03 -4.25 113.70 109.35 1xr2 s SER 540 Ca 0.35 -1.32 -0.06 0.00 1.31 0.00 0.00 55.95 56.23 1xr2 s SER 540 Cb 0.20 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 1xr2 s SER 540 CO 0.32 -0.43 0.74 -0.31 0.41 0.00 0.00 173.24 173.96 1xr2 s TYR 541 N -2.86 3.52 0.15 2.43 2.02 -0.46 -4.94 117.35 117.21 1xr2 s TYR 541 Ca 0.34 0.83 -0.18 0.00 -0.37 0.00 0.00 57.07 57.69 1xr2 s TYR 541 Cb 0.08 -2.29 0.04 0.00 -0.40 0.00 0.00 41.96 39.39 1xr2 s TYR 541 CO 0.16 -0.15 0.47 1.52 -1.57 0.00 0.00 175.55 175.99 1xr2 s TYR 542 N -2.52 -0.28 0.41 2.71 -0.85 -1.26 -1.04 117.35 114.51 1xr2 s TYR 542 Ca 0.48 -0.01 -0.26 0.00 -0.52 0.00 0.00 57.07 56.75 1xr2 s TYR 542 Cb -0.10 0.36 -0.10 0.00 0.38 0.00 0.00 41.96 42.50 1xr2 s TYR 542 CO 0.38 -0.77 1.35 0.54 -1.52 0.00 0.00 175.55 175.53 1xr2 n ARG 543 N -0.28 2.15 0.00 -3.49 5.12 -0.99 -4.94 116.66 114.23 1xr2 n ARG 543 Ca -0.15 0.76 0.09 0.00 -1.93 0.00 0.00 57.85 56.62 1xr2 n ARG 543 Cb 0.64 -2.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.46 1xr2 n ARG 543 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1xr2 n GLU 544 N 0.11 1.52 -0.02 5.56 1.02 -1.26 -4.41 120.64 123.16 1xr2 n GLU 544 Ca 0.05 -0.94 0.08 0.00 -0.02 0.00 0.00 57.16 56.33 1xr2 n GLU 544 Cb 0.39 -1.35 0.42 0.00 -0.02 0.00 0.00 31.44 30.88 1xr2 n GLU 544 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1xr2 n ASP 545 N 0.01 0.42 -3.97 1.62 5.68 -1.26 -4.80 116.55 114.25 1xr2 n ASP 545 Ca 0.08 -1.58 -0.09 0.00 -0.50 0.00 0.00 54.79 52.69 1xr2 n ASP 545 Cb 0.40 -0.03 -0.11 0.00 -1.14 0.00 0.00 41.12 40.24 1xr2 n ASP 545 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1xr2 s ILE 546 N -1.94 0.11 0.36 2.12 -4.36 -1.26 -5.13 121.20 111.10 1xr2 s ILE 546 Ca 0.25 -0.90 -0.28 0.00 -0.26 0.00 0.00 60.65 59.45 1xr2 s ILE 546 Cb 0.12 -0.27 -0.11 0.00 1.25 0.00 0.00 42.46 43.45 1xr2 s ILE 546 CO 0.19 -0.49 1.51 -0.81 0.24 0.00 0.00 174.94 175.58 1xr2 n PRO 547 N 1.59 2.68 -0.23 0.37 -0.04 -1.26 -4.90 135.00 133.21 1xr2 n PRO 547 Ca -0.24 0.94 0.04 0.00 -0.04 0.00 0.00 63.50 64.20 1xr2 n PRO 547 Cb 0.55 -2.68 0.15 0.00 -0.04 0.00 0.00 33.50 31.48 1xr2 n PRO 547 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xr2 h GLU 548 N 3.32 0.18 -0.08 0.54 5.08 -1.96 0.31 114.58 121.97 1xr2 h GLU 548 Ca -0.50 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1xr2 h GLU 548 Cb 1.24 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1xr2 h GLU 548 CO 0.67 0.12 0.07 0.07 -1.00 0.00 0.00 179.01 178.94 1xr2 h ARG 549 N 0.18 0.00 -0.19 2.33 0.11 -1.96 -0.38 114.38 114.47 1xr2 h ARG 549 Ca 0.38 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.31 1xr2 h ARG 549 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1xr2 h ARG 549 CO -0.54 0.00 -0.47 1.49 0.10 0.00 0.00 179.97 180.55 1xr2 h GLU 550 N 0.00 0.66 -0.31 0.08 4.81 -1.29 0.36 114.58 118.88 1xr2 h GLU 550 Ca 0.04 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1xr2 h GLU 550 Cb 0.18 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1xr2 h GLU 550 CO -0.00 1.07 0.14 0.82 -0.73 0.00 0.00 179.01 180.31 1xr2 h ILE 551 N 0.35 1.17 -0.74 2.32 2.04 -1.06 -1.21 117.51 120.37 1xr2 h ILE 551 Ca -0.00 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.40 1xr2 h ILE 551 Cb 1.08 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1xr2 h ILE 551 CO 0.10 0.18 0.44 0.00 0.00 0.00 0.00 178.15 178.88 1xr2 h ALA 552 N 0.99 1.00 -0.15 1.87 0.00 -1.04 -1.68 119.26 120.26 1xr2 h ALA 552 Ca 0.11 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1xr2 h ALA 552 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xr2 h ALA 552 CO -0.01 0.17 -0.44 1.88 0.00 0.00 0.00 179.25 180.85 1xr2 h TYR 553 N 0.83 0.42 -0.27 0.00 0.05 -0.62 -0.17 116.97 117.22 1xr2 h TYR 553 Ca 0.32 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 1xr2 h TYR 553 Cb 0.14 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1xr2 h TYR 553 CO -0.05 0.74 0.14 1.96 -1.05 0.00 0.00 178.16 179.89 1xr2 h GLN 554 N 0.29 0.37 -0.55 4.88 4.20 -0.49 0.48 115.11 124.29 1xr2 h GLN 554 Ca 0.02 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1xr2 h GLN 554 Cb 0.89 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1xr2 h GLN 554 CO 0.07 0.34 0.11 0.82 -0.67 0.00 0.00 178.83 179.51 1xr2 h ILE 555 N 0.31 1.25 -0.65 2.54 2.04 -1.23 -2.50 117.51 119.28 1xr2 h ILE 555 Ca 0.09 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.06 1xr2 h ILE 555 Cb 0.08 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1xr2 h ILE 555 CO -0.01 0.34 0.39 0.00 0.00 0.00 0.00 178.15 178.86 1xr2 h ALA 556 N 1.00 0.84 -0.83 1.87 0.00 -0.64 -0.07 119.26 121.44 1xr2 h ALA 556 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xr2 h ALA 556 Cb 0.38 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1xr2 h ALA 556 CO 0.01 0.13 0.45 1.25 0.00 0.00 0.00 179.25 181.09 1xr2 h LEU 557 N 0.76 1.05 -0.72 0.00 7.12 -0.70 -0.14 115.31 122.68 1xr2 h LEU 557 Ca 0.27 -0.10 -0.05 0.00 0.13 0.00 0.00 57.88 58.12 1xr2 h LEU 557 Cb 0.05 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 39.88 1xr2 h LEU 557 CO -0.12 0.85 0.25 0.00 -0.13 0.00 0.00 178.44 179.29 1xr2 h ALA 558 N 1.24 0.93 -0.40 1.25 0.00 -0.89 -1.93 119.26 119.47 1xr2 h ALA 558 Ca 0.29 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1xr2 h ALA 558 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xr2 h ALA 558 CO -0.05 0.59 -0.24 0.82 0.00 0.00 0.00 179.25 180.37 1xr2 h ILE 559 N 1.04 1.27 -0.16 0.00 2.04 -0.60 -2.80 117.51 118.31 1xr2 h ILE 559 Ca 0.23 -1.37 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 1xr2 h ILE 559 Cb 0.26 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1xr2 h ILE 559 CO -0.01 0.46 -0.24 -1.13 0.00 0.00 0.00 178.15 177.23 1xr2 h ASN 560 N 0.70 0.29 -0.25 1.72 -0.73 -0.68 -0.15 115.58 116.47 1xr2 h ASN 560 Ca 0.09 -0.08 -0.07 0.00 1.87 0.00 0.00 56.30 58.11 1xr2 h ASN 560 Cb 0.77 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.26 1xr2 h ASN 560 CO 0.06 0.54 -0.05 -0.33 -0.37 0.00 0.00 177.43 177.28 1xr2 h GLU 561 N 0.26 0.60 -0.42 6.67 5.08 -1.15 0.16 114.58 125.79 1xr2 h GLU 561 Ca 0.04 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1xr2 h GLU 561 Cb 0.57 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1xr2 h GLU 561 CO 0.04 0.66 -0.11 1.49 -1.00 0.00 0.00 179.01 180.09 1xr2 h GLU 562 N 0.56 0.81 -0.76 2.33 4.57 -1.10 -1.87 114.58 119.13 1xr2 h GLU 562 Ca 0.11 -0.31 0.02 0.00 -1.18 0.00 0.00 59.36 58.00 1xr2 h GLU 562 Cb 0.43 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 1xr2 h GLU 562 CO 0.02 0.93 0.49 0.28 -1.18 0.00 0.00 179.01 179.56 1xr2 h VAL 563 N 0.63 1.15 -0.43 0.32 2.07 -0.24 -1.38 116.25 118.37 1xr2 h VAL 563 Ca 0.10 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1xr2 h VAL 563 Cb 0.64 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1xr2 h VAL 563 CO 0.04 0.18 0.07 0.11 0.02 0.00 0.00 177.57 177.99 1xr2 h LYS 564 N 0.98 0.71 -0.49 1.57 1.57 -0.48 -1.67 116.57 118.76 1xr2 h LYS 564 Ca 0.29 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1xr2 h LYS 564 Cb -0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1xr2 h LYS 564 CO -0.09 0.75 0.26 -0.44 -0.57 0.00 0.00 179.45 179.36 1xr2 h ASP 565 N 0.57 0.61 -0.61 0.86 3.32 -1.02 -0.10 116.42 120.06 1xr2 h ASP 565 Ca 0.13 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1xr2 h ASP 565 Cb 0.38 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1xr2 h ASP 565 CO 0.01 0.50 0.19 -0.07 -1.72 0.00 0.00 179.24 178.15 1xr2 h LEU 566 N 0.69 0.88 -0.25 1.55 3.38 -0.75 -0.63 115.31 120.17 1xr2 h LEU 566 Ca 0.18 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1xr2 h LEU 566 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1xr2 h LEU 566 CO -0.03 0.85 -0.02 -0.33 0.09 0.00 0.00 178.44 179.01 1xr2 h GLU 567 N 0.86 0.46 -0.77 1.13 5.08 -0.60 -0.58 114.58 120.15 1xr2 h GLU 567 Ca 0.20 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1xr2 h GLU 567 Cb 0.29 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1xr2 h GLU 567 CO -0.01 0.65 0.51 0.93 -1.00 0.00 0.00 179.01 180.09 1xr2 h GLU 568 N 0.23 0.69 0.00 2.33 5.08 -0.80 0.97 114.58 123.08 1xr2 h GLU 568 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xr2 h GLU 568 Cb 0.45 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xr2 h GLU 568 CO 0.02 0.46 0.00 0.00 -1.00 0.00 0.00 179.01 178.48 1xr2 n ALA 569 N -2.45 2.44 -0.34 3.43 0.00 -0.27 -4.90 120.51 118.43 1xr2 n ALA 569 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xr2 n ALA 569 Cb 0.32 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1xr2 n ALA 569 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xr2 n GLY 570 N 0.89 0.80 3.71 0.00 0.00 0.34 -5.03 105.19 105.90 1xr2 n GLY 570 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xr2 n GLY 570 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xr2 s ILE 571 N -2.14 3.90 -0.18 -0.61 1.09 -0.26 -4.91 121.20 118.10 1xr2 s ILE 571 Ca 0.00 1.35 0.22 0.00 -1.10 0.00 0.00 60.65 61.12 1xr2 s ILE 571 Cb 0.00 -3.86 -0.10 0.00 -1.06 0.00 0.00 42.46 37.44 1xr2 s ILE 571 CO 0.00 0.09 0.88 2.29 -0.10 0.00 0.00 174.94 178.10 1xr2 n LYS 572 N 4.18 0.62 -4.37 2.79 0.00 -1.26 -4.40 118.16 115.71 1xr2 n LYS 572 Ca 0.10 0.04 -0.22 0.00 -0.00 0.00 0.00 58.31 58.22 1xr2 n LYS 572 Cb 0.45 -1.74 -0.16 0.00 -0.00 0.00 0.00 35.03 33.58 1xr2 n LYS 572 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1xr2 s ILE 573 N -3.40 0.84 -0.10 0.58 1.01 -1.26 -1.54 121.20 117.34 1xr2 s ILE 573 Ca -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1xr2 s ILE 573 Cb 0.11 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1xr2 s ILE 573 CO 0.82 0.29 -0.14 -0.69 0.00 0.00 0.00 174.94 175.22 1xr2 s VAL 574 N 0.79 1.37 -0.12 2.92 1.01 -0.29 -0.35 120.40 125.73 1xr2 s VAL 574 Ca -0.13 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1xr2 s VAL 574 Cb -0.15 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1xr2 s VAL 574 CO 0.02 0.41 0.09 -1.58 0.00 0.00 0.00 175.10 174.04 1xr2 s GLN 575 N 0.92 3.40 -0.19 2.72 0.74 -0.07 -1.28 119.66 125.90 1xr2 s GLN 575 Ca -0.09 -0.25 -0.00 0.00 0.05 0.00 0.00 55.36 55.08 1xr2 s GLN 575 Cb -0.15 -3.08 0.05 0.00 1.10 0.00 0.00 33.01 30.93 1xr2 s GLN 575 CO 0.00 0.67 -0.06 0.42 -0.55 0.00 0.00 175.29 175.77 1xr2 s ILE 576 N -0.75 1.28 -0.21 -2.34 1.01 0.20 -0.17 121.20 120.23 1xr2 s ILE 576 Ca 0.13 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 1xr2 s ILE 576 Cb -0.12 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1xr2 s ILE 576 CO 0.03 0.06 0.67 -1.81 0.00 0.00 0.00 174.94 173.89 1xr2 s ASP 577 N 1.54 6.70 -0.51 3.58 1.01 0.16 -3.31 116.67 125.83 1xr2 s ASP 577 Ca -0.01 0.86 0.07 0.00 0.71 0.00 0.00 52.55 54.18 1xr2 s ASP 577 Cb -0.16 -2.37 0.31 0.00 1.01 0.00 0.00 42.92 41.71 1xr2 s ASP 577 CO -0.07 -0.33 0.79 1.21 0.21 0.00 0.00 175.17 176.98 1xr2 n GLU 578 N 5.32 2.18 0.21 8.23 4.07 -1.22 0.60 120.64 140.03 1xr2 n GLU 578 Ca 0.00 -4.23 0.09 0.00 -0.06 0.00 0.00 57.16 52.96 1xr2 n GLU 578 Cb 0.49 -1.97 0.63 0.00 -0.06 0.00 0.00 31.44 30.53 1xr2 n GLU 578 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1xr2 h PRO 579 N 3.37 0.04 0.00 5.31 0.13 -1.95 -1.91 132.00 137.00 1xr2 h PRO 579 Ca 0.13 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1xr2 h PRO 579 Cb 0.70 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1xr2 h PRO 579 CO 0.70 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 1xr2 n ALA 580 N -2.55 1.71 -0.26 -0.56 0.00 -1.26 -3.31 120.51 114.28 1xr2 n ALA 580 Ca -0.01 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1xr2 n ALA 580 Cb 0.15 -1.24 0.18 0.00 0.00 0.00 0.00 19.45 18.54 1xr2 n ALA 580 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xr2 h PHE 581 N 0.00 0.05 0.01 0.00 3.57 -1.70 0.26 116.94 119.13 1xr2 h PHE 581 Ca 0.00 0.05 -0.39 0.00 3.53 0.00 0.00 57.97 61.17 1xr2 h PHE 581 Cb 0.24 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 1xr2 h PHE 581 CO 0.00 -0.21 -2.42 -2.13 -2.23 0.00 0.00 178.31 171.32 1xr2 n ARG 582 N -5.30 0.66 0.28 1.11 3.00 -1.24 -4.33 116.66 110.85 1xr2 n ARG 582 Ca 0.15 0.16 0.12 0.00 -0.00 0.00 0.00 57.85 58.27 1xr2 n ARG 582 Cb 0.50 -1.54 0.79 0.00 0.00 0.00 0.00 32.46 32.21 1xr2 n ARG 582 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1xr2 h GLU 583 N 0.01 0.00 -0.02 -0.14 5.08 -1.49 -1.54 114.58 116.48 1xr2 h GLU 583 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1xr2 h GLU 583 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1xr2 h GLU 583 CO -0.06 0.01 -0.01 1.17 -1.00 0.00 0.00 179.01 179.12 1xr2 n LYS 584 N -4.13 1.86 -2.07 2.33 3.00 0.89 -4.80 118.16 115.23 1xr2 n LYS 584 Ca -0.03 -1.26 -0.36 0.00 -0.00 0.00 0.00 58.31 56.66 1xr2 n LYS 584 Cb 0.09 -1.47 0.02 0.00 0.00 0.00 0.00 35.03 33.67 1xr2 n LYS 584 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xr2 s ALA 585 N -2.01 2.66 0.69 3.14 0.00 -0.58 -4.96 121.76 120.70 1xr2 s ALA 585 Ca 0.35 1.00 -0.17 0.00 0.00 0.00 0.00 51.96 53.14 1xr2 s ALA 585 Cb 0.21 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.89 1xr2 s ALA 585 CO 0.33 -1.04 1.15 -2.30 0.00 0.00 0.00 175.76 173.90 1xr2 n PRO 586 N -1.32 0.77 -0.22 0.00 -0.02 -1.26 -4.86 135.00 128.09 1xr2 n PRO 586 Ca 0.12 0.32 0.01 0.00 -2.02 0.00 0.00 63.50 61.93 1xr2 n PRO 586 Cb 0.49 -2.39 0.25 0.00 -0.02 0.00 0.00 33.50 31.83 1xr2 n PRO 586 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1xr2 h ILE 587 N 0.07 1.18 -3.40 4.25 2.04 -1.93 -3.38 117.51 116.34 1xr2 h ILE 587 Ca -0.49 -0.35 -0.59 0.00 1.00 0.00 0.00 64.86 64.43 1xr2 h ILE 587 Cb 1.33 0.09 -0.09 0.00 -0.74 0.00 0.00 36.82 37.41 1xr2 h ILE 587 CO 0.50 0.18 0.61 -0.54 0.00 0.00 0.00 178.15 178.91 1xr2 s LYS 588 N -5.85 3.96 0.55 2.37 1.02 -1.26 -4.69 119.74 115.85 1xr2 s LYS 588 Ca -0.11 0.76 0.36 0.00 0.02 0.00 0.00 55.97 57.00 1xr2 s LYS 588 Cb 0.18 -3.75 1.69 0.00 -0.52 0.00 0.00 37.83 35.43 1xr2 s LYS 588 CO 0.78 -0.83 2.08 0.87 -0.92 0.00 0.00 175.35 177.32 1xr2 h LYS 589 N 8.21 0.00 0.00 1.68 1.57 -1.98 -1.16 116.57 124.89 1xr2 h LYS 589 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1xr2 h LYS 589 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1xr2 h LYS 589 CO 0.96 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.71 1xr2 n SER 590 N -2.96 0.59 -0.98 0.86 3.41 -1.26 -1.80 113.62 111.47 1xr2 n SER 590 Ca -0.01 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 1xr2 n SER 590 Cb 0.20 -0.78 0.16 0.00 -0.26 0.00 0.00 64.21 63.53 1xr2 n SER 590 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xr2 n LYS 591 N -2.17 2.24 -0.18 4.33 5.02 -0.44 -4.56 118.16 122.40 1xr2 n LYS 591 Ca 0.02 -2.05 -0.02 0.00 -2.02 0.00 0.00 58.31 54.24 1xr2 n LYS 591 Cb 0.19 -1.44 0.19 0.00 -0.02 0.00 0.00 35.03 33.95 1xr2 n LYS 591 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1xr2 h TRP 592 N 4.03 0.94 -0.48 2.13 4.06 -1.44 -3.05 115.95 122.15 1xr2 h TRP 592 Ca 0.00 -0.05 0.10 0.00 2.06 0.00 0.00 58.89 61.00 1xr2 h TRP 592 Cb 0.90 -0.29 -0.09 0.00 -1.00 0.00 0.00 29.16 28.68 1xr2 h TRP 592 CO 0.16 0.71 -0.09 -1.35 -3.56 0.00 0.00 178.44 174.31 1xr2 h PRO 593 N 0.93 0.02 -0.32 0.49 0.11 -1.80 0.87 132.00 132.31 1xr2 h PRO 593 Ca 0.22 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.27 1xr2 h PRO 593 Cb 0.15 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1xr2 h PRO 593 CO -0.02 0.02 -0.04 0.93 -0.21 0.00 0.00 178.00 178.67 1xr2 h GLU 594 N 0.03 0.59 0.87 1.05 3.07 -1.90 -2.59 114.58 115.70 1xr2 h GLU 594 Ca 0.23 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1xr2 h GLU 594 Cb 0.36 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1xr2 h GLU 594 CO -0.47 0.75 -0.47 -0.92 -1.40 0.00 0.00 179.01 176.50 1xr2 h TYR 595 N 0.37 -1.24 -0.04 4.33 3.20 -1.32 -2.65 116.97 119.63 1xr2 h TYR 595 Ca 0.08 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1xr2 h TYR 595 Cb 0.51 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 1xr2 h TYR 595 CO 0.04 -0.73 0.12 0.74 -1.64 0.00 0.00 178.16 176.69 1xr2 h PHE 596 N -1.24 0.00 -0.55 -3.82 -1.00 -0.91 -1.60 116.94 107.82 1xr2 h PHE 596 Ca -0.12 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 1xr2 h PHE 596 Cb 0.97 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.50 1xr2 h PHE 596 CO -0.04 0.00 0.30 0.93 -1.61 0.00 0.00 178.31 177.89 1xr2 h GLU 597 N 0.00 0.77 0.00 1.51 5.08 -1.08 -1.38 114.58 119.48 1xr2 h GLU 597 Ca 0.02 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1xr2 h GLU 597 Cb 0.26 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1xr2 h GLU 597 CO -0.00 0.59 -1.34 -2.67 -1.00 0.00 0.00 179.01 174.59 1xr2 n TRP 598 N -4.61 0.83 -0.17 4.33 4.27 -0.68 -2.86 117.44 118.55 1xr2 n TRP 598 Ca 0.03 0.26 -0.11 0.00 -3.89 0.00 0.00 57.50 53.79 1xr2 n TRP 598 Cb 0.09 -0.97 0.00 0.00 -1.36 0.00 0.00 31.31 29.07 1xr2 n TRP 598 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xr2 h ALA 599 N 1.72 0.69 0.50 -1.67 0.00 -1.30 0.28 119.26 119.48 1xr2 h ALA 599 Ca -0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1xr2 h ALA 599 Cb 1.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xr2 h ALA 599 CO 0.02 0.61 -0.24 0.82 0.00 0.00 0.00 179.25 180.46 1xr2 h ILE 600 N 0.83 0.47 -0.61 0.00 2.04 -1.37 -1.23 117.51 117.63 1xr2 h ILE 600 Ca 0.12 -0.24 0.10 0.00 1.00 0.00 0.00 64.86 65.85 1xr2 h ILE 600 Cb 0.70 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.27 1xr2 h ILE 600 CO 0.05 0.04 0.20 0.78 0.00 0.00 0.00 178.15 179.22 1xr2 h ASN 601 N -0.83 0.16 -0.34 1.72 -0.26 -1.42 -0.34 115.58 114.27 1xr2 h ASN 601 Ca -0.07 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1xr2 h ASN 601 Cb 0.58 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.91 1xr2 h ASN 601 CO 0.11 0.09 0.22 0.00 -1.06 0.00 0.00 177.43 176.80 1xr2 h ALA 602 N 1.44 0.44 -0.26 -0.83 0.00 -0.32 0.51 119.26 120.24 1xr2 h ALA 602 Ca 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xr2 h ALA 602 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xr2 h ALA 602 CO -0.34 -0.09 0.16 0.35 0.00 0.00 0.00 179.25 179.33 1xr2 h PHE 603 N 0.46 0.34 -0.09 0.00 3.57 -0.52 -2.12 116.94 118.58 1xr2 h PHE 603 Ca 0.12 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1xr2 h PHE 603 Cb -0.03 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1xr2 h PHE 603 CO -0.05 0.25 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.23 1xr2 h ASN 604 N 0.32 0.13 -0.17 0.41 2.35 -0.82 0.11 115.58 117.92 1xr2 h ASN 604 Ca 0.09 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1xr2 h ASN 604 Cb 0.01 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1xr2 h ASN 604 CO -0.02 0.30 0.01 0.25 -1.65 0.00 0.00 177.43 176.32 1xr2 h LEU 605 N 0.13 0.28 -1.17 1.61 5.85 -0.53 0.42 115.31 121.90 1xr2 h LEU 605 Ca 0.03 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1xr2 h LEU 605 Cb 0.35 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1xr2 h LEU 605 CO 0.02 0.51 0.08 0.00 -0.34 0.00 0.00 178.44 178.71 1xr2 h ALA 606 N 0.78 1.33 -0.51 1.25 0.00 -0.80 -2.80 119.26 118.51 1xr2 h ALA 606 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xr2 h ALA 606 Cb 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xr2 h ALA 606 CO 0.01 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1xr2 n ALA 607 N -2.47 2.63 -1.88 0.00 0.00 0.34 -4.00 120.51 115.13 1xr2 n ALA 607 Ca 0.03 -1.01 -0.31 0.00 0.00 0.00 0.00 53.44 52.15 1xr2 n ALA 607 Cb 0.22 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 1xr2 n ALA 607 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xr2 n ASN 608 N 0.93 2.92 -4.85 0.00 4.05 0.11 -4.88 115.26 113.54 1xr2 n ASN 608 Ca 0.18 -2.69 -0.21 0.00 0.45 0.00 0.00 54.58 52.31 1xr2 n ASN 608 Cb 0.54 -1.62 -0.04 0.00 1.23 0.00 0.00 39.78 39.90 1xr2 n ASN 608 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xr2 s ALA 609 N 10.10 3.72 0.77 5.20 0.00 -1.26 -4.99 121.76 135.29 1xr2 s ALA 609 Ca 0.67 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 1xr2 s ALA 609 Cb 0.02 -1.30 0.06 0.00 0.00 0.00 0.00 23.12 21.90 1xr2 s ALA 609 CO 0.14 0.16 1.20 1.03 0.00 0.00 0.00 175.76 178.29 1xr2 s ARG 610 N -3.91 1.90 0.24 0.00 0.52 -1.26 -4.63 118.95 111.81 1xr2 s ARG 610 Ca 0.36 1.73 -0.06 0.00 -0.52 0.00 0.00 55.73 57.24 1xr2 s ARG 610 Cb -0.07 -1.81 0.43 0.00 0.52 0.00 0.00 34.95 34.02 1xr2 s ARG 610 CO 0.26 -2.01 1.68 -1.35 0.02 0.00 0.00 175.30 173.90 1xr2 h PRO 611 N -0.61 0.24 0.00 3.54 0.11 -1.97 -1.44 132.00 131.87 1xr2 h PRO 611 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xr2 h PRO 611 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xr2 h PRO 611 CO 0.48 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 1xr2 n GLU 612 N -5.17 0.37 -3.34 1.05 -0.00 -1.26 -4.65 120.64 107.64 1xr2 n GLU 612 Ca 0.13 0.08 -0.41 0.00 -0.00 0.00 0.00 57.16 56.96 1xr2 n GLU 612 Cb 0.44 -1.50 -0.09 0.00 -0.00 0.00 0.00 31.44 30.29 1xr2 n GLU 612 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1xr2 s THR 613 N -2.38 5.11 -0.21 3.84 2.01 -0.54 -4.73 115.64 118.74 1xr2 s THR 613 Ca 0.21 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 1xr2 s THR 613 Cb 0.13 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1xr2 s THR 613 CO 0.26 -0.10 1.09 -1.58 -0.69 0.00 0.00 174.62 173.60 1xr2 s GLN 614 N 2.16 4.26 -0.24 4.92 0.74 -0.59 -4.81 119.66 126.11 1xr2 s GLN 614 Ca 0.15 1.43 -0.12 0.00 0.05 0.00 0.00 55.36 56.87 1xr2 s GLN 614 Cb -0.16 -3.66 -0.05 0.00 1.10 0.00 0.00 33.01 30.24 1xr2 s GLN 614 CO 0.12 -0.63 0.22 0.42 -0.55 0.00 0.00 175.29 174.87 1xr2 s ILE 615 N 3.20 5.31 -0.16 -2.34 -1.09 -1.26 -1.13 121.20 123.73 1xr2 s ILE 615 Ca 0.47 0.30 -0.02 0.00 -2.23 0.00 0.00 60.65 59.17 1xr2 s ILE 615 Cb -0.17 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1xr2 s ILE 615 CO 0.08 0.30 -0.08 -1.00 -1.23 0.00 0.00 174.94 173.02 1xr2 s HIS 616 N 1.26 2.92 -0.09 3.97 3.76 -0.40 0.58 115.29 127.30 1xr2 s HIS 616 Ca 0.10 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 1xr2 s HIS 616 Cb -0.14 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 1xr2 s HIS 616 CO 0.06 -0.22 -0.07 0.00 -0.85 0.00 0.00 174.74 173.66 1xr2 s ALA 617 N 0.59 2.94 -0.07 -1.40 0.00 0.11 -0.62 121.76 123.31 1xr2 s ALA 617 Ca -0.05 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.06 1xr2 s ALA 617 Cb -0.15 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.70 1xr2 s ALA 617 CO 0.03 0.48 -0.16 -1.58 0.00 0.00 0.00 175.76 174.52 1xr2 s HIS 618 N -0.48 1.77 -0.12 0.00 5.04 -1.21 -1.08 115.29 119.21 1xr2 s HIS 618 Ca 0.07 -0.66 -0.05 0.00 -1.54 0.00 0.00 55.06 52.88 1xr2 s HIS 618 Cb -0.12 -1.24 0.05 0.00 0.04 0.00 0.00 32.58 31.31 1xr2 s HIS 618 CO 0.02 -0.29 0.27 -1.64 -2.34 0.00 0.00 174.74 170.75 1xr2 s MET 619 N 0.47 0.21 -0.83 2.88 -1.94 -1.18 -3.38 119.30 115.53 1xr2 s MET 619 Ca -0.14 0.62 -0.02 0.00 -1.71 0.00 0.00 55.69 54.44 1xr2 s MET 619 Cb -0.16 -0.09 0.35 0.00 2.01 0.00 0.00 34.83 36.95 1xr2 s MET 619 CO 0.05 -0.20 2.05 0.00 -0.01 0.00 0.00 175.02 176.91 1xr2 s TYR 621 N -3.98 3.34 -0.96 0.00 4.12 -1.26 -4.91 117.35 113.70 1xr2 s TYR 621 Ca 0.53 1.41 0.27 0.00 0.02 0.00 0.00 57.07 59.31 1xr2 s TYR 621 Cb 0.44 -2.69 0.96 0.00 -1.52 0.00 0.00 41.96 39.15 1xr2 s TYR 621 CO -0.39 -0.02 1.75 -1.13 0.02 0.00 0.00 175.55 175.78 1xr2 n SER 622 N -0.54 0.25 -3.56 2.29 3.41 -1.26 -4.59 113.62 109.62 1xr2 n SER 622 Ca 0.05 0.29 -0.17 0.00 -0.26 0.00 0.00 58.87 58.78 1xr2 n SER 622 Cb 0.54 -0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1xr2 n SER 622 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xr2 s ASP 623 N -3.21 -0.67 0.00 4.04 2.15 -1.26 -4.91 116.67 112.81 1xr2 s ASP 623 Ca 0.12 0.91 0.00 0.00 0.43 0.00 0.00 52.55 54.01 1xr2 s ASP 623 Cb 0.18 0.80 0.00 0.00 -0.30 0.00 0.00 42.92 43.59 1xr2 s ASP 623 CO 0.59 -0.50 0.89 0.49 -0.17 0.00 0.00 175.17 176.47 1xr2 n PHE 624 N 1.44 0.00 0.00 -5.34 3.01 -1.26 -4.79 117.46 110.51 1xr2 n PHE 624 Ca -0.18 -0.40 0.04 0.00 1.01 0.00 0.00 57.45 57.92 1xr2 n PHE 624 Cb 0.56 -0.04 0.42 0.00 -0.01 0.00 0.00 39.48 40.41 1xr2 n PHE 624 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1xr2 h ASN 625 N 0.00 0.47 1.13 4.37 2.35 -1.95 0.19 115.58 122.14 1xr2 h ASN 625 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xr2 h ASN 625 Cb 0.44 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1xr2 h ASN 625 CO 0.00 0.35 -0.38 -0.33 -1.65 0.00 0.00 177.43 175.42 1xr2 h GLU 626 N 0.55 0.00 0.00 0.81 5.08 -2.02 -3.37 114.58 115.63 1xr2 h GLU 626 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xr2 h GLU 626 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xr2 h GLU 626 CO -0.03 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.42 1xr2 n ILE 627 N -2.20 0.00 -0.31 3.13 -5.35 -1.02 -4.81 119.36 108.80 1xr2 n ILE 627 Ca 0.04 -0.41 0.19 0.00 -0.27 0.00 0.00 62.75 62.30 1xr2 n ILE 627 Cb 0.44 1.14 0.46 0.00 -1.74 0.00 0.00 39.64 39.94 1xr2 n ILE 627 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 1xr2 h ILE 628 N 0.14 0.61 0.00 7.28 -0.00 -0.80 0.30 117.51 125.04 1xr2 h ILE 628 Ca 0.00 -0.17 -0.01 0.00 -0.00 0.00 0.00 64.86 64.68 1xr2 h ILE 628 Cb 0.07 0.08 -0.00 0.00 -0.00 0.00 0.00 36.82 36.96 1xr2 h ILE 628 CO 0.00 0.09 -0.06 1.05 -0.00 0.00 0.00 178.15 179.23 1xr2 h GLU 629 N 0.49 0.00 0.13 2.19 9.09 -1.87 -1.49 114.58 123.12 1xr2 h GLU 629 Ca 0.56 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 59.62 1xr2 h GLU 629 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 1xr2 h GLU 629 CO -0.29 0.06 -1.86 1.88 0.05 0.00 0.00 179.01 178.85 1xr2 h TYR 630 N 0.00 0.49 -0.67 2.06 -1.99 -0.82 -3.35 116.97 112.70 1xr2 h TYR 630 Ca -0.00 -0.36 0.04 0.00 2.00 0.00 0.00 58.73 60.41 1xr2 h TYR 630 Cb 0.58 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 39.25 1xr2 h TYR 630 CO 0.00 1.64 0.40 0.82 -0.00 0.00 0.00 178.16 181.02 1xr2 h ILE 631 N 0.07 1.05 -0.90 -2.88 5.03 -0.99 -2.15 117.51 116.75 1xr2 h ILE 631 Ca -0.37 -0.26 0.20 0.00 -0.12 0.00 0.00 64.86 64.30 1xr2 h ILE 631 Cb 2.05 0.21 -0.07 0.00 -3.03 0.00 0.00 36.82 35.98 1xr2 h ILE 631 CO 0.12 0.14 0.59 -0.74 -0.68 0.00 0.00 178.15 177.58 1xr2 h HIS 632 N 0.77 0.59 0.00 1.37 2.76 -1.40 -0.32 115.15 118.92 1xr2 h HIS 632 Ca 0.28 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1xr2 h HIS 632 Cb 0.07 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.85 1xr2 h HIS 632 CO -0.06 0.16 0.00 1.04 -1.30 0.00 0.00 177.93 177.78 1xr2 n GLN 633 N -4.53 0.94 -3.08 5.26 6.02 -0.81 -4.76 117.38 116.43 1xr2 n GLN 633 Ca 0.19 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.78 1xr2 n GLN 633 Cb 0.67 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 30.39 1xr2 n GLN 633 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xr2 s LEU 634 N -1.97 4.22 -0.04 1.08 1.43 -0.13 -4.97 118.68 118.30 1xr2 s LEU 634 Ca 0.44 1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 54.48 1xr2 s LEU 634 Cb 0.20 -2.99 -0.26 0.00 0.03 0.00 0.00 46.19 43.18 1xr2 s LEU 634 CO 0.34 -0.22 3.59 -0.62 0.23 0.00 0.00 176.35 179.67 1xr2 n GLU 635 N 4.53 2.04 -2.41 1.70 1.02 -1.26 -4.89 120.64 121.37 1xr2 n GLU 635 Ca -0.01 -1.07 -0.24 0.00 -0.02 0.00 0.00 57.16 55.82 1xr2 n GLU 635 Cb 0.50 -2.02 0.08 0.00 -0.02 0.00 0.00 31.44 29.99 1xr2 n GLU 635 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1xr2 s PHE 636 N 0.92 2.39 -0.07 -0.32 -0.71 -1.26 -4.93 117.98 114.01 1xr2 s PHE 636 Ca 0.67 0.10 0.08 0.00 -1.04 0.00 0.00 56.93 56.73 1xr2 s PHE 636 Cb 0.32 -3.10 -0.11 0.00 -1.21 0.00 0.00 43.02 38.92 1xr2 s PHE 636 CO -0.01 -1.47 0.06 -0.25 -1.34 0.00 0.00 175.22 172.22 1xr2 n ASP 637 N -2.82 2.93 -3.79 1.98 8.00 0.20 -4.95 116.55 118.10 1xr2 n ASP 637 Ca 0.11 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 1xr2 n ASP 637 Cb 0.60 0.85 -0.15 0.00 -0.02 0.00 0.00 41.12 42.40 1xr2 n ASP 637 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xr2 s VAL 638 N -2.29 -0.05 -0.14 2.53 1.01 -0.44 -3.00 120.40 118.02 1xr2 s VAL 638 Ca -0.04 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1xr2 s VAL 638 Cb 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.35 1xr2 s VAL 638 CO 0.35 0.07 -0.22 -0.51 0.00 0.00 0.00 175.10 174.79 1xr2 s ILE 639 N 0.86 2.05 -0.03 2.22 2.07 -0.91 0.08 121.20 127.56 1xr2 s ILE 639 Ca -0.07 -0.97 -0.10 0.00 -1.41 0.00 0.00 60.65 58.10 1xr2 s ILE 639 Cb -0.10 -1.82 -0.05 0.00 0.13 0.00 0.00 42.46 40.62 1xr2 s ILE 639 CO -0.03 0.55 0.29 -0.94 -1.91 0.00 0.00 174.94 172.90 1xr2 s SER 640 N 0.88 6.59 0.11 4.50 1.04 -0.25 -0.74 113.70 125.84 1xr2 s SER 640 Ca -0.05 0.70 0.01 0.00 0.48 0.00 0.00 55.95 57.08 1xr2 s SER 640 Cb -0.15 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 1xr2 s SER 640 CO -0.03 0.32 -0.03 0.27 0.98 0.00 0.00 173.24 174.75 1xr2 s ILE 641 N -1.15 0.53 -0.36 -1.02 -4.36 -0.06 -3.11 121.20 111.66 1xr2 s ILE 641 Ca 0.23 -1.92 -0.19 0.00 -0.26 0.00 0.00 60.65 58.51 1xr2 s ILE 641 Cb -0.14 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.76 1xr2 s ILE 641 CO 0.12 -0.75 0.58 -1.83 0.24 0.00 0.00 174.94 173.29 1xr2 s GLU 642 N -3.90 3.62 0.00 0.37 4.04 -1.26 -1.36 118.70 120.21 1xr2 s GLU 642 Ca 0.15 -0.08 0.00 0.00 0.04 0.00 0.00 54.97 55.08 1xr2 s GLU 642 Cb 0.06 -3.82 0.00 0.00 0.02 0.00 0.00 34.13 30.39 1xr2 s GLU 642 CO -0.03 -0.71 0.63 0.00 -1.84 0.00 0.00 175.26 173.32 1xr2 n ALA 643 N 5.91 2.29 0.19 -0.84 0.00 -1.08 -4.81 120.51 122.17 1xr2 n ALA 643 Ca -0.03 -0.63 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 1xr2 n ALA 643 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 1xr2 n ALA 643 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xr2 h SER 644 N 0.00 -0.40 -0.82 0.00 4.64 -1.82 0.11 113.55 115.25 1xr2 h SER 644 Ca 0.00 -0.12 0.20 0.00 -0.47 0.00 0.00 61.79 61.40 1xr2 h SER 644 Cb 0.16 0.10 -0.12 0.00 -0.31 0.00 0.00 62.40 62.24 1xr2 h SER 644 CO 0.00 -0.10 0.25 0.03 -0.87 0.00 0.00 176.83 176.14 1xr2 h ARG 645 N -0.71 0.28 -0.08 4.77 -0.00 -1.92 0.24 114.38 116.97 1xr2 h ARG 645 Ca -0.05 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 1xr2 h ARG 645 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.40 1xr2 h ARG 645 CO 0.08 0.19 0.00 -1.13 0.00 0.00 0.00 179.97 179.11 1xr2 n SER 646 N -5.14 1.68 -3.20 7.04 3.41 -1.22 -4.92 113.62 111.25 1xr2 n SER 646 Ca 0.18 -1.61 -0.23 0.00 -0.26 0.00 0.00 58.87 56.96 1xr2 n SER 646 Cb 0.57 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1xr2 n SER 646 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xr2 n LYS 647 N 0.31 -4.41 0.00 4.33 5.02 0.85 -2.02 118.16 122.24 1xr2 n LYS 647 Ca 0.18 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 1xr2 n LYS 647 Cb 0.36 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 29.84 1xr2 n LYS 647 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xr2 n GLY 648 N -1.40 2.60 0.33 0.72 0.00 -0.06 -4.47 105.19 102.91 1xr2 n GLY 648 Ca -0.06 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.18 1xr2 n GLY 648 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xr2 h GLU 649 N 2.90 0.00 0.00 1.61 4.57 -1.68 0.35 114.58 122.33 1xr2 h GLU 649 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xr2 h GLU 649 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1xr2 h GLU 649 CO 0.00 0.00 0.00 1.51 -1.18 0.00 0.00 179.01 179.34 1xr2 n ILE 650 N -3.04 1.46 0.55 2.32 3.06 -1.26 -1.64 119.36 120.81 1xr2 n ILE 650 Ca -0.03 0.46 0.12 0.00 -2.50 0.00 0.00 62.75 60.80 1xr2 n ILE 650 Cb 0.09 -1.39 0.45 0.00 0.54 0.00 0.00 39.64 39.33 1xr2 n ILE 650 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1xr2 n ILE 651 N -1.72 0.68 -0.17 9.51 0.13 0.11 -3.85 119.36 124.04 1xr2 n ILE 651 Ca 0.01 0.01 -0.03 0.00 -1.10 0.00 0.00 62.75 61.63 1xr2 n ILE 651 Cb 0.07 -0.86 0.03 0.00 -0.84 0.00 0.00 39.64 38.04 1xr2 n ILE 651 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1xr2 h SER 652 N 0.00 -0.73 -0.70 9.51 4.64 -1.53 -0.04 113.55 124.71 1xr2 h SER 652 Ca 0.00 0.18 0.17 0.00 -0.47 0.00 0.00 61.79 61.67 1xr2 h SER 652 Cb 0.52 0.41 -0.04 0.00 -0.31 0.00 0.00 62.40 62.98 1xr2 h SER 652 CO 0.00 -0.24 0.48 0.00 -0.87 0.00 0.00 176.83 176.20 1xr2 h ALA 653 N 1.32 2.34 0.13 5.18 0.00 -1.83 -1.68 119.26 124.72 1xr2 h ALA 653 Ca 0.25 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.92 1xr2 h ALA 653 Cb 0.47 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xr2 h ALA 653 CO -0.59 -0.54 -1.11 0.74 0.00 0.00 0.00 179.25 177.76 1xr2 h PHE 654 N 0.22 0.49 0.00 0.00 0.04 -1.30 -3.23 116.94 113.15 1xr2 h PHE 654 Ca 0.34 -0.36 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1xr2 h PHE 654 Cb 1.02 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 1xr2 h PHE 654 CO -0.00 1.43 -0.11 1.05 -0.60 0.00 0.00 178.31 180.08 1xr2 h GLU 655 N -0.35 0.00 -0.02 1.51 4.11 -0.85 -2.42 114.58 116.56 1xr2 h GLU 655 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1xr2 h GLU 655 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1xr2 h GLU 655 CO 0.10 0.11 -0.08 0.09 0.07 0.00 0.00 179.01 179.30 1xr2 n ASN 656 N -3.43 1.72 -4.48 3.06 3.02 -0.67 -4.79 115.26 109.69 1xr2 n ASN 656 Ca -0.01 -1.47 -0.43 0.00 -0.03 0.00 0.00 54.58 52.64 1xr2 n ASN 656 Cb 0.27 0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 1xr2 n ASN 656 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xr2 s PHE 657 N -2.13 2.96 0.15 3.10 2.19 -0.91 -5.00 117.98 118.33 1xr2 s PHE 657 Ca 0.32 -0.32 -0.33 0.00 0.33 0.00 0.00 56.93 56.92 1xr2 s PHE 657 Cb 0.20 -3.71 -0.13 0.00 -1.31 0.00 0.00 43.02 38.07 1xr2 s PHE 657 CO 0.38 -1.13 1.65 0.36 1.83 0.00 0.00 175.22 178.31 1xr2 n LYS 658 N 6.62 2.31 -0.68 10.12 -0.00 -1.26 -1.70 118.16 133.57 1xr2 n LYS 658 Ca -0.03 0.84 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 1xr2 n LYS 658 Cb 0.46 -2.63 0.00 0.00 -0.00 0.00 0.00 35.03 32.86 1xr2 n LYS 658 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xr2 n GLY 659 N 3.65 0.67 3.70 2.58 0.00 -1.26 -5.02 105.19 109.51 1xr2 n GLY 659 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xr2 n GLY 659 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xr2 s TRP 660 N -2.07 3.10 0.00 1.61 -0.11 -0.69 -4.83 118.94 115.95 1xr2 s TRP 660 Ca 0.00 0.98 0.00 0.00 1.22 0.00 0.00 56.10 58.30 1xr2 s TRP 660 Cb 0.00 -3.60 0.00 0.00 -1.50 0.00 0.00 33.47 28.37 1xr2 s TRP 660 CO 0.00 -2.11 0.12 1.51 -4.62 0.00 0.00 176.95 171.86 1xr2 n ILE 661 N 4.32 0.01 -2.81 5.86 0.13 -1.26 -5.08 119.36 120.53 1xr2 n ILE 661 Ca 0.12 -0.05 -0.29 0.00 -1.10 0.00 0.00 62.75 61.43 1xr2 n ILE 661 Cb 0.44 1.77 -0.02 0.00 -0.84 0.00 0.00 39.64 40.99 1xr2 n ILE 661 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 1xr2 s LYS 662 N -0.01 3.64 0.53 9.51 1.02 -1.26 -5.03 119.74 128.14 1xr2 s LYS 662 Ca 0.00 0.27 -0.20 0.00 0.02 0.00 0.00 55.97 56.06 1xr2 s LYS 662 Cb 0.00 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.84 1xr2 s LYS 662 CO 0.00 -0.09 1.17 -0.65 -0.92 0.00 0.00 175.35 174.86 1xr2 s GLN 663 N -4.26 3.38 -0.07 1.68 -0.21 -1.16 -4.94 119.66 114.08 1xr2 s GLN 663 Ca 0.48 1.74 0.01 0.00 0.02 0.00 0.00 55.36 57.61 1xr2 s GLN 663 Cb -0.10 -2.12 0.02 0.00 1.00 0.00 0.00 33.01 31.80 1xr2 s GLN 663 CO 0.38 -0.85 -0.07 0.42 -2.12 0.00 0.00 175.29 173.04 1xr2 s ILE 664 N -1.64 0.83 -0.62 1.08 1.01 0.92 -2.13 121.20 120.64 1xr2 s ILE 664 Ca 0.71 -0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.90 1xr2 s ILE 664 Cb -0.28 -0.83 0.08 0.00 0.01 0.00 0.00 42.46 41.45 1xr2 s ILE 664 CO 0.32 0.30 0.84 -0.83 0.00 0.00 0.00 174.94 175.57 1xr2 s GLY 665 N 1.14 1.57 -0.23 6.18 0.00 0.09 -0.96 107.32 115.11 1xr2 s GLY 665 Ca -0.07 -2.01 -0.29 0.00 0.00 0.00 0.00 44.72 42.35 1xr2 s GLY 665 CO -0.01 1.83 1.13 0.14 0.00 0.00 0.00 173.10 176.19 1xr2 s VAL 666 N 3.39 4.49 -0.13 1.40 1.01 0.21 -0.88 120.40 129.89 1xr2 s VAL 666 Ca 0.17 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 1xr2 s VAL 666 Cb -0.20 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 1xr2 s VAL 666 CO 0.08 -0.23 1.00 -0.83 0.00 0.00 0.00 175.10 175.13 1xr2 s GLY 667 N 1.62 2.25 0.00 4.51 0.00 -0.46 -1.78 107.32 113.45 1xr2 s GLY 667 Ca 0.48 0.33 0.04 0.00 0.00 0.00 0.00 44.72 45.57 1xr2 s GLY 667 CO 0.11 1.94 1.09 3.33 0.00 0.00 0.00 173.10 179.57 1xr2 n VAL 668 N 4.67 0.98 -3.69 1.40 0.24 -0.68 -2.59 118.33 118.65 1xr2 n VAL 668 Ca 0.09 -0.99 -0.18 0.00 -2.04 0.00 0.00 64.34 61.22 1xr2 n VAL 668 Cb 0.48 0.51 -0.17 0.00 -1.47 0.00 0.00 33.84 33.20 1xr2 n VAL 668 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1xr2 s TRP 669 N -0.98 -0.02 -0.60 6.34 -0.00 -1.26 -4.60 118.94 117.82 1xr2 s TRP 669 Ca 0.09 0.34 -0.28 0.00 -0.00 0.00 0.00 56.10 56.26 1xr2 s TRP 669 Cb 0.05 -0.36 0.01 0.00 -0.00 0.00 0.00 33.47 33.17 1xr2 s TRP 669 CO 0.06 -0.19 1.45 0.34 -0.00 0.00 0.00 176.95 178.61 1xr2 s ASP 670 N 1.95 6.02 0.00 5.86 2.15 -1.26 -1.65 116.67 129.73 1xr2 s ASP 670 Ca 0.01 0.17 0.05 0.00 0.43 0.00 0.00 52.55 53.21 1xr2 s ASP 670 Cb -0.12 -2.55 0.32 0.00 -0.30 0.00 0.00 42.92 40.27 1xr2 s ASP 670 CO -0.04 -1.82 1.07 2.30 -0.17 0.00 0.00 175.17 176.51 1xr2 n ILE 671 N 6.82 0.00 -0.51 4.11 -6.64 -1.26 -2.31 119.36 119.57 1xr2 n ILE 671 Ca 0.12 0.00 0.09 0.00 -1.77 0.00 0.00 62.75 61.19 1xr2 n ILE 671 Cb 0.49 -0.18 0.29 0.00 -1.44 0.00 0.00 39.64 38.81 1xr2 n ILE 671 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1xr2 n HIS 672 N -0.60 1.08 -4.60 4.28 8.25 -1.26 -4.73 115.22 117.64 1xr2 n HIS 672 Ca 0.04 -0.59 -0.22 0.00 -0.26 0.00 0.00 57.72 56.69 1xr2 n HIS 672 Cb 0.02 -0.15 -0.15 0.00 1.12 0.00 0.00 29.99 30.83 1xr2 n HIS 672 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xr2 s SER 673 N -1.07 1.57 0.41 0.41 0.15 -0.98 -5.03 113.70 109.16 1xr2 s SER 673 Ca 0.43 -0.24 0.22 0.00 0.70 0.00 0.00 55.95 57.06 1xr2 s SER 673 Cb 0.27 -0.25 0.59 0.00 -1.71 0.00 0.00 66.02 64.92 1xr2 s SER 673 CO 0.22 0.15 1.68 -0.65 1.20 0.00 0.00 173.24 175.85 1xr2 h PRO 674 N 5.96 0.00 -7.10 5.44 0.11 -1.91 -3.46 132.00 131.04 1xr2 h PRO 674 Ca -0.34 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.22 1xr2 h PRO 674 Cb 1.17 0.00 0.17 0.00 0.11 0.00 0.00 31.00 32.44 1xr2 h PRO 674 CO 0.49 0.23 0.41 0.00 -0.21 0.00 0.00 178.00 178.92 1xr2 n ALA 675 N -2.18 0.68 -2.49 -0.75 0.00 -1.26 -4.86 120.51 109.64 1xr2 n ALA 675 Ca 0.02 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1xr2 n ALA 675 Cb 0.53 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 1xr2 n ALA 675 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xr2 s VAL 676 N -1.62 5.23 0.31 0.00 1.01 -1.26 -5.01 120.40 119.06 1xr2 s VAL 676 Ca 0.79 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 1xr2 s VAL 676 Cb -0.36 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 1xr2 s VAL 676 CO 0.44 -0.24 1.40 -2.65 0.00 0.00 0.00 175.10 174.05 1xr2 n PRO 677 N 5.25 2.26 -2.58 2.72 -0.02 -1.26 -4.98 135.00 136.39 1xr2 n PRO 677 Ca -0.11 0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 61.87 1xr2 n PRO 677 Cb 0.48 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1xr2 n PRO 677 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xr2 s SER 678 N 0.03 6.46 0.24 2.55 1.04 -1.26 -4.90 113.70 117.86 1xr2 s SER 678 Ca 0.60 1.23 -0.05 0.00 0.48 0.00 0.00 55.95 58.22 1xr2 s SER 678 Cb -0.57 -2.37 0.36 0.00 0.10 0.00 0.00 66.02 63.54 1xr2 s SER 678 CO 0.56 -0.54 1.81 0.40 0.98 0.00 0.00 173.24 176.46 1xr2 h ILE 679 N 0.72 0.93 -0.07 -1.02 2.04 -1.93 -0.85 117.51 117.33 1xr2 h ILE 679 Ca -0.47 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 1xr2 h ILE 679 Cb 1.19 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1xr2 h ILE 679 CO 0.63 0.14 -0.30 0.78 0.00 0.00 0.00 178.15 179.40 1xr2 h ASN 680 N 0.79 0.12 -0.26 1.72 2.35 -1.97 -0.47 115.58 117.86 1xr2 h ASN 680 Ca 0.38 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 1xr2 h ASN 680 Cb 0.31 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1xr2 h ASN 680 CO -0.23 0.42 0.05 -0.33 -1.65 0.00 0.00 177.43 175.69 1xr2 h GLU 681 N 0.11 0.43 -0.29 0.81 5.08 -1.55 -2.57 114.58 116.60 1xr2 h GLU 681 Ca 0.02 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 1xr2 h GLU 681 Cb 0.59 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1xr2 h GLU 681 CO 0.04 0.54 -0.31 0.52 -1.00 0.00 0.00 179.01 178.80 1xr2 h MET 682 N 0.24 0.61 -0.63 2.33 2.86 -1.12 -3.09 114.93 116.14 1xr2 h MET 682 Ca 0.08 -0.27 0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1xr2 h MET 682 Cb 0.32 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 1xr2 h MET 682 CO 0.00 0.85 0.34 -0.09 1.06 0.00 0.00 176.91 179.07 1xr2 h ARG 683 N 0.52 0.61 -0.82 1.72 2.43 -0.91 -1.51 114.38 116.42 1xr2 h ARG 683 Ca 0.06 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1xr2 h ARG 683 Cb 0.80 -0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 1xr2 h ARG 683 CO 0.07 0.40 0.45 1.49 -1.51 0.00 0.00 179.97 180.87 1xr2 h GLU 684 N 0.63 0.71 0.14 0.20 4.81 -1.37 -0.86 114.58 118.83 1xr2 h GLU 684 Ca 0.28 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1xr2 h GLU 684 Cb 0.18 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xr2 h GLU 684 CO -0.18 0.47 -0.07 0.82 -0.73 0.00 0.00 179.01 179.32 1xr2 h ILE 685 N 0.73 0.95 -0.84 2.32 2.04 -1.36 -2.07 117.51 119.29 1xr2 h ILE 685 Ca 0.41 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1xr2 h ILE 685 Cb 0.43 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1xr2 h ILE 685 CO -0.27 0.09 0.55 0.58 0.00 0.00 0.00 178.15 179.09 1xr2 h VAL 686 N -0.36 1.22 -0.44 1.67 2.07 -0.95 -2.17 116.25 117.28 1xr2 h VAL 686 Ca -0.02 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1xr2 h VAL 686 Cb 0.29 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1xr2 h VAL 686 CO 0.03 0.21 0.04 -0.33 0.02 0.00 0.00 177.57 177.54 1xr2 h GLU 687 N 1.14 0.70 -0.42 1.57 5.08 -1.11 -1.24 114.58 120.30 1xr2 h GLU 687 Ca 0.31 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1xr2 h GLU 687 Cb -0.12 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1xr2 h GLU 687 CO -0.06 0.69 0.02 -0.09 -1.00 0.00 0.00 179.01 178.56 1xr2 h ARG 688 N 0.67 0.73 0.00 2.33 9.65 -0.95 -2.57 114.38 124.24 1xr2 h ARG 688 Ca 0.14 -0.22 -0.04 0.00 -1.10 0.00 0.00 59.98 58.76 1xr2 h ARG 688 Cb 0.36 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 1xr2 h ARG 688 CO 0.01 0.80 -0.20 0.28 2.80 0.00 0.00 179.97 183.65 1xr2 h VAL 689 N 0.57 0.98 -0.21 0.20 2.07 -1.03 -2.25 116.25 116.58 1xr2 h VAL 689 Ca 0.12 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1xr2 h VAL 689 Cb 0.45 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1xr2 h VAL 689 CO 0.02 0.20 0.00 0.18 0.02 0.00 0.00 177.57 177.99 1xr2 n LEU 690 N -4.06 1.21 -0.14 2.57 4.77 -0.50 -3.95 117.00 116.90 1xr2 n LEU 690 Ca -0.02 -0.59 -0.09 0.00 -0.03 0.00 0.00 56.01 55.28 1xr2 n LEU 690 Cb 0.28 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1xr2 n LEU 690 CO 0.35 0.29 0.95 -0.09 -1.33 0.00 0.00 177.39 177.56 1xr2 h ARG 691 N 1.36 0.61 0.00 3.23 2.43 -1.25 -3.40 114.38 117.36 1xr2 h ARG 691 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1xr2 h ARG 691 Cb 0.31 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1xr2 h ARG 691 CO 0.00 0.54 -0.88 0.28 -1.51 0.00 0.00 179.97 178.40 1xr2 n VAL 692 N -4.66 0.00 -2.52 0.20 0.31 -1.26 -5.07 118.33 105.34 1xr2 n VAL 692 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1xr2 n VAL 692 Cb 0.12 -0.59 -0.04 0.00 -0.91 0.00 0.00 33.84 32.42 1xr2 n VAL 692 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xr2 s LEU 693 N -4.39 4.54 0.28 7.52 1.43 -1.25 -4.99 118.68 121.81 1xr2 s LEU 693 Ca 0.00 2.17 -0.30 0.00 -1.03 0.00 0.00 54.13 54.97 1xr2 s LEU 693 Cb 0.00 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.48 1xr2 s LEU 693 CO 0.00 -0.14 1.48 -2.65 0.23 0.00 0.00 176.35 175.27 1xr2 n PRO 694 N 1.65 2.34 -0.12 1.29 -0.02 -1.26 -4.68 135.00 134.19 1xr2 n PRO 694 Ca 0.00 0.83 0.16 0.00 -2.02 0.00 0.00 63.50 62.48 1xr2 n PRO 694 Cb 0.45 -2.53 0.55 0.00 -0.02 0.00 0.00 33.50 31.95 1xr2 n PRO 694 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1xr2 h LYS 695 N 4.25 0.31 0.00 -0.52 2.10 -1.94 -1.90 116.57 118.87 1xr2 h LYS 695 Ca -0.46 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1xr2 h LYS 695 Cb 1.25 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1xr2 h LYS 695 CO 0.76 0.20 0.00 -0.85 -2.00 0.00 0.00 179.45 177.56 1xr2 n GLU 696 N -4.45 0.38 0.06 0.07 0.00 -1.26 -2.25 120.64 113.18 1xr2 n GLU 696 Ca 0.13 0.03 0.11 0.00 0.00 0.00 0.00 57.16 57.44 1xr2 n GLU 696 Cb 0.54 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.41 1xr2 n GLU 696 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xr2 n LEU 697 N -1.06 0.49 -4.73 -1.84 4.77 -0.71 -4.95 117.00 108.96 1xr2 n LEU 697 Ca 0.09 0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.86 1xr2 n LEU 697 Cb 0.06 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1xr2 n LEU 697 CO 0.08 -0.11 0.47 -0.63 -1.33 0.00 0.00 177.39 175.88 1xr2 s ILE 698 N -3.43 4.83 0.19 -0.08 -1.09 -0.96 -0.06 121.20 120.61 1xr2 s ILE 698 Ca -0.04 1.63 0.11 0.00 -2.23 0.00 0.00 60.65 60.12 1xr2 s ILE 698 Cb 0.11 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1xr2 s ILE 698 CO 0.84 0.31 -0.20 0.26 -1.23 0.00 0.00 174.94 174.92 1xr2 s TRP 699 N 0.29 2.39 -0.11 3.97 0.52 -0.14 -3.91 118.94 121.95 1xr2 s TRP 699 Ca 0.40 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 56.23 1xr2 s TRP 699 Cb -0.20 -1.18 0.00 0.00 -1.15 0.00 0.00 33.47 30.95 1xr2 s TRP 699 CO 0.22 0.51 -0.23 0.42 0.02 0.00 0.00 176.95 177.89 1xr2 s ILE 700 N -1.69 2.05 0.33 2.03 1.01 -0.53 -0.62 121.20 123.77 1xr2 s ILE 700 Ca 0.22 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 1xr2 s ILE 700 Cb -0.08 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1xr2 s ILE 700 CO 0.11 0.56 0.61 0.54 0.00 0.00 0.00 174.94 176.76 1xr2 s ASN 701 N 0.49 0.23 0.91 3.58 4.22 -0.73 -2.60 114.94 121.03 1xr2 s ASN 701 Ca -0.15 -1.13 -0.12 0.00 -2.14 0.00 0.00 52.86 49.31 1xr2 s ASN 701 Cb -0.17 0.72 0.14 0.00 1.28 0.00 0.00 41.25 43.21 1xr2 s ASN 701 CO 0.06 -1.40 1.12 -2.84 -2.04 0.00 0.00 177.10 172.00 1xr2 s PRO 702 N -3.14 1.15 0.03 3.55 0.02 -1.26 -1.68 135.00 133.67 1xr2 s PRO 702 Ca 0.21 0.40 -0.26 0.00 0.02 0.00 0.00 61.00 61.37 1xr2 s PRO 702 Cb -0.03 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.52 1xr2 s PRO 702 CO 0.13 -2.21 1.22 -0.44 -0.33 0.00 0.00 177.00 175.37 1xr2 h ASP 703 N -1.51 -0.80 0.00 2.53 5.19 -1.62 -3.40 116.42 116.81 1xr2 h ASP 703 Ca -0.51 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1xr2 h ASP 703 Cb 1.32 0.21 0.00 0.00 0.18 0.00 0.00 39.33 41.04 1xr2 h ASP 703 CO 0.60 -0.50 0.00 0.00 -3.12 0.00 0.00 179.24 176.22 1xr2 s GLY 705 N 0.00 1.65 0.00 0.00 0.00 -1.26 -4.57 107.32 103.14 1xr2 s GLY 705 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.04 1xr2 s GLY 705 CO 0.00 0.74 0.68 1.04 0.00 0.00 0.00 173.10 175.57 1xr2 n LEU 706 N -4.10 1.44 0.33 0.66 4.32 -0.88 -4.74 117.00 114.02 1xr2 n LEU 706 Ca 0.09 -1.19 0.21 0.00 -0.02 0.00 0.00 56.01 55.09 1xr2 n LEU 706 Cb 0.53 -0.01 1.13 0.00 -1.62 0.00 0.00 43.42 43.45 1xr2 n LEU 706 CO 0.53 0.33 1.17 0.50 -1.22 0.00 0.00 177.39 178.70 1xr2 h LYS 707 N 0.57 0.00 0.00 3.23 3.64 -1.71 -1.99 116.57 120.31 1xr2 h LYS 707 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1xr2 h LYS 707 Cb 0.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1xr2 h LYS 707 CO 0.00 0.00 -0.54 1.79 -2.27 0.00 0.00 179.45 178.43 1xr2 h THR 708 N 0.00 0.26 -3.45 1.00 1.35 -1.90 -3.38 112.91 106.78 1xr2 h THR 708 Ca -0.00 -1.40 -0.45 0.00 -0.55 0.00 0.00 66.41 64.01 1xr2 h THR 708 Cb 0.02 1.97 0.13 0.00 -1.73 0.00 0.00 68.15 68.54 1xr2 h THR 708 CO 0.00 0.15 0.31 -0.13 -0.25 0.00 0.00 175.52 175.60 1xr2 s ARG 709 N -3.16 1.16 0.16 4.72 1.81 -0.75 -5.08 118.95 117.80 1xr2 s ARG 709 Ca 0.03 -0.59 0.07 0.00 -1.72 0.00 0.00 55.73 53.52 1xr2 s ARG 709 Cb 0.07 -2.03 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 1xr2 s ARG 709 CO 0.73 -1.98 -0.03 -0.80 -0.68 0.00 0.00 175.30 172.55 1xr2 s ASN 710 N -4.80 4.68 0.40 0.23 0.01 -1.26 -4.62 114.94 109.58 1xr2 s ASN 710 Ca 0.70 -0.40 0.11 0.00 -0.71 0.00 0.00 52.86 52.56 1xr2 s ASN 710 Cb -0.05 -0.97 0.91 0.00 0.41 0.00 0.00 41.25 41.55 1xr2 s ASN 710 CO 0.49 0.11 1.96 -0.50 -1.51 0.00 0.00 177.10 177.65 1xr2 h TRP 711 N 2.92 0.58 -0.65 2.20 4.06 -1.95 -1.21 115.95 121.89 1xr2 h TRP 711 Ca -0.47 0.02 0.12 0.00 2.06 0.00 0.00 58.89 60.62 1xr2 h TRP 711 Cb 1.19 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 29.12 1xr2 h TRP 711 CO 0.62 0.28 0.44 -0.44 -3.56 0.00 0.00 178.44 175.78 1xr2 h ASP 712 N 0.55 0.34 0.13 -3.49 5.19 -2.01 -1.64 116.42 115.49 1xr2 h ASP 712 Ca 0.31 0.01 -0.36 0.00 -0.62 0.00 0.00 57.03 56.37 1xr2 h ASP 712 Cb 0.48 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 1xr2 h ASP 712 CO -0.10 0.19 -2.03 -0.62 -3.12 0.00 0.00 179.24 173.56 1xr2 n GLU 713 N -4.46 0.75 0.08 3.56 1.02 -0.56 -4.35 120.64 116.67 1xr2 n GLU 713 Ca 0.12 0.25 -0.13 0.00 -0.02 0.00 0.00 57.16 57.38 1xr2 n GLU 713 Cb 0.46 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 30.11 1xr2 n GLU 713 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xr2 h VAL 714 N 0.06 0.94 0.27 2.62 2.07 -0.85 -3.00 116.25 118.36 1xr2 h VAL 714 Ca -0.43 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1xr2 h VAL 714 Cb 2.02 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1xr2 h VAL 714 CO 0.07 0.02 -0.36 0.40 0.02 0.00 0.00 177.57 177.73 1xr2 h ILE 715 N -0.16 0.26 -0.15 4.57 2.04 -1.54 -0.43 117.51 122.10 1xr2 h ILE 715 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1xr2 h ILE 715 Cb 0.13 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1xr2 h ILE 715 CO 0.02 0.00 -0.05 1.55 0.00 0.00 0.00 178.15 179.67 1xr2 h PRO 716 N -0.69 0.23 -0.32 2.37 0.13 -1.76 -0.96 132.00 131.00 1xr2 h PRO 716 Ca -0.01 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.97 1xr2 h PRO 716 Cb 0.65 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1xr2 h PRO 716 CO -0.12 0.30 -0.27 0.77 -0.23 0.00 0.00 178.00 178.45 1xr2 h SER 717 N 0.22 0.79 -0.72 1.44 0.02 -1.35 -2.50 113.55 111.45 1xr2 h SER 717 Ca 0.05 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.51 1xr2 h SER 717 Cb 0.24 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1xr2 h SER 717 CO 0.01 1.08 0.31 -0.07 -1.14 0.00 0.00 176.83 177.02 1xr2 h LEU 718 N 0.52 0.99 -0.91 5.07 4.07 -0.65 -0.71 115.31 123.67 1xr2 h LEU 718 Ca 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1xr2 h LEU 718 Cb 0.84 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.28 1xr2 h LEU 718 CO 0.07 0.88 0.53 0.03 -1.08 0.00 0.00 178.44 178.87 1xr2 h ARG 719 N 1.03 1.25 -0.33 1.13 3.08 -1.10 -1.49 114.38 117.96 1xr2 h ARG 719 Ca 0.24 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1xr2 h ARG 719 Cb 0.19 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1xr2 h ARG 719 CO -0.02 0.89 -0.20 -0.91 -1.07 0.00 0.00 179.97 178.66 1xr2 h ASN 720 N 1.27 0.61 -0.60 7.04 2.35 -0.98 -0.71 115.58 124.55 1xr2 h ASN 720 Ca 0.33 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1xr2 h ASN 720 Cb -0.02 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1xr2 h ASN 720 CO -0.06 0.81 0.22 -0.03 -1.65 0.00 0.00 177.43 176.73 1xr2 h MET 721 N 0.54 0.91 -0.22 0.81 4.05 -0.37 -0.72 114.93 119.94 1xr2 h MET 721 Ca 0.08 -0.17 -0.03 0.00 -0.28 0.00 0.00 59.70 59.30 1xr2 h MET 721 Cb 0.65 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 1xr2 h MET 721 CO 0.05 0.79 0.01 0.28 0.23 0.00 0.00 176.91 178.26 1xr2 h VAL 722 N 0.84 1.25 -0.56 -5.77 2.07 -1.01 -1.91 116.25 111.16 1xr2 h VAL 722 Ca 0.20 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.96 1xr2 h VAL 722 Cb 0.23 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1xr2 h VAL 722 CO -0.01 0.26 0.17 0.00 0.02 0.00 0.00 177.57 178.01 1xr2 h ALA 723 N 0.81 0.68 0.34 1.67 0.00 -0.88 -0.29 119.26 121.58 1xr2 h ALA 723 Ca 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xr2 h ALA 723 Cb 0.38 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xr2 h ALA 723 CO 0.01 -0.24 -0.18 1.25 0.00 0.00 0.00 179.25 180.09 1xr2 h LEU 724 N 0.33 -0.42 -0.68 0.00 7.12 -1.02 -1.05 115.31 119.59 1xr2 h LEU 724 Ca 0.28 0.02 0.14 0.00 0.13 0.00 0.00 57.88 58.45 1xr2 h LEU 724 Cb 0.36 0.12 -0.10 0.00 -0.53 0.00 0.00 40.66 40.51 1xr2 h LEU 724 CO -0.31 -0.29 0.17 0.00 -0.13 0.00 0.00 178.44 177.87 1xr2 h ALA 725 N 0.19 0.85 -0.37 1.25 0.00 -0.68 0.13 119.26 120.63 1xr2 h ALA 725 Ca -0.04 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1xr2 h ALA 725 Cb 0.37 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xr2 h ALA 725 CO 0.06 -0.31 0.19 1.57 0.00 0.00 0.00 179.25 180.76 1xr2 h LYS 726 N 0.29 0.37 -0.11 0.00 -0.00 -0.72 -1.06 116.57 115.33 1xr2 h LYS 726 Ca 0.37 -0.02 0.02 0.00 -0.00 0.00 0.00 60.65 61.02 1xr2 h LYS 726 Cb 0.58 -0.08 -0.02 0.00 -0.00 0.00 0.00 32.23 32.71 1xr2 h LYS 726 CO -0.45 0.24 -0.01 0.93 -0.00 0.00 0.00 179.45 180.17 1xr2 h GLU 727 N 0.38 0.02 -0.95 0.07 5.08 0.44 -2.48 114.58 117.14 1xr2 h GLU 727 Ca 0.16 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1xr2 h GLU 727 Cb 0.06 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1xr2 h GLU 727 CO -0.11 0.02 0.60 0.52 -1.00 0.00 0.00 179.01 179.04 1xr2 h MET 728 N 0.02 1.04 -0.54 2.33 2.86 -0.50 0.62 114.93 120.76 1xr2 h MET 728 Ca 0.05 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1xr2 h MET 728 Cb 0.07 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 1xr2 h MET 728 CO -0.09 0.69 0.35 0.00 1.06 0.00 0.00 176.91 178.91 1xr2 h ARG 729 N 1.07 0.71 -0.05 1.72 3.08 -0.79 -2.35 114.38 117.77 1xr2 h ARG 729 Ca 0.42 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.37 1xr2 h ARG 729 Cb 0.23 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1xr2 h ARG 729 CO -0.19 0.48 -0.19 0.93 -1.07 0.00 0.00 179.97 179.93 1xr2 h GLU 730 N 0.73 0.22 0.00 0.04 4.39 -0.69 -3.51 114.58 115.76 1xr2 h GLU 730 Ca 0.20 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1xr2 h GLU 730 Cb -0.06 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1xr2 h GLU 730 CO -0.04 0.81 0.00 0.36 -1.16 0.00 0.00 179.01 178.98