#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xdj s LYS 2 N 0.00 4.22 -0.19 -0.78 2.20 -0.96 -4.88 119.74 119.35 1xdj s LYS 2 Ca 0.00 2.29 -0.06 0.00 -0.36 0.00 0.00 55.97 57.83 1xdj s LYS 2 Cb 0.00 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1xdj s LYS 2 CO 0.00 -0.66 0.04 0.00 -0.36 0.00 0.00 175.35 174.36 1xdj s ALA 3 N 2.11 3.25 0.29 3.13 0.00 -1.26 -1.33 121.76 127.94 1xdj s ALA 3 Ca 0.71 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.93 1xdj s ALA 3 Cb -0.40 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 1xdj s ALA 3 CO 0.31 0.05 -0.04 0.71 0.00 0.00 0.00 175.76 176.80 1xdj s TYR 4 N 0.62 2.57 -0.28 0.00 2.02 0.64 -1.76 117.35 121.16 1xdj s TYR 4 Ca 0.02 -0.30 -0.24 0.00 -0.37 0.00 0.00 57.07 56.17 1xdj s TYR 4 Cb -0.13 -1.23 0.09 0.00 -0.40 0.00 0.00 41.96 40.29 1xdj s TYR 4 CO 0.02 0.60 0.85 0.00 -1.57 0.00 0.00 175.55 175.45 1xdj s ALA 5 N -2.41 -1.87 0.11 3.71 0.00 -1.26 -4.06 121.76 115.97 1xdj s ALA 5 Ca 0.32 1.99 -0.14 0.00 0.00 0.00 0.00 51.96 54.13 1xdj s ALA 5 Cb -0.05 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.79 1xdj s ALA 5 CO 0.19 -0.30 0.33 -0.59 0.00 0.00 0.00 175.76 175.39 1xdj s PHE 6 N 0.40 -0.09 0.00 0.00 -0.71 -1.26 -4.51 117.98 111.80 1xdj s PHE 6 Ca 0.01 -0.24 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 1xdj s PHE 6 Cb -0.05 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.91 1xdj s PHE 6 CO -0.03 -0.64 0.00 0.41 -1.34 0.00 0.00 175.22 173.62 1xdj n GLY 7 N -0.10 0.58 3.63 1.99 0.00 -1.26 -2.24 105.19 107.80 1xdj n GLY 7 Ca -0.16 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.38 1xdj n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xdj n PHE 8 N -2.83 1.91 -1.46 1.61 -0.00 -1.26 0.12 117.46 115.55 1xdj n PHE 8 Ca 0.00 0.46 -0.48 0.00 -0.00 0.00 0.00 57.45 57.42 1xdj n PHE 8 Cb 0.00 -2.44 -0.03 0.00 -0.00 0.00 0.00 39.48 37.01 1xdj n PHE 8 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1xdj n PRO 9 N 2.78 0.35 0.00 -7.13 -0.02 -1.26 -4.76 135.00 124.96 1xdj n PRO 9 Ca 0.17 0.12 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 1xdj n PRO 9 Cb 0.25 -1.27 0.05 0.00 -0.02 0.00 0.00 33.50 32.52 1xdj n PRO 9 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1xdj n LYS 10 N 1.03 1.60 0.18 -0.52 2.85 -1.26 -4.61 118.16 117.43 1xdj n LYS 10 Ca 0.16 -1.36 0.05 0.00 -1.05 0.00 0.00 58.31 56.12 1xdj n LYS 10 Cb 0.25 -1.35 0.27 0.00 -0.65 0.00 0.00 35.03 33.55 1xdj n LYS 10 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 177.40 176.51 1xdj h ILE 11 N 3.10 0.82 0.00 0.58 3.07 -1.98 -3.43 117.51 119.67 1xdj h ILE 11 Ca 0.00 -1.65 0.00 0.00 1.55 0.00 0.00 64.86 64.76 1xdj h ILE 11 Cb 0.72 2.04 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 1xdj h ILE 11 CO 0.00 0.38 0.00 0.61 -1.05 0.00 0.00 178.15 178.09 1xdj n GLY 12 N 0.50 1.02 0.23 0.16 0.00 -1.26 -1.55 105.19 104.29 1xdj n GLY 12 Ca 0.00 -1.75 0.16 0.00 0.00 0.00 0.00 46.02 44.43 1xdj n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xdj h GLU 13 N 0.00 0.00 0.00 1.61 5.08 -1.98 -2.69 114.58 116.60 1xdj h GLU 13 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1xdj h GLU 13 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1xdj h GLU 13 CO 0.00 0.00 -0.28 1.63 -1.00 0.00 0.00 179.01 179.36 1xdj n LYS 14 N -2.84 1.33 -3.88 2.33 5.02 -1.26 -4.95 118.16 113.91 1xdj n LYS 14 Ca 0.01 -2.83 -0.29 0.00 -2.02 0.00 0.00 58.31 53.18 1xdj n LYS 14 Cb 0.29 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1xdj n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xdj n ARG 15 N -1.18 -5.85 0.25 1.97 1.74 -1.02 -4.85 116.66 107.72 1xdj n ARG 15 Ca 0.16 0.63 0.07 0.00 -0.77 0.00 0.00 57.85 57.94 1xdj n ARG 15 Cb 0.68 -5.54 0.60 0.00 -1.02 0.00 0.00 32.46 27.18 1xdj n ARG 15 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1xdj h GLU 16 N -2.17 0.00 -0.48 5.56 3.07 -1.62 -2.36 114.58 116.58 1xdj h GLU 16 Ca -0.58 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.26 1xdj h GLU 16 Cb 1.38 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.26 1xdj h GLU 16 CO 0.66 0.08 0.22 0.35 -1.40 0.00 0.00 179.01 178.92 1xdj h PHE 17 N 0.00 0.70 -0.62 4.33 3.04 -1.55 0.40 116.94 123.25 1xdj h PHE 17 Ca -0.00 -0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.84 1xdj h PHE 17 Cb 0.14 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 1xdj h PHE 17 CO 0.00 0.56 0.09 -0.22 -2.02 0.00 0.00 178.31 176.73 1xdj h LYS 18 N 0.63 1.01 -0.30 1.11 3.64 -1.66 -1.69 116.57 119.31 1xdj h LYS 18 Ca 0.16 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1xdj h LYS 18 Cb 0.13 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1xdj h LYS 18 CO -0.02 0.93 -0.12 0.87 -2.27 0.00 0.00 179.45 178.84 1xdj h LYS 19 N 0.95 0.62 -0.75 1.90 1.57 -1.21 -0.17 116.57 119.46 1xdj h LYS 19 Ca 0.19 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1xdj h LYS 19 Cb 0.42 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1xdj h LYS 19 CO 0.01 0.83 0.26 0.00 -0.57 0.00 0.00 179.45 179.98 1xdj h ALA 20 N 0.77 1.04 0.07 3.86 0.00 -0.81 0.24 119.26 124.43 1xdj h ALA 20 Ca 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xdj h ALA 20 Cb 0.63 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xdj h ALA 20 CO 0.04 0.66 -0.03 1.25 0.00 0.00 0.00 179.25 181.17 1xdj h LEU 21 N 1.11 -0.08 -1.15 0.00 5.85 -1.21 -1.82 115.31 118.01 1xdj h LEU 21 Ca 0.25 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1xdj h LEU 21 Cb 0.27 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1xdj h LEU 21 CO -0.01 0.20 -0.32 -0.33 -0.34 0.00 0.00 178.44 177.64 1xdj h GLU 22 N -0.36 0.00 -0.25 1.25 5.08 -0.83 -1.87 114.58 117.60 1xdj h GLU 22 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1xdj h GLU 22 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xdj h GLU 22 CO 0.01 0.32 -0.51 -0.44 -1.00 0.00 0.00 179.01 177.39 1xdj h ASP 23 N 0.00 0.89 -0.13 1.42 3.45 -0.43 -2.16 116.42 119.45 1xdj h ASP 23 Ca -0.00 -0.54 -0.02 0.00 0.43 0.00 0.00 57.03 56.89 1xdj h ASP 23 Cb 0.76 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1xdj h ASP 23 CO 0.04 1.27 -0.00 0.15 -1.57 0.00 0.00 179.24 179.12 1xdj h PHE 24 N 0.54 0.25 -0.74 4.55 3.57 -1.13 0.19 116.94 124.17 1xdj h PHE 24 Ca 0.01 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1xdj h PHE 24 Cb 1.12 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 1xdj h PHE 24 CO 0.08 0.48 0.49 -1.49 -2.23 0.00 0.00 178.31 175.63 1xdj h TRP 25 N -0.04 0.93 0.00 0.41 6.55 -1.38 -2.11 115.95 120.31 1xdj h TRP 25 Ca 0.04 0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.86 1xdj h TRP 25 Cb 0.38 -0.31 -0.00 0.00 -0.86 0.00 0.00 29.16 28.36 1xdj h TRP 25 CO 0.04 0.59 -0.15 1.57 -1.05 0.00 0.00 178.44 179.43 1xdj h LYS 26 N 1.00 0.00 0.00 0.49 2.10 -1.38 -3.47 116.57 115.32 1xdj h LYS 26 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1xdj h LYS 26 Cb -0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 1xdj h LYS 26 CO -0.06 0.15 0.00 0.41 -2.00 0.00 0.00 179.45 177.96 1xdj n GLY 27 N 0.35 0.98 0.21 0.07 0.00 -0.75 -4.98 105.19 101.06 1xdj n GLY 27 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1xdj n GLY 27 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xdj h LYS 28 N 3.69 0.00 -4.20 1.61 3.64 -0.89 -3.45 116.57 116.97 1xdj h LYS 28 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1xdj h LYS 28 Cb 0.00 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 31.63 1xdj h LYS 28 CO 0.00 0.28 -0.70 0.96 -2.27 0.00 0.00 179.45 177.72 1xdj s ILE 29 N -3.73 0.26 0.75 2.00 -4.36 -1.10 -4.99 121.20 110.02 1xdj s ILE 29 Ca -0.00 -1.28 -0.08 0.00 -0.26 0.00 0.00 60.65 59.03 1xdj s ILE 29 Cb 0.11 -0.79 0.08 0.00 1.25 0.00 0.00 42.46 43.11 1xdj s ILE 29 CO 0.66 -0.65 1.07 0.42 0.24 0.00 0.00 174.94 176.67 1xdj s THR 30 N -2.32 2.19 0.31 8.37 -4.23 -1.26 -4.44 115.64 114.26 1xdj s THR 30 Ca -0.06 -0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.24 1xdj s THR 30 Cb -0.04 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 71.02 1xdj s THR 30 CO -0.04 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 175.85 1xdj h GLU 31 N -0.77 0.75 -0.12 3.99 4.81 -1.98 0.98 114.58 122.23 1xdj h GLU 31 Ca -0.44 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 1xdj h GLU 31 Cb 1.31 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1xdj h GLU 31 CO 0.58 0.64 0.05 0.93 -0.73 0.00 0.00 179.01 180.48 1xdj h GLU 32 N 0.74 0.18 -0.64 1.92 5.08 -1.99 0.30 114.58 120.16 1xdj h GLU 32 Ca 0.17 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1xdj h GLU 32 Cb 0.20 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1xdj h GLU 32 CO -0.01 0.26 0.27 1.96 -1.00 0.00 0.00 179.01 180.49 1xdj h GLN 33 N 0.05 0.92 -0.12 2.33 4.20 -1.84 -0.63 115.11 120.02 1xdj h GLN 33 Ca 0.04 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1xdj h GLN 33 Cb 0.15 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1xdj h GLN 33 CO -0.00 0.74 0.06 0.35 -0.67 0.00 0.00 178.83 179.30 1xdj h PHE 34 N 0.91 0.17 -0.48 2.96 3.57 -0.34 -1.32 116.94 122.41 1xdj h PHE 34 Ca 0.22 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1xdj h PHE 34 Cb 0.15 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1xdj h PHE 34 CO 0.01 0.23 0.26 0.93 -2.23 0.00 0.00 178.31 177.52 1xdj h GLU 35 N 0.06 0.51 -0.64 1.11 4.39 -0.00 -2.08 114.58 117.93 1xdj h GLU 35 Ca 0.04 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1xdj h GLU 35 Cb 0.13 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 1xdj h GLU 35 CO -0.00 0.34 0.34 0.93 -1.16 0.00 0.00 179.01 179.45 1xdj h GLU 36 N 0.52 0.61 -0.66 2.33 5.08 -0.87 0.63 114.58 122.22 1xdj h GLU 36 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1xdj h GLU 36 Cb 0.07 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1xdj h GLU 36 CO -0.12 0.40 0.00 0.39 -1.00 0.00 0.00 179.01 178.69 1xdj n GLU 37 N -4.83 0.13 0.00 2.33 -0.58 -0.52 -1.99 120.64 115.19 1xdj n GLU 37 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1xdj n GLU 37 Cb 0.19 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 1xdj n GLU 37 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xdj n ASN 39 N 0.59 0.00 -0.15 1.62 3.02 0.22 -2.43 115.26 118.13 1xdj n ASN 39 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1xdj n ASN 39 Cb 0.04 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1xdj n ASN 39 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1xdj h LYS 40 N 0.00 0.98 -0.76 3.52 6.56 -1.63 -2.81 116.57 122.43 1xdj h LYS 40 Ca 0.00 -0.45 -0.03 0.00 -1.06 0.00 0.00 60.65 59.12 1xdj h LYS 40 Cb 0.00 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.61 1xdj h LYS 40 CO 0.00 1.12 0.37 -0.07 -2.06 0.00 0.00 179.45 178.80 1xdj h LEU 41 N 0.83 0.98 -1.00 2.94 -0.00 -1.76 -0.89 115.31 116.41 1xdj h LEU 41 Ca 0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1xdj h LEU 41 Cb 0.85 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1xdj h LEU 41 CO 0.08 0.82 0.00 0.54 -0.00 0.00 0.00 178.44 179.88 1xdj n ARG 42 N -4.32 0.00 -0.31 1.13 1.74 -1.06 -4.66 116.66 109.17 1xdj n ARG 42 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1xdj n ARG 42 Cb 0.13 -0.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 1xdj n ARG 42 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1xdj n TYR 44 N 0.46 -0.31 0.00 -1.55 4.19 -0.34 -4.55 117.16 115.06 1xdj n TYR 44 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1xdj n TYR 44 Cb 0.00 -0.47 0.00 0.00 0.49 0.00 0.00 39.34 39.36 1xdj n TYR 44 CO 0.00 0.00 0.00 1.33 0.91 0.00 0.00 176.86 179.10 1xdj n VAL 46 N -0.31 0.00 -0.03 2.97 0.24 -1.26 -2.63 118.33 117.32 1xdj n VAL 46 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1xdj n VAL 46 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 1xdj n VAL 46 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1xdj h GLU 47 N 0.00 0.17 -0.81 7.34 3.07 -1.95 0.32 114.58 122.72 1xdj h GLU 47 Ca 0.00 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1xdj h GLU 47 Cb 0.00 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.83 1xdj h GLU 47 CO 0.00 0.12 0.37 -0.91 -1.40 0.00 0.00 179.01 177.19 1xdj h ASN 48 N 0.18 1.07 0.71 1.42 2.35 -1.90 -2.62 115.58 116.79 1xdj h ASN 48 Ca 0.06 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1xdj h ASN 48 Cb 0.01 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.11 1xdj h ASN 48 CO -0.04 0.92 -0.34 1.88 -1.65 0.00 0.00 177.43 178.20 1xdj h TYR 49 N 1.16 -0.88 -0.91 1.19 0.05 -1.79 -3.17 116.97 112.62 1xdj h TYR 49 Ca 0.28 -0.02 0.26 0.00 0.05 0.00 0.00 58.73 59.29 1xdj h TYR 49 Cb 0.14 0.29 -0.15 0.00 1.01 0.00 0.00 36.73 38.02 1xdj h TYR 49 CO 0.01 -0.52 0.20 0.00 -1.05 0.00 0.00 178.16 176.81 1xdj h ARG 50 N -1.11 0.14 0.00 4.88 -0.00 -0.90 0.69 114.38 118.08 1xdj h ARG 50 Ca -0.10 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.37 1xdj h ARG 50 Cb 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.70 1xdj h ARG 50 CO 0.16 0.09 0.00 1.63 0.00 0.00 0.00 179.97 181.85 1xdj n LYS 51 N -5.29 0.02 0.00 0.04 5.02 -0.99 -4.09 118.16 112.87 1xdj n LYS 51 Ca 0.23 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1xdj n LYS 51 Cb 0.74 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1xdj n LYS 51 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xdj n ASN 52 N -1.58 2.51 -4.50 4.39 3.02 0.80 -5.04 115.26 114.86 1xdj n ASN 52 Ca 0.04 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.34 1xdj n ASN 52 Cb 0.18 0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.42 1xdj n ASN 52 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xdj s VAL 53 N -1.54 2.12 0.03 2.41 -7.23 0.21 -4.00 120.40 112.40 1xdj s VAL 53 Ca 0.00 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 1xdj s VAL 53 Cb 0.00 -2.54 -0.26 0.00 0.56 0.00 0.00 36.38 34.14 1xdj s VAL 53 CO 0.00 -0.26 0.97 0.44 -0.31 0.00 0.00 175.10 175.94 1xdj h ASP 54 N 2.12 0.28 -3.66 4.85 3.32 -1.63 -3.39 116.42 118.31 1xdj h ASP 54 Ca -0.41 -0.36 -0.65 0.00 0.02 0.00 0.00 57.03 55.63 1xdj h ASP 54 Cb 1.25 -0.09 -0.22 0.00 0.22 0.00 0.00 39.33 40.49 1xdj h ASP 54 CO 0.68 1.30 -0.62 -0.69 -1.72 0.00 0.00 179.24 178.19 1xdj s VAL 55 N -2.64 4.39 -0.38 -1.35 1.01 -1.00 -5.01 120.40 115.41 1xdj s VAL 55 Ca -0.06 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 1xdj s VAL 55 Cb 0.08 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1xdj s VAL 55 CO 0.85 0.33 0.26 -0.63 0.00 0.00 0.00 175.10 175.91 1xdj s ILE 56 N 1.63 5.09 0.85 2.22 1.09 -1.26 -4.33 121.20 126.48 1xdj s ILE 56 Ca 0.06 -0.58 -0.12 0.00 -1.10 0.00 0.00 60.65 58.92 1xdj s ILE 56 Cb -0.15 -3.76 0.11 0.00 -1.06 0.00 0.00 42.46 37.59 1xdj s ILE 56 CO 0.04 -0.20 1.18 -2.65 -0.10 0.00 0.00 174.94 173.22 1xdj n PRO 57 N 5.10 -0.04 -4.22 2.79 -0.02 -1.26 -1.51 135.00 135.84 1xdj n PRO 57 Ca -0.12 0.07 -0.13 0.00 -2.02 0.00 0.00 63.50 61.30 1xdj n PRO 57 Cb 0.48 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 1xdj n PRO 57 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xdj s SER 58 N -2.30 0.71 -1.34 2.55 0.15 -0.60 -4.65 113.70 108.23 1xdj s SER 58 Ca 0.71 -1.28 -0.08 0.00 0.70 0.00 0.00 55.95 56.00 1xdj s SER 58 Cb -0.27 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1xdj s SER 58 CO 0.53 -0.71 1.17 -3.20 1.20 0.00 0.00 173.24 172.23 1xdj n ASN 59 N -0.26 -6.04 -0.00 5.45 5.15 -1.26 -0.27 115.26 118.04 1xdj n ASN 59 Ca -0.03 -0.55 0.05 0.00 -0.60 0.00 0.00 54.58 53.46 1xdj n ASN 59 Cb 0.65 -5.04 -0.06 0.00 -0.53 0.00 0.00 39.78 34.80 1xdj n ASN 59 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xdj n GLU 60 N -4.93 2.85 -2.72 1.20 1.02 -1.26 -4.57 120.64 112.22 1xdj n GLU 60 Ca -0.01 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.67 1xdj n GLU 60 Cb 0.57 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1xdj n GLU 60 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1xdj n LEU 61 N -1.39 5.92 -4.76 -4.62 7.94 -1.26 -4.96 117.00 113.87 1xdj n LEU 61 Ca 0.01 -4.63 -0.40 0.00 -1.11 0.00 0.00 56.01 49.88 1xdj n LEU 61 Cb 0.19 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.57 1xdj n LEU 61 CO 0.21 1.10 0.88 -0.55 -1.11 0.00 0.00 177.39 177.92 1xdj s SER 62 N 1.59 7.05 0.00 1.96 0.15 -1.26 -4.92 113.70 118.27 1xdj s SER 62 Ca 0.40 2.46 0.31 0.00 0.70 0.00 0.00 55.95 59.82 1xdj s SER 62 Cb 0.02 -2.64 1.68 0.00 -1.71 0.00 0.00 66.02 63.38 1xdj s SER 62 CO 0.01 -0.32 2.11 -1.22 1.20 0.00 0.00 173.24 175.02 1xdj n TYR 63 N 1.03 0.00 0.12 3.44 4.01 -1.26 -4.70 117.16 119.80 1xdj n TYR 63 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1xdj n TYR 63 Cb 0.43 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1xdj n TYR 63 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1xdj n TYR 64 N -0.96 -3.48 -3.72 -0.72 4.19 -1.26 -4.98 117.16 106.23 1xdj n TYR 64 Ca 0.20 0.85 -0.12 0.00 3.31 0.00 0.00 57.90 62.15 1xdj n TYR 64 Cb 0.18 2.31 -0.11 0.00 0.49 0.00 0.00 39.34 42.21 1xdj n TYR 64 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1xdj s ASP 65 N -2.00 -0.46 0.38 2.98 3.68 -1.26 -3.97 116.67 116.02 1xdj s ASP 65 Ca 0.00 0.84 0.27 0.00 2.13 0.00 0.00 52.55 55.78 1xdj s ASP 65 Cb 0.00 0.78 0.86 0.00 -1.45 0.00 0.00 42.92 43.11 1xdj s ASP 65 CO 0.00 -0.17 1.77 2.19 0.13 0.00 0.00 175.17 179.10 1xdj h PHE 66 N 6.39 0.00 0.05 -5.34 -5.15 -1.96 -1.97 116.94 108.95 1xdj h PHE 66 Ca -0.32 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.26 1xdj h PHE 66 Cb 1.18 0.00 0.02 0.00 0.22 0.00 0.00 35.95 37.37 1xdj h PHE 66 CO 0.32 0.00 -0.75 0.28 -2.00 0.00 0.00 178.31 176.16 1xdj h VAL 67 N 0.00 1.42 -0.49 0.88 2.07 -1.96 -2.26 116.25 115.91 1xdj h VAL 67 Ca 0.00 -2.24 0.06 0.00 0.82 0.00 0.00 66.70 65.34 1xdj h VAL 67 Cb 0.68 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 33.14 1xdj h VAL 67 CO 0.00 0.65 0.18 0.25 0.02 0.00 0.00 177.57 178.68 1xdj h LEU 68 N -0.10 0.20 -0.50 2.57 5.85 -1.72 -0.06 115.31 121.55 1xdj h LEU 68 Ca -0.11 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1xdj h LEU 68 Cb 1.48 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.50 1xdj h LEU 68 CO 0.15 0.14 0.21 0.44 -0.34 0.00 0.00 178.44 179.03 1xdj h ASP 69 N 0.36 0.25 -1.00 1.25 3.32 -1.32 0.32 116.42 119.60 1xdj h ASP 69 Ca 0.23 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.42 1xdj h ASP 69 Cb 0.24 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 1xdj h ASP 69 CO -0.23 0.17 0.64 0.74 -1.72 0.00 0.00 179.24 178.84 1xdj h THR 70 N 0.40 1.03 -0.16 0.35 2.02 -0.68 -2.16 112.91 113.72 1xdj h THR 70 Ca 0.24 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1xdj h THR 70 Cb 0.22 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 1xdj h THR 70 CO -0.21 0.20 -0.01 0.00 0.37 0.00 0.00 175.52 175.87 1xdj h ALA 71 N 1.48 0.22 0.00 6.16 0.00 0.46 -2.62 119.26 124.96 1xdj h ALA 71 Ca 0.45 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xdj h ALA 71 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xdj h ALA 71 CO -0.20 -0.07 0.00 0.28 0.00 0.00 0.00 179.25 179.26 1xdj n VAL 72 N -4.73 0.06 0.00 0.00 0.31 -0.05 -1.16 118.33 112.77 1xdj n VAL 72 Ca -0.05 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1xdj n VAL 72 Cb 0.23 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1xdj n VAL 72 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xdj n VAL 74 N 1.01 0.00 -0.65 2.52 0.24 -0.99 -4.21 118.33 116.25 1xdj n VAL 74 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1xdj n VAL 74 Cb 0.03 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 1xdj n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xdj n GLY 75 N 0.00 0.75 3.08 7.63 0.00 -1.00 -1.02 105.19 114.63 1xdj n GLY 75 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xdj n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xdj n ALA 76 N -0.06 4.52 -3.65 4.61 0.00 -0.31 -4.88 120.51 120.75 1xdj n ALA 76 Ca 0.00 -3.78 -0.35 0.00 0.00 0.00 0.00 53.44 49.31 1xdj n ALA 76 Cb 0.00 -3.57 -0.14 0.00 0.00 0.00 0.00 19.45 15.74 1xdj n ALA 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xdj s VAL 77 N 4.06 2.98 0.33 0.00 1.01 -1.26 -4.54 120.40 122.98 1xdj s VAL 77 Ca 0.51 -1.35 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 1xdj s VAL 77 Cb 0.10 -2.69 -0.13 0.00 0.00 0.00 0.00 36.38 33.65 1xdj s VAL 77 CO -0.01 -0.08 0.90 -2.65 0.00 0.00 0.00 175.10 173.26 1xdj n PRO 78 N 4.63 1.13 0.11 2.72 -0.02 -1.26 -4.85 135.00 137.45 1xdj n PRO 78 Ca -0.13 0.40 0.16 0.00 -2.02 0.00 0.00 63.50 61.91 1xdj n PRO 78 Cb 0.44 -1.77 0.70 0.00 -0.02 0.00 0.00 33.50 32.85 1xdj n PRO 78 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1xdj h GLU 79 N 1.62 0.00 0.00 -0.52 9.09 -1.96 -1.23 114.58 121.58 1xdj h GLU 79 Ca -0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.01 1xdj h GLU 79 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1xdj h GLU 79 CO 0.58 0.00 0.00 0.07 0.05 0.00 0.00 179.01 179.71 1xdj h ARG 80 N 0.00 0.00 0.00 1.06 0.11 -2.00 -1.63 114.38 111.92 1xdj h ARG 80 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 1xdj h ARG 80 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1xdj h ARG 80 CO -0.00 0.00 -0.92 0.74 0.10 0.00 0.00 179.97 179.88 1xdj h PHE 81 N 0.00 0.00 0.00 4.08 0.04 -1.56 -3.50 116.94 116.00 1xdj h PHE 81 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xdj h PHE 81 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1xdj h PHE 81 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1xdj n GLY 82 N 1.21 -0.26 3.74 -1.45 0.00 -0.62 -4.80 105.19 103.01 1xdj n GLY 82 Ca 0.01 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 1xdj n GLY 82 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xdj s GLU 83 N 0.00 4.79 -0.46 1.61 -1.05 -1.26 -4.87 118.70 117.46 1xdj s GLU 83 Ca 0.00 1.46 -0.27 0.00 -0.15 0.00 0.00 54.97 56.01 1xdj s GLU 83 Cb 0.00 -3.31 -0.02 0.00 -0.44 0.00 0.00 34.13 30.36 1xdj s GLU 83 CO 0.00 0.42 1.85 -0.47 0.95 0.00 0.00 175.26 178.01 1xdj s TYR 84 N -0.77 1.72 -0.23 4.83 5.04 -1.26 -4.81 117.35 121.87 1xdj s TYR 84 Ca 0.43 0.76 0.20 0.00 -2.44 0.00 0.00 57.07 56.01 1xdj s TYR 84 Cb -0.25 -4.08 0.03 0.00 0.35 0.00 0.00 41.96 38.00 1xdj s TYR 84 CO 0.31 -2.61 1.13 0.00 -1.34 0.00 0.00 175.55 173.03 1xdj h ARG 85 N 14.13 0.00 0.00 4.97 2.47 -1.93 -3.50 114.38 130.52 1xdj h ARG 85 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1xdj h ARG 85 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1xdj h ARG 85 CO 1.12 0.15 0.00 0.41 0.56 0.00 0.00 179.97 182.21 1xdj n GLY 86 N 1.23 0.49 0.34 0.04 0.00 -1.26 -4.86 105.19 101.17 1xdj n GLY 86 Ca -0.02 -1.43 0.15 0.00 0.00 0.00 0.00 46.02 44.73 1xdj n GLY 86 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xdj h LEU 87 N 0.00 0.59 -0.16 0.99 3.38 -1.97 0.41 115.31 118.55 1xdj h LEU 87 Ca 0.00 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1xdj h LEU 87 Cb 0.00 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1xdj h LEU 87 CO 0.00 0.10 -0.28 0.77 0.09 0.00 0.00 178.44 179.12 1xdj h SER 88 N 0.56 -0.88 0.51 -0.43 4.64 -1.99 0.99 113.55 116.96 1xdj h SER 88 Ca 0.60 0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.94 1xdj h SER 88 Cb 1.11 0.38 -0.02 0.00 -0.31 0.00 0.00 62.40 63.57 1xdj h SER 88 CO -0.47 -0.32 -0.58 0.71 -0.87 0.00 0.00 176.83 175.30 1xdj h THR 89 N -0.34 1.41 -0.27 2.95 1.35 -1.33 -2.47 112.91 114.20 1xdj h THR 89 Ca 0.11 -1.97 -0.02 0.00 -0.55 0.00 0.00 66.41 63.99 1xdj h THR 89 Cb 0.50 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 1xdj h THR 89 CO -0.35 0.57 0.11 0.22 -0.25 0.00 0.00 175.52 175.82 1xdj h TYR 90 N 0.05 0.42 0.00 4.73 5.03 0.12 -2.68 116.97 124.63 1xdj h TYR 90 Ca -0.00 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.24 1xdj h TYR 90 Cb 1.04 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 39.19 1xdj h TYR 90 CO 0.01 0.42 -0.16 0.74 -1.32 0.00 0.00 178.16 177.84 1xdj h PHE 91 N 0.29 0.00 0.00 -3.82 0.05 0.10 -2.69 116.94 110.88 1xdj h PHE 91 Ca 0.09 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.88 1xdj h PHE 91 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.13 1xdj h PHE 91 CO -0.01 0.16 0.00 -0.25 -0.18 0.00 0.00 178.31 178.04 1xdj n ASP 92 N -3.26 1.06 0.00 2.17 8.00 -0.94 -0.37 116.55 123.22 1xdj n ASP 92 Ca 0.01 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1xdj n ASP 92 Cb 0.44 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1xdj n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xdj n ALA 94 N 0.70 0.00 -2.66 2.24 0.00 -1.01 -2.92 120.51 116.85 1xdj n ALA 94 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1xdj n ALA 94 Cb 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 1xdj n ALA 94 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1xdj s ARG 95 N 0.00 0.55 0.00 0.00 1.70 0.50 -4.76 118.95 116.94 1xdj s ARG 95 Ca 0.00 -0.81 0.00 0.00 -0.47 0.00 0.00 55.73 54.45 1xdj s ARG 95 Cb 0.00 0.21 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 1xdj s ARG 95 CO 0.00 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.50 1xdj n GLY 96 N 0.79 1.11 0.00 3.88 0.00 -1.26 -4.42 105.19 105.30 1xdj n GLY 96 Ca -0.19 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1xdj n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xdj n GLY 97 N 1.14 -0.22 0.03 -0.02 0.00 -1.26 -1.71 105.19 103.15 1xdj n GLY 97 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1xdj n GLY 97 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xdj n LYS 98 N -1.20 4.63 -1.09 1.61 0.00 -1.26 -5.08 118.16 115.77 1xdj n LYS 98 Ca 0.00 -0.14 -0.35 0.00 -0.00 0.00 0.00 58.31 57.82 1xdj n LYS 98 Cb 0.00 -0.74 0.09 0.00 -0.00 0.00 0.00 35.03 34.38 1xdj n LYS 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xdj n ALA 99 N -0.83 -2.05 -1.43 0.58 0.00 -0.69 -4.99 120.51 111.10 1xdj n ALA 99 Ca 0.01 -0.39 -0.32 0.00 0.00 0.00 0.00 53.44 52.74 1xdj n ALA 99 Cb 0.06 -1.80 0.06 0.00 0.00 0.00 0.00 19.45 17.77 1xdj n ALA 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xdj s LEU 100 N -0.18 3.28 0.00 0.00 1.43 -1.26 -4.99 118.68 116.96 1xdj s LEU 100 Ca 0.61 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 1xdj s LEU 100 Cb -0.30 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.38 1xdj s LEU 100 CO 0.62 -1.76 0.00 1.21 0.23 0.00 0.00 176.35 176.65 1xdj n GLU 101 N -2.76 -0.32 0.00 1.70 2.13 -1.26 -4.80 120.64 115.32 1xdj n GLU 101 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1xdj n GLU 101 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 1xdj n GLU 101 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1xdj n THR 103 N -1.80 0.00 -2.05 6.31 5.66 -0.46 -0.19 114.28 121.74 1xdj n THR 103 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1xdj n THR 103 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1xdj n THR 103 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1xdj s LYS 104 N -2.06 4.30 -0.64 1.09 1.02 -1.26 -0.08 119.74 122.11 1xdj s LYS 104 Ca 0.00 2.27 -0.25 0.00 0.02 0.00 0.00 55.97 58.01 1xdj s LYS 104 Cb 0.00 -3.08 0.05 0.00 -0.52 0.00 0.00 37.83 34.27 1xdj s LYS 104 CO 0.00 -0.31 1.06 0.12 -0.92 0.00 0.00 175.35 175.30 1xdj s PHE 105 N -0.63 2.60 0.00 3.18 5.36 0.77 -4.76 117.98 124.50 1xdj s PHE 105 Ca 0.54 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.34 1xdj s PHE 105 Cb -0.41 -4.34 0.00 0.00 -0.34 0.00 0.00 43.02 37.94 1xdj s PHE 105 CO 0.49 -1.66 0.00 1.19 -1.46 0.00 0.00 175.22 173.78 1xdj n PHE 106 N 8.13 0.00 -1.60 10.12 3.72 -1.26 -2.40 117.46 134.17 1xdj n PHE 106 Ca 0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.04 1xdj n PHE 106 Cb 0.47 0.03 0.06 0.00 -0.94 0.00 0.00 39.48 39.10 1xdj n PHE 106 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1xdj n ASN 107 N 1.31 7.57 -4.56 4.37 6.94 -1.26 -4.96 115.26 124.67 1xdj n ASN 107 Ca 0.00 -3.78 -0.29 0.00 -0.02 0.00 0.00 54.58 50.49 1xdj n ASN 107 Cb 0.00 -1.03 -0.09 0.00 -2.36 0.00 0.00 39.78 36.30 1xdj n ASN 107 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1xdj s THR 108 N -4.81 1.27 -1.34 5.53 -4.23 -1.01 -5.02 115.64 106.03 1xdj s THR 108 Ca 0.58 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.22 1xdj s THR 108 Cb 0.47 -2.50 0.49 0.00 1.34 0.00 0.00 72.50 72.30 1xdj s THR 108 CO -0.21 0.00 1.36 0.59 -0.54 0.00 0.00 174.62 175.82 1xdj n ASN 109 N -1.12 3.36 -4.87 3.99 3.02 -1.26 -4.41 115.26 113.97 1xdj n ASN 109 Ca -0.11 -2.28 -0.36 0.00 -0.03 0.00 0.00 54.58 51.81 1xdj n ASN 109 Cb 0.67 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 1xdj n ASN 109 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xdj s TYR 110 N -1.71 3.61 -0.10 3.10 6.14 -1.26 -4.54 117.35 122.60 1xdj s TYR 110 Ca 0.35 0.69 0.03 0.00 0.64 0.00 0.00 57.07 58.78 1xdj s TYR 110 Cb 0.22 -2.07 -0.01 0.00 0.42 0.00 0.00 41.96 40.51 1xdj s TYR 110 CO 0.18 0.62 -0.18 -1.01 0.64 0.00 0.00 175.55 175.80 1xdj s HIS 111 N -1.23 2.67 0.47 4.97 3.76 0.97 -0.16 115.29 126.75 1xdj s HIS 111 Ca 0.26 -0.64 0.06 0.00 -0.15 0.00 0.00 55.06 54.59 1xdj s HIS 111 Cb -0.14 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.81 1xdj s HIS 111 CO 0.14 -0.17 0.24 1.52 -0.85 0.00 0.00 174.74 175.62 1xdj s TYR 112 N 0.04 2.18 -0.21 1.40 1.13 0.88 -4.66 117.35 118.12 1xdj s TYR 112 Ca -0.07 -0.72 -0.09 0.00 -1.41 0.00 0.00 57.07 54.79 1xdj s TYR 112 Cb -0.15 -1.91 -0.04 0.00 -1.10 0.00 0.00 41.96 38.76 1xdj s TYR 112 CO 0.05 -0.05 0.11 -0.51 -2.51 0.00 0.00 175.55 172.64 1xdj s LEU 113 N -4.04 3.92 -0.29 -3.49 1.43 -1.26 -1.36 118.68 113.59 1xdj s LEU 113 Ca 0.34 0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 1xdj s LEU 113 Cb 0.01 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1xdj s LEU 113 CO 0.20 0.11 1.26 -0.69 0.23 0.00 0.00 176.35 177.45 1xdj s VAL 114 N 0.78 4.22 0.52 -1.59 1.01 0.73 -4.38 120.40 121.70 1xdj s VAL 114 Ca 0.06 1.40 -0.20 0.00 0.00 0.00 0.00 61.98 63.23 1xdj s VAL 114 Cb -0.13 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 1xdj s VAL 114 CO 0.02 -0.44 1.14 -2.84 0.00 0.00 0.00 175.10 172.98 1xdj s PRO 115 N 4.00 3.45 -0.30 2.72 0.02 -1.26 -4.33 135.00 139.30 1xdj s PRO 115 Ca 0.54 1.64 0.03 0.00 0.02 0.00 0.00 61.00 63.23 1xdj s PRO 115 Cb -0.16 -2.09 0.08 0.00 0.02 0.00 0.00 34.50 32.34 1xdj s PRO 115 CO 0.21 -0.78 -0.02 -1.21 -0.33 0.00 0.00 177.00 174.87 1xdj s GLU 116 N -3.16 1.95 -0.39 5.54 2.02 -1.26 -1.38 118.70 122.03 1xdj s GLU 116 Ca 0.71 -1.57 -0.29 0.00 0.02 0.00 0.00 54.97 53.83 1xdj s GLU 116 Cb -0.25 -3.08 0.02 0.00 0.10 0.00 0.00 34.13 30.92 1xdj s GLU 116 CO 0.28 -0.75 1.15 0.42 0.02 0.00 0.00 175.26 176.38 1xdj s ILE 117 N 1.04 4.30 -1.26 -1.63 -1.09 -0.66 -4.64 121.20 117.26 1xdj s ILE 117 Ca 0.00 1.43 0.17 0.00 -2.23 0.00 0.00 60.65 60.02 1xdj s ILE 117 Cb -0.20 -4.45 -0.07 0.00 -1.58 0.00 0.00 42.46 36.17 1xdj s ILE 117 CO -0.06 -0.71 0.81 -0.62 -1.23 0.00 0.00 174.94 173.13 1xdj n GLU 118 N 7.39 1.64 -3.93 2.79 1.02 -1.26 -4.48 120.64 123.82 1xdj n GLU 118 Ca 0.13 -0.53 -0.10 0.00 -0.02 0.00 0.00 57.16 56.64 1xdj n GLU 118 Cb 0.48 -1.29 -0.10 0.00 -0.02 0.00 0.00 31.44 30.51 1xdj n GLU 118 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xdj s THR 119 N -2.18 0.11 -1.47 2.62 -4.23 -1.26 -5.03 115.64 104.20 1xdj s THR 119 Ca 0.11 -0.94 0.30 0.00 -1.18 0.00 0.00 61.69 59.98 1xdj s THR 119 Cb 0.13 -0.63 0.54 0.00 1.34 0.00 0.00 72.50 73.88 1xdj s THR 119 CO 0.51 -0.52 2.05 -1.84 -0.54 0.00 0.00 174.62 174.28 1xdj n GLU 120 N 1.15 0.47 -3.84 3.99 0.00 -1.26 -4.76 120.64 116.40 1xdj n GLU 120 Ca -0.21 -0.02 -0.36 0.00 0.00 0.00 0.00 57.16 56.57 1xdj n GLU 120 Cb 0.57 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.38 1xdj n GLU 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1xdj s GLU 121 N -2.54 3.45 0.21 3.44 0.41 -1.26 -4.79 118.70 117.62 1xdj s GLU 121 Ca 0.29 -0.60 0.03 0.00 -0.41 0.00 0.00 54.97 54.29 1xdj s GLU 121 Cb 0.20 -3.16 -0.03 0.00 -1.78 0.00 0.00 34.13 29.36 1xdj s GLU 121 CO 0.46 -0.22 0.35 -0.06 -0.49 0.00 0.00 175.26 175.30 1xdj s PHE 122 N 1.53 3.47 0.02 1.61 0.08 -1.26 -4.98 117.98 118.45 1xdj s PHE 122 Ca 0.06 0.09 -0.26 0.00 0.12 0.00 0.00 56.93 56.94 1xdj s PHE 122 Cb -0.15 -1.65 0.06 0.00 -0.57 0.00 0.00 43.02 40.71 1xdj s PHE 122 CO -0.00 0.44 0.59 1.52 -0.10 0.00 0.00 175.22 177.67 1xdj s TYR 123 N -1.91 -0.53 -0.74 0.36 1.13 -0.19 -4.86 117.35 110.60 1xdj s TYR 123 Ca 0.35 0.73 -0.26 0.00 -1.41 0.00 0.00 57.07 56.48 1xdj s TYR 123 Cb -0.10 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.11 1xdj s TYR 123 CO 0.29 -0.65 1.96 -1.17 -2.51 0.00 0.00 175.55 173.47 1xdj s LEU 124 N -1.72 3.22 -0.01 -3.49 2.96 -1.26 -2.56 118.68 115.82 1xdj s LEU 124 Ca -0.07 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 1xdj s LEU 124 Cb -0.01 -2.54 -0.31 0.00 0.50 0.00 0.00 46.19 43.83 1xdj s LEU 124 CO 0.02 -2.64 0.82 0.25 -1.32 0.00 0.00 176.35 173.48 1xdj h LEU 125 N 17.55 0.59 -7.04 -0.68 5.85 -1.85 -3.47 115.31 126.26 1xdj h LEU 125 Ca -0.09 -0.78 0.01 0.00 0.84 0.00 0.00 57.88 57.87 1xdj h LEU 125 Cb 1.09 -0.19 -0.22 0.00 0.37 0.00 0.00 40.66 41.71 1xdj h LEU 125 CO 1.20 1.64 -0.11 -0.70 -0.34 0.00 0.00 178.44 180.14 1xdj s GLU 126 N -2.60 0.59 -1.15 1.25 2.12 -1.26 -5.03 118.70 112.62 1xdj s GLU 126 Ca -0.12 1.24 -0.07 0.00 0.36 0.00 0.00 54.97 56.38 1xdj s GLU 126 Cb 0.06 0.40 0.26 0.00 0.26 0.00 0.00 34.13 35.10 1xdj s GLU 126 CO 0.88 -0.18 1.57 -1.71 -0.54 0.00 0.00 175.26 175.28 1xdj n ASN 127 N 4.81 5.88 0.01 -1.70 2.85 -1.26 -4.76 115.26 121.09 1xdj n ASN 127 Ca -0.16 -3.27 0.08 0.00 -0.11 0.00 0.00 54.58 51.12 1xdj n ASN 127 Cb 0.54 -1.36 0.49 0.00 1.24 0.00 0.00 39.78 40.69 1xdj n ASN 127 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1xdj h LYS 128 N 5.72 0.39 0.00 1.20 1.57 -1.98 -1.68 116.57 121.79 1xdj h LYS 128 Ca 0.26 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.96 1xdj h LYS 128 Cb 0.65 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1xdj h LYS 128 CO 1.39 0.26 -0.31 -1.35 -0.57 0.00 0.00 179.45 178.87 1xdj h PRO 129 N 0.40 0.00 0.07 3.15 0.11 -1.96 -1.72 132.00 132.05 1xdj h PRO 129 Ca 0.18 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.18 1xdj h PRO 129 Cb 0.20 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.33 1xdj h PRO 129 CO -0.04 0.31 -0.46 1.25 -0.21 0.00 0.00 178.00 178.84 1xdj h LEU 130 N 0.00 0.29 -0.50 2.35 5.85 -1.71 -2.26 115.31 119.33 1xdj h LEU 130 Ca -0.00 -0.93 0.10 0.00 0.84 0.00 0.00 57.88 57.88 1xdj h LEU 130 Cb 0.59 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 1xdj h LEU 130 CO 0.04 1.19 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.74 1xdj h GLU 131 N -0.57 -0.14 -0.26 1.25 5.08 -1.29 0.16 114.58 118.80 1xdj h GLU 131 Ca -0.08 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1xdj h GLU 131 Cb 1.33 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1xdj h GLU 131 CO 0.09 -0.10 -0.09 0.22 -1.00 0.00 0.00 179.01 178.13 1xdj h ASP 132 N -0.15 0.40 0.79 1.42 3.58 -1.40 -0.95 116.42 120.11 1xdj h ASP 132 Ca 0.22 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1xdj h ASP 132 Cb 0.50 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1xdj h ASP 132 CO -0.59 0.54 -0.38 0.22 -2.88 0.00 0.00 179.24 176.16 1xdj h TYR 133 N 0.40 -0.98 -0.07 0.28 3.20 -0.25 -1.89 116.97 117.66 1xdj h TYR 133 Ca 0.08 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1xdj h TYR 133 Cb 0.41 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1xdj h TYR 133 CO 0.01 -0.61 0.17 -0.07 -1.64 0.00 0.00 178.16 176.03 1xdj h LEU 134 N -1.20 0.00 0.44 2.82 3.38 -0.71 0.16 115.31 120.20 1xdj h LEU 134 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1xdj h LEU 134 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1xdj h LEU 134 CO 0.18 0.00 -0.21 0.15 0.09 0.00 0.00 178.44 178.64 1xdj h PHE 135 N 0.00 -0.55 0.00 1.13 3.04 -0.80 0.11 116.94 119.87 1xdj h PHE 135 Ca 0.03 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1xdj h PHE 135 Cb 0.38 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1xdj h PHE 135 CO 0.00 -0.27 0.00 1.19 -2.02 0.00 0.00 178.31 177.21 1xdj n PHE 136 N -5.18 0.00 -0.01 0.41 3.01 -0.75 -1.95 117.46 113.00 1xdj n PHE 136 Ca -0.09 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.21 1xdj n PHE 136 Cb 0.27 -0.48 -0.13 0.00 -0.01 0.00 0.00 39.48 39.13 1xdj n PHE 136 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1xdj h LYS 137 N 0.00 0.17 -0.18 -1.08 1.79 -0.43 1.78 116.57 118.62 1xdj h LYS 137 Ca 0.00 -0.26 0.02 0.00 -2.18 0.00 0.00 60.65 58.22 1xdj h LYS 137 Cb 0.21 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1xdj h LYS 137 CO 0.00 1.08 0.06 0.66 -1.08 0.00 0.00 179.45 180.17 1xdj h SER 138 N -0.60 0.07 0.00 0.86 4.64 -0.11 0.20 113.55 118.61 1xdj h SER 138 Ca -0.07 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1xdj h SER 138 Cb 1.27 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1xdj h SER 138 CO 0.08 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.39 1xdj n LYS 139 N -5.05 0.38 -3.29 4.77 4.01 -0.94 -4.80 118.16 113.24 1xdj n LYS 139 Ca -0.03 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.60 1xdj n LYS 139 Cb 0.07 -1.01 0.06 0.00 -0.51 0.00 0.00 35.03 33.64 1xdj n LYS 139 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xdj n GLY 140 N -0.10 -0.15 2.95 0.72 0.00 0.69 -5.04 105.19 104.26 1xdj n GLY 140 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1xdj n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xdj s ILE 141 N -3.24 0.62 -0.18 -0.61 1.01 0.60 -4.99 121.20 114.42 1xdj s ILE 141 Ca 0.40 -0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.64 1xdj s ILE 141 Cb -0.18 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1xdj s ILE 141 CO 0.54 0.22 0.50 -1.61 0.00 0.00 0.00 174.94 174.58 1xdj s GLU 142 N 0.46 4.23 0.08 2.79 0.41 -1.26 -3.26 118.70 122.16 1xdj s GLU 142 Ca -0.06 0.41 0.05 0.00 -0.41 0.00 0.00 54.97 54.95 1xdj s GLU 142 Cb -0.10 -3.52 -0.03 0.00 -1.78 0.00 0.00 34.13 28.69 1xdj s GLU 142 CO 0.00 -0.05 -0.14 0.95 -0.49 0.00 0.00 175.26 175.53 1xdj s THR 143 N 1.31 1.14 -0.43 3.63 -4.23 -1.26 -4.53 115.64 111.26 1xdj s THR 143 Ca 0.24 -1.35 -0.14 0.00 -1.18 0.00 0.00 61.69 59.26 1xdj s THR 143 Cb -0.15 -1.13 0.05 0.00 1.34 0.00 0.00 72.50 72.61 1xdj s THR 143 CO 0.10 -0.24 0.33 0.00 -0.54 0.00 0.00 174.62 174.26 1xdj s ALA 144 N -1.37 3.48 0.21 3.99 0.00 -0.57 -4.83 121.76 122.67 1xdj s ALA 144 Ca -0.01 -1.92 -0.32 0.00 0.00 0.00 0.00 51.96 49.72 1xdj s ALA 144 Cb -0.09 -2.92 -0.15 0.00 0.00 0.00 0.00 23.12 19.96 1xdj s ALA 144 CO 0.02 -1.58 1.22 -2.30 0.00 0.00 0.00 175.76 173.12 1xdj n PRO 145 N 5.14 1.45 -3.44 0.00 -0.02 -1.24 -1.55 135.00 135.33 1xdj n PRO 145 Ca -0.12 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 1xdj n PRO 145 Cb 0.45 -2.04 -0.09 0.00 -0.02 0.00 0.00 33.50 31.80 1xdj n PRO 145 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1xdj s TRP 146 N -0.27 3.25 0.21 6.00 -0.00 0.63 -0.76 118.94 128.00 1xdj s TRP 146 Ca 0.70 -0.81 0.09 0.00 -0.00 0.00 0.00 56.10 56.08 1xdj s TRP 146 Cb -0.77 -2.86 -0.05 0.00 -0.00 0.00 0.00 33.47 29.79 1xdj s TRP 146 CO 0.52 -0.70 -0.18 0.14 -0.00 0.00 0.00 176.95 176.74 1xdj s VAL 147 N 1.64 2.00 -0.18 5.86 -7.23 -0.11 -4.77 120.40 117.62 1xdj s VAL 147 Ca 0.04 -2.16 -0.20 0.00 -1.81 0.00 0.00 61.98 57.85 1xdj s VAL 147 Cb -0.22 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1xdj s VAL 147 CO 0.08 -0.42 0.59 -0.63 -0.31 0.00 0.00 175.10 174.41 1xdj s ILE 148 N -2.46 5.06 0.99 -0.62 -1.09 -1.26 -0.18 121.20 121.64 1xdj s ILE 148 Ca 0.22 1.13 -0.14 0.00 -2.23 0.00 0.00 60.65 59.63 1xdj s ILE 148 Cb -0.04 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1xdj s ILE 148 CO 0.09 0.16 0.35 0.61 -1.23 0.00 0.00 174.94 174.92 1xdj n GLY 149 N 3.72 -2.07 0.25 6.18 0.00 0.83 -4.77 105.19 109.34 1xdj n GLY 149 Ca -0.03 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 1xdj n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xdj h PRO 150 N -1.69 0.63 -0.03 1.61 0.13 -1.96 -2.43 132.00 128.26 1xdj h PRO 150 Ca -0.46 -0.24 -0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1xdj h PRO 150 Cb 1.30 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xdj h PRO 150 CO 0.35 0.80 -0.00 0.35 -0.23 0.00 0.00 178.00 179.28 1xdj h PHE 151 N 0.55 0.05 -0.79 1.56 3.04 -1.94 -2.97 116.94 116.45 1xdj h PHE 151 Ca 0.08 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.99 1xdj h PHE 151 Cb 0.68 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.14 1xdj h PHE 151 CO 0.03 0.35 0.35 1.15 -2.02 0.00 0.00 178.31 178.17 1xdj h THR 152 N -0.26 1.25 -0.68 4.41 2.02 -1.86 -1.30 112.91 116.48 1xdj h THR 152 Ca 0.01 -0.75 0.05 0.00 0.77 0.00 0.00 66.41 66.49 1xdj h THR 152 Cb 0.33 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 1xdj h THR 152 CO 0.00 0.31 0.40 0.15 0.37 0.00 0.00 175.52 176.75 1xdj h PHE 153 N 1.13 0.73 -0.26 3.16 3.57 -1.41 0.14 116.94 124.01 1xdj h PHE 153 Ca 0.27 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 1xdj h PHE 153 Cb 0.16 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1xdj h PHE 153 CO 0.02 0.37 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.12 1xdj h LEU 154 N 0.75 0.69 -2.34 0.59 4.07 -1.33 -2.84 115.31 114.90 1xdj h LEU 154 Ca 0.30 -0.48 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 1xdj h LEU 154 Cb 0.14 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 1xdj h LEU 154 CO -0.16 1.04 -0.02 0.22 -1.08 0.00 0.00 178.44 178.44 1xdj h TYR 155 N 0.36 0.00 -0.02 1.13 5.03 -0.60 -0.18 116.97 122.68 1xdj h TYR 155 Ca 0.04 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1xdj h TYR 155 Cb 0.85 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.13 1xdj h TYR 155 CO 0.08 0.02 -0.01 1.28 -1.32 0.00 0.00 178.16 178.20 1xdj n LEU 156 N -3.93 2.18 -4.90 2.82 4.77 -0.02 -4.69 117.00 113.23 1xdj n LEU 156 Ca -0.03 -0.73 -0.20 0.00 -0.03 0.00 0.00 56.01 55.02 1xdj n LEU 156 Cb 0.10 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1xdj n LEU 156 CO 0.29 0.36 0.03 -0.44 -1.33 0.00 0.00 177.39 176.30 1xdj s SER 157 N -2.02 5.14 0.16 -1.43 0.01 -0.08 -4.32 113.70 111.17 1xdj s SER 157 Ca 0.33 -0.70 0.07 0.00 1.31 0.00 0.00 55.95 56.96 1xdj s SER 157 Cb 0.20 -0.57 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 1xdj s SER 157 CO 0.33 -0.68 -0.15 -0.54 0.41 0.00 0.00 173.24 172.61 1xdj s LYS 158 N -4.17 1.19 -0.05 12.44 1.02 -0.48 -1.86 119.74 127.83 1xdj s LYS 158 Ca 0.49 -1.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.04 1xdj s LYS 158 Cb -0.04 -1.04 0.03 0.00 -0.52 0.00 0.00 37.83 36.26 1xdj s LYS 158 CO 0.29 0.19 0.02 0.50 -0.92 0.00 0.00 175.35 175.42 1xdj s ARG 159 N -3.18 0.36 -1.50 1.68 3.52 0.71 -1.66 118.95 118.88 1xdj s ARG 159 Ca 0.16 0.17 -0.11 0.00 -0.13 0.00 0.00 55.73 55.82 1xdj s ARG 159 Cb -0.03 -0.74 0.07 0.00 -1.56 0.00 0.00 34.95 32.70 1xdj s ARG 159 CO 0.05 -0.27 0.91 0.09 -0.81 0.00 0.00 175.30 175.27 1xdj n ASN 160 N 4.96 -4.03 0.00 -2.12 3.02 -1.26 -1.76 115.26 114.07 1xdj n ASN 160 Ca -0.10 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1xdj n ASN 160 Cb 0.50 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1xdj n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xdj n GLY 161 N -1.67 1.57 3.44 7.41 0.00 -1.26 -5.03 105.19 109.65 1xdj n GLY 161 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1xdj n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xdj s GLU 162 N -0.07 2.22 0.60 1.61 1.03 -0.72 -5.05 118.70 118.30 1xdj s GLU 162 Ca 0.00 -0.88 -0.19 0.00 0.03 0.00 0.00 54.97 53.93 1xdj s GLU 162 Cb 0.00 -2.23 -0.04 0.00 -0.80 0.00 0.00 34.13 31.07 1xdj s GLU 162 CO 0.00 0.57 1.21 0.91 -1.33 0.00 0.00 175.26 176.62 1xdj n TRP 163 N 1.93 1.71 -3.36 4.83 7.02 -1.26 -0.20 117.44 128.10 1xdj n TRP 163 Ca -0.16 0.43 -0.45 0.00 -1.02 0.00 0.00 57.50 56.30 1xdj n TRP 163 Cb 0.52 -2.26 -0.01 0.00 -2.42 0.00 0.00 31.31 27.14 1xdj n TRP 163 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1xdj s ILE 164 N -1.39 5.85 0.00 -0.99 1.01 -0.78 -4.75 121.20 120.16 1xdj s ILE 164 Ca 0.77 -3.38 0.00 0.00 0.00 0.00 0.00 60.65 58.04 1xdj s ILE 164 Cb -0.41 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.54 1xdj s ILE 164 CO 0.45 -1.17 0.00 0.54 0.00 0.00 0.00 174.94 174.77 1xdj n ARG 165 N 2.78 4.68 -2.92 2.79 1.74 -1.26 -3.96 116.66 120.51 1xdj n ARG 165 Ca 0.23 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.94 1xdj n ARG 165 Cb 0.40 -0.45 -0.06 0.00 -1.02 0.00 0.00 32.46 31.33 1xdj n ARG 165 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xdj s ARG 166 N -0.86 4.48 0.36 5.56 0.52 -1.26 -4.96 118.95 122.79 1xdj s ARG 166 Ca 0.00 1.15 0.10 0.00 -0.52 0.00 0.00 55.73 56.46 1xdj s ARG 166 Cb 0.00 -2.90 0.86 0.00 0.52 0.00 0.00 34.95 33.43 1xdj s ARG 166 CO 0.00 0.37 1.86 -1.35 0.02 0.00 0.00 175.30 176.20 1xdj h PRO 167 N 3.44 0.62 0.00 3.54 0.11 -1.95 -0.45 132.00 137.31 1xdj h PRO 167 Ca -0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1xdj h PRO 167 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1xdj h PRO 167 CO 0.65 0.41 -0.34 -2.95 -0.21 0.00 0.00 178.00 175.56 1xdj h ASN 168 N 0.64 0.00 0.00 -2.05 -1.07 -1.98 -0.98 115.58 110.15 1xdj h ASN 168 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.82 1xdj h ASN 168 Cb 0.79 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.04 1xdj h ASN 168 CO -0.21 0.34 0.00 0.00 0.07 0.00 0.00 177.43 177.64 1xdj n GLN 169 N -3.79 0.69 0.00 4.14 6.02 -0.18 -4.52 117.38 119.74 1xdj n GLN 169 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1xdj n GLN 169 Cb 0.42 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.51 1xdj n GLN 169 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1xdj n GLU 171 N -0.17 0.00 0.28 -1.09 2.13 -0.37 -4.43 120.64 116.99 1xdj n GLU 171 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1xdj n GLU 171 Cb 0.09 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.72 1xdj n GLU 171 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xdj h LYS 172 N 0.00 -0.78 -0.87 5.31 1.57 -1.87 -3.03 116.57 116.90 1xdj h LYS 172 Ca 0.00 0.05 0.18 0.00 -1.87 0.00 0.00 60.65 59.01 1xdj h LYS 172 Cb 0.00 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 1xdj h LYS 172 CO 0.00 -0.52 0.43 -0.07 -0.57 0.00 0.00 179.45 178.72 1xdj h LEU 173 N -0.81 0.46 -0.55 2.94 3.38 -1.88 -2.31 115.31 116.55 1xdj h LEU 173 Ca -0.05 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xdj h LEU 173 Cb 0.69 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 1xdj h LEU 173 CO 0.01 0.14 0.29 -0.07 0.09 0.00 0.00 178.44 178.90 1xdj h LEU 174 N 0.54 0.43 -0.42 1.67 3.38 -1.88 -1.68 115.31 117.35 1xdj h LEU 174 Ca 0.50 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.58 1xdj h LEU 174 Cb 0.82 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1xdj h LEU 174 CO -0.42 0.29 0.02 -0.33 0.09 0.00 0.00 178.44 178.09 1xdj h GLU 175 N 0.56 0.13 -0.00 1.13 5.08 -1.38 0.99 114.58 121.09 1xdj h GLU 175 Ca 0.24 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1xdj h GLU 175 Cb 0.13 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1xdj h GLU 175 CO -0.16 0.09 -0.40 1.03 -1.00 0.00 0.00 179.01 178.57 1xdj h SER 176 N 0.14 0.01 0.17 1.42 0.87 -1.52 -3.21 113.55 111.42 1xdj h SER 176 Ca 0.21 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1xdj h SER 176 Cb 0.29 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1xdj h SER 176 CO -0.33 0.41 -0.08 0.25 -0.53 0.00 0.00 176.83 176.54 1xdj h LEU 177 N 0.01 -0.20 -1.92 2.23 5.85 -0.16 -3.19 115.31 117.92 1xdj h LEU 177 Ca -0.00 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.45 1xdj h LEU 177 Cb 0.71 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1xdj h LEU 177 CO 0.05 0.35 0.41 -0.37 -0.34 0.00 0.00 178.44 178.54 1xdj h VAL 178 N -0.88 0.17 -0.69 1.05 -1.51 -0.95 0.16 116.25 113.60 1xdj h VAL 178 Ca -0.02 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.40 1xdj h VAL 178 Cb 0.51 0.63 -0.03 0.00 -2.13 0.00 0.00 31.29 30.27 1xdj h VAL 178 CO 0.04 0.00 0.24 0.28 -1.23 0.00 0.00 177.57 176.90 1xdj h SER 179 N 0.00 0.97 -0.27 4.19 0.02 -1.55 0.19 113.55 117.10 1xdj h SER 179 Ca 0.09 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 1xdj h SER 179 Cb 0.91 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 1xdj h SER 179 CO -0.00 0.90 -0.34 0.58 -1.14 0.00 0.00 176.83 176.83 1xdj h VAL 180 N 0.99 1.30 0.74 2.27 2.07 -0.77 -2.38 116.25 120.47 1xdj h VAL 180 Ca 0.22 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 1xdj h VAL 180 Cb 0.26 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1xdj h VAL 180 CO -0.01 0.49 -0.41 1.88 0.02 0.00 0.00 177.57 179.53 1xdj h TYR 181 N 0.45 -1.08 -0.81 1.57 0.05 -1.19 0.11 116.97 116.07 1xdj h TYR 181 Ca 0.03 -0.02 0.19 0.00 0.05 0.00 0.00 58.73 58.98 1xdj h TYR 181 Cb 0.92 0.38 -0.12 0.00 1.01 0.00 0.00 36.73 38.92 1xdj h TYR 181 CO 0.08 -0.64 0.28 0.87 -1.05 0.00 0.00 178.16 177.69 1xdj h LYS 182 N -1.07 0.33 -0.59 4.88 1.79 -0.68 0.50 116.57 121.73 1xdj h LYS 182 Ca -0.10 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1xdj h LYS 182 Cb 0.85 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 1xdj h LYS 182 CO 0.13 0.22 0.37 1.49 -1.08 0.00 0.00 179.45 180.57 1xdj h GLU 183 N 0.34 0.72 0.15 3.15 4.81 -0.96 -0.11 114.58 122.68 1xdj h GLU 183 Ca 0.48 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 1xdj h GLU 183 Cb 0.86 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1xdj h GLU 183 CO -0.52 0.47 -0.07 0.28 -0.73 0.00 0.00 179.01 178.44 1xdj h VAL 184 N 0.74 0.92 0.12 0.32 2.07 0.25 -3.10 116.25 117.57 1xdj h VAL 184 Ca 0.23 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1xdj h VAL 184 Cb -0.02 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1xdj h VAL 184 CO -0.08 0.08 -0.22 -0.26 0.02 0.00 0.00 177.57 177.11 1xdj h PHE 185 N -0.36 -0.57 -0.88 1.57 0.05 -0.03 -2.37 116.94 114.35 1xdj h PHE 185 Ca -0.02 0.01 0.22 0.00 3.82 0.00 0.00 57.97 62.00 1xdj h PHE 185 Cb 0.28 0.24 -0.13 0.00 2.00 0.00 0.00 35.95 38.34 1xdj h PHE 185 CO -0.02 -0.31 0.31 0.93 -0.18 0.00 0.00 178.31 179.04 1xdj h GLU 186 N -0.41 0.29 -0.74 1.51 5.08 -1.05 0.37 114.58 119.63 1xdj h GLU 186 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1xdj h GLU 186 Cb 0.43 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1xdj h GLU 186 CO -0.11 0.19 0.35 1.57 -1.00 0.00 0.00 179.01 180.01 1xdj h LYS 187 N 0.30 1.07 -0.33 2.33 -0.00 -1.38 0.14 116.57 118.70 1xdj h LYS 187 Ca 0.55 -0.16 -0.06 0.00 -0.00 0.00 0.00 60.65 60.98 1xdj h LYS 187 Cb 1.07 -0.19 -0.01 0.00 -0.00 0.00 0.00 32.23 33.10 1xdj h LYS 187 CO -0.58 0.84 -0.02 -0.07 -0.00 0.00 0.00 179.45 179.62 1xdj h LEU 188 N 1.04 0.59 -1.27 7.07 3.38 0.04 -2.62 115.31 123.55 1xdj h LEU 188 Ca 0.25 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1xdj h LEU 188 Cb 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1xdj h LEU 188 CO -0.03 0.77 0.27 0.58 0.09 0.00 0.00 178.44 180.12 1xdj h VAL 189 N 0.40 1.18 -0.07 1.22 2.07 -0.15 -0.80 116.25 120.10 1xdj h VAL 189 Ca 0.09 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1xdj h VAL 189 Cb 0.48 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1xdj h VAL 189 CO 0.02 0.21 0.03 -0.33 0.02 0.00 0.00 177.57 177.52 1xdj h GLU 190 N 0.77 0.10 -0.74 1.57 5.08 -0.81 -2.60 114.58 117.96 1xdj h GLU 190 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1xdj h GLU 190 Cb 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xdj h GLU 190 CO -0.03 0.22 0.00 0.09 -1.00 0.00 0.00 179.01 178.30 1xdj n ASN 191 N -4.95 0.75 0.00 1.42 3.02 -1.00 -4.79 115.26 109.70 1xdj n ASN 191 Ca -0.06 -1.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 1xdj n ASN 191 Cb 0.11 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1xdj n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xdj n GLY 192 N 0.14 0.90 3.67 7.41 0.00 -0.98 -5.00 105.19 111.33 1xdj n GLY 192 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1xdj n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xdj n LYS 194 N 7.00 0.02 -3.61 0.00 5.02 -1.26 -4.44 118.16 120.89 1xdj n LYS 194 Ca 0.22 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.37 1xdj n LYS 194 Cb 0.33 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1xdj n LYS 194 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xdj s GLU 195 N -3.01 0.84 -0.06 1.97 2.12 -1.26 -4.82 118.70 114.48 1xdj s GLU 195 Ca 0.10 0.82 0.04 0.00 0.36 0.00 0.00 54.97 56.29 1xdj s GLU 195 Cb 0.17 0.41 -0.00 0.00 0.26 0.00 0.00 34.13 34.97 1xdj s GLU 195 CO 0.73 -0.14 -0.19 0.42 -0.54 0.00 0.00 175.26 175.55 1xdj s ILE 196 N 0.07 1.60 -0.45 -3.70 1.01 0.85 -3.72 121.20 116.86 1xdj s ILE 196 Ca -0.02 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 1xdj s ILE 196 Cb -0.04 -1.39 0.05 0.00 0.01 0.00 0.00 42.46 41.10 1xdj s ILE 196 CO 0.02 0.46 0.39 -0.76 0.00 0.00 0.00 174.94 175.04 1xdj s LEU 197 N 0.19 5.39 -0.22 2.97 1.43 0.06 -0.18 118.68 128.31 1xdj s LEU 197 Ca -0.09 -1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 51.77 1xdj s LEU 197 Cb -0.14 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1xdj s LEU 197 CO 0.04 -0.60 0.14 -0.69 0.23 0.00 0.00 176.35 175.47 1xdj s VAL 198 N 1.75 5.32 -0.36 -1.59 1.01 1.00 -0.93 120.40 126.59 1xdj s VAL 198 Ca 0.06 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 1xdj s VAL 198 Cb -0.22 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1xdj s VAL 198 CO 0.08 0.38 0.25 0.20 0.00 0.00 0.00 175.10 176.02 1xdj s ASN 199 N 0.81 6.05 -0.54 3.32 0.01 0.75 -0.48 114.94 124.86 1xdj s ASN 199 Ca 0.07 -0.58 0.07 0.00 -0.71 0.00 0.00 52.86 51.71 1xdj s ASN 199 Cb -0.13 -2.14 0.32 0.00 0.41 0.00 0.00 41.25 39.71 1xdj s ASN 199 CO 0.02 -0.30 0.84 -0.62 -1.51 0.00 0.00 177.10 175.53 1xdj n GLU 200 N 5.11 2.51 0.11 -0.60 -0.58 -0.07 -0.12 120.64 126.99 1xdj n GLU 200 Ca -0.12 -4.45 0.10 0.00 -0.42 0.00 0.00 57.16 52.28 1xdj n GLU 200 Cb 0.49 -2.08 0.45 0.00 -0.57 0.00 0.00 31.44 29.74 1xdj n GLU 200 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1xdj n PRO 201 N 0.20 0.14 0.08 3.49 -0.04 -1.25 -2.25 135.00 135.38 1xdj n PRO 201 Ca 0.29 0.44 0.09 0.00 -0.04 0.00 0.00 63.50 64.29 1xdj n PRO 201 Cb 0.45 -1.81 0.41 0.00 -0.04 0.00 0.00 33.50 32.51 1xdj n PRO 201 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xdj n ALA 202 N -1.72 1.54 0.33 0.55 0.00 -1.26 -2.07 120.51 117.88 1xdj n ALA 202 Ca 0.01 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1xdj n ALA 202 Cb 0.17 -1.30 0.54 0.00 0.00 0.00 0.00 19.45 18.86 1xdj n ALA 202 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xdj h PHE 203 N 0.00 0.00 -0.01 0.00 -1.00 -1.84 -2.58 116.94 111.51 1xdj h PHE 203 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xdj h PHE 203 Cb 0.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1xdj h PHE 203 CO 0.00 0.00 -0.40 1.33 -1.61 0.00 0.00 178.31 177.63 1xdj n VAL 204 N -2.30 0.00 -1.51 -0.55 0.24 -0.88 -0.68 118.33 112.65 1xdj n VAL 204 Ca 0.01 -0.12 -0.29 0.00 -2.04 0.00 0.00 64.34 61.90 1xdj n VAL 204 Cb 0.18 0.57 0.15 0.00 -1.47 0.00 0.00 33.84 33.27 1xdj n VAL 204 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xdj s ASP 206 N -4.08 6.15 0.22 0.00 -0.00 -1.26 -4.36 116.67 113.35 1xdj s ASP 206 Ca 0.66 -1.34 -0.01 0.00 -0.00 0.00 0.00 52.55 51.86 1xdj s ASP 206 Cb -0.13 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.92 40.18 1xdj s ASP 206 CO 0.54 -1.83 0.43 -0.76 -0.00 0.00 0.00 175.17 173.55 1xdj s LEU 207 N 6.33 4.19 0.46 1.23 1.43 -1.26 -5.06 118.68 125.99 1xdj s LEU 207 Ca 0.53 0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 54.05 1xdj s LEU 207 Cb -0.01 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 1xdj s LEU 207 CO -0.06 -0.08 0.73 -1.61 0.23 0.00 0.00 176.35 175.56 1xdj s GLU 208 N -3.40 3.38 0.28 1.70 2.02 -1.26 -4.95 118.70 116.46 1xdj s GLU 208 Ca 0.39 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1xdj s GLU 208 Cb -0.11 -2.46 0.51 0.00 0.10 0.00 0.00 34.13 32.17 1xdj s GLU 208 CO 0.29 -0.19 1.85 -0.22 0.02 0.00 0.00 175.26 177.02 1xdj h LYS 209 N 0.33 1.03 -0.78 1.61 1.63 -2.00 0.54 116.57 118.92 1xdj h LYS 209 Ca -0.47 -0.06 0.14 0.00 -0.85 0.00 0.00 60.65 59.40 1xdj h LYS 209 Cb 1.22 -0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 32.57 1xdj h LYS 209 CO 0.61 0.68 0.51 0.00 -3.45 0.00 0.00 179.45 177.80 1xdj h ALA 210 N 1.51 1.99 -0.33 5.00 0.00 -2.00 -0.04 119.26 125.40 1xdj h ALA 210 Ca 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1xdj h ALA 210 Cb 0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1xdj h ALA 210 CO -0.23 -0.19 0.20 0.45 0.00 0.00 0.00 179.25 179.47 1xdj h HIS 211 N 0.52 0.44 -0.71 0.00 3.86 -1.26 -2.35 115.15 115.65 1xdj h HIS 211 Ca 0.38 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.52 1xdj h HIS 211 Cb 0.73 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 1xdj h HIS 211 CO -0.00 0.32 0.21 -1.49 0.86 0.00 0.00 177.93 177.83 1xdj h TRP 212 N 0.42 1.16 -0.88 2.45 4.06 -0.98 0.10 115.95 122.29 1xdj h TRP 212 Ca 0.12 -0.12 0.09 0.00 2.06 0.00 0.00 58.89 61.03 1xdj h TRP 212 Cb 0.02 -0.33 -0.07 0.00 -1.00 0.00 0.00 29.16 27.77 1xdj h TRP 212 CO -0.04 0.93 0.53 -0.44 -3.56 0.00 0.00 178.44 175.86 1xdj h ASP 213 N 1.06 0.79 -0.07 -3.49 3.32 -1.05 0.17 116.42 117.16 1xdj h ASP 213 Ca 0.23 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 1xdj h ASP 213 Cb 0.33 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1xdj h ASP 213 CO -0.00 0.47 -0.02 0.25 -1.72 0.00 0.00 179.24 178.21 1xdj h LEU 214 N 0.91 0.13 -0.93 1.55 5.85 -0.85 -3.08 115.31 118.89 1xdj h LEU 214 Ca 0.41 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1xdj h LEU 214 Cb 0.32 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1xdj h LEU 214 CO -0.22 0.48 0.60 0.40 -0.34 0.00 0.00 178.44 179.36 1xdj h ILE 215 N -0.22 1.12 -0.39 4.05 2.04 -0.22 -2.30 117.51 121.58 1xdj h ILE 215 Ca 0.02 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.55 1xdj h ILE 215 Cb 0.43 -0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.34 1xdj h ILE 215 CO 0.01 0.21 0.06 0.25 0.00 0.00 0.00 178.15 178.67 1xdj h LEU 216 N 1.13 -0.03 -1.28 1.44 5.85 -0.64 -1.72 115.31 120.06 1xdj h LEU 216 Ca 0.38 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 59.10 1xdj h LEU 216 Cb 0.07 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1xdj h LEU 216 CO -0.14 0.02 -0.35 0.78 -0.34 0.00 0.00 178.44 178.41 1xdj h ASN 217 N 0.18 0.00 -0.06 1.25 2.35 -1.38 -2.16 115.58 115.77 1xdj h ASN 217 Ca 0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1xdj h ASN 217 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1xdj h ASN 217 CO -0.27 0.35 0.02 0.58 -1.65 0.00 0.00 177.43 176.46 1xdj h VAL 218 N 0.00 1.14 0.00 2.81 2.07 -0.80 -2.92 116.25 118.55 1xdj h VAL 218 Ca -0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1xdj h VAL 218 Cb 0.67 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1xdj h VAL 218 CO 0.05 0.12 0.00 -1.22 0.02 0.00 0.00 177.57 176.53 1xdj n TYR 219 N -4.96 0.00 0.11 1.57 4.01 -0.77 -2.72 117.16 114.40 1xdj n TYR 219 Ca -0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.48 1xdj n TYR 219 Cb 0.11 -0.29 -0.15 0.00 -0.31 0.00 0.00 39.34 38.70 1xdj n TYR 219 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xdj h ARG 220 N 0.00 0.36 0.00 -0.72 3.08 -1.22 -2.67 114.38 113.22 1xdj h ARG 220 Ca 0.00 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 59.43 1xdj h ARG 220 Cb 0.27 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1xdj h ARG 220 CO 0.00 1.28 0.00 0.39 -1.07 0.00 0.00 179.97 180.57 1xdj n GLU 221 N -3.58 0.10 -0.04 0.04 1.02 -1.10 -2.55 120.64 114.53 1xdj n GLU 221 Ca -0.14 0.27 0.01 0.00 -0.02 0.00 0.00 57.16 57.28 1xdj n GLU 221 Cb 1.06 -1.66 0.03 0.00 -0.02 0.00 0.00 31.44 30.85 1xdj n GLU 221 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xdj n LEU 222 N -1.84 2.17 0.20 -4.62 4.77 -1.21 -4.76 117.00 111.71 1xdj n LEU 222 Ca 0.04 -1.97 0.15 0.00 -0.03 0.00 0.00 56.01 54.20 1xdj n LEU 222 Cb 0.24 -0.05 0.78 0.00 -2.33 0.00 0.00 43.42 42.06 1xdj n LEU 222 CO 0.19 0.54 1.13 0.77 -1.33 0.00 0.00 177.39 178.70 1xdj h SER 223 N 0.45 0.00 0.00 -1.43 4.64 -1.19 -2.34 113.55 113.68 1xdj h SER 223 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xdj h SER 223 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1xdj h SER 223 CO 0.00 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.12 1xdj n GLU 224 N -4.07 0.91 -4.00 4.77 0.00 -1.26 -4.82 120.64 112.17 1xdj n GLU 224 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.89 1xdj n GLU 224 Cb 0.28 -1.45 -0.05 0.00 0.00 0.00 0.00 31.44 30.22 1xdj n GLU 224 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1xdj s PHE 225 N -2.00 3.33 -1.41 -1.84 0.08 -0.88 -5.02 117.98 110.24 1xdj s PHE 225 Ca 0.39 0.09 -0.14 0.00 0.12 0.00 0.00 56.93 57.39 1xdj s PHE 225 Cb 0.18 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 41.06 1xdj s PHE 225 CO 0.30 0.53 2.09 -0.35 -0.10 0.00 0.00 175.22 177.70 1xdj n PRO 226 N -0.16 2.99 -3.65 0.24 -0.04 -1.26 -4.95 135.00 128.18 1xdj n PRO 226 Ca -0.07 -2.83 -0.35 0.00 -0.04 0.00 0.00 63.50 60.20 1xdj n PRO 226 Cb 0.53 -3.29 -0.05 0.00 -0.04 0.00 0.00 33.50 30.65 1xdj n PRO 226 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xdj s LEU 227 N 2.35 4.37 -0.17 1.53 1.02 -1.26 -0.10 118.68 126.41 1xdj s LEU 227 Ca 0.48 0.71 -0.02 0.00 0.02 0.00 0.00 54.13 55.32 1xdj s LEU 227 Cb 0.11 -2.78 0.05 0.00 0.02 0.00 0.00 46.19 43.59 1xdj s LEU 227 CO -0.05 0.23 0.00 -0.89 0.02 0.00 0.00 176.35 175.67 1xdj s THR 228 N -1.31 0.72 -0.07 5.49 2.01 0.75 -4.06 115.64 119.17 1xdj s THR 228 Ca 0.29 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.61 1xdj s THR 228 Cb -0.14 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 1xdj s THR 228 CO 0.16 -0.06 0.35 -0.69 -0.69 0.00 0.00 174.62 173.69 1xdj s VAL 229 N 1.78 5.18 0.01 3.82 1.01 -0.95 -0.00 120.40 131.25 1xdj s VAL 229 Ca -0.00 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1xdj s VAL 229 Cb -0.16 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1xdj s VAL 229 CO -0.07 0.51 -0.21 -0.36 0.00 0.00 0.00 175.10 174.96 1xdj s PHE 230 N -0.48 2.48 0.01 5.22 0.40 0.37 0.40 117.98 126.39 1xdj s PHE 230 Ca 0.21 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1xdj s PHE 230 Cb -0.15 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.89 1xdj s PHE 230 CO 0.09 0.15 -0.06 0.95 0.70 0.00 0.00 175.22 177.05 1xdj s THR 231 N -0.80 0.44 0.28 0.64 -4.23 -1.23 -0.90 115.64 109.85 1xdj s THR 231 Ca 0.12 -0.53 -0.20 0.00 -1.18 0.00 0.00 61.69 59.90 1xdj s THR 231 Cb -0.10 -0.43 0.05 0.00 1.34 0.00 0.00 72.50 73.36 1xdj s THR 231 CO 0.02 -0.08 0.84 -0.72 -0.54 0.00 0.00 174.62 174.15 1xdj s TYR 232 N -0.59 -0.01 0.00 3.99 -0.85 -1.26 -3.28 117.35 115.34 1xdj s TYR 232 Ca -0.03 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 1xdj s TYR 232 Cb -0.05 0.75 0.00 0.00 0.38 0.00 0.00 41.96 43.04 1xdj s TYR 232 CO 0.00 -1.24 0.00 0.66 -1.52 0.00 0.00 175.55 173.45 1xdj n TYR 233 N -0.53 0.00 0.00 -3.49 0.53 -1.26 -4.83 117.16 107.58 1xdj n TYR 233 Ca -0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.82 1xdj n TYR 233 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.91 1xdj n TYR 233 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 1xdj n ASP 234 N 0.00 0.00 -4.80 7.72 4.64 -1.26 -4.88 116.55 117.97 1xdj n ASP 234 Ca 0.00 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.07 1xdj n ASP 234 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.05 1xdj n ASP 234 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1xdj s SER 235 N 0.00 6.36 0.32 1.67 1.04 -1.26 -4.79 113.70 117.05 1xdj s SER 235 Ca 0.00 1.94 -0.29 0.00 0.48 0.00 0.00 55.95 58.09 1xdj s SER 235 Cb 0.00 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 1xdj s SER 235 CO 0.00 -0.77 1.24 0.68 0.98 0.00 0.00 173.24 175.37 1xdj s VAL 236 N -1.95 2.95 0.18 5.02 -7.23 -1.26 -4.40 120.40 113.71 1xdj s VAL 236 Ca 0.67 0.95 -0.14 0.00 -1.81 0.00 0.00 61.98 61.65 1xdj s VAL 236 Cb -0.17 -3.60 0.08 0.00 0.56 0.00 0.00 36.38 33.25 1xdj s VAL 236 CO 0.21 0.22 1.73 0.77 -0.31 0.00 0.00 175.10 177.72 1xdj h SER 237 N 3.45 0.07 -3.89 4.85 4.64 -1.10 -3.36 113.55 118.20 1xdj h SER 237 Ca -0.48 0.07 -0.63 0.00 -0.47 0.00 0.00 61.79 60.28 1xdj h SER 237 Cb 1.22 0.08 -0.40 0.00 -0.31 0.00 0.00 62.40 62.99 1xdj h SER 237 CO 0.66 0.07 -0.69 -0.62 -0.87 0.00 0.00 176.83 175.38 1xdj s ASP 238 N -5.34 4.21 0.03 4.97 -1.08 -1.26 -4.99 116.67 113.21 1xdj s ASP 238 Ca -0.13 -2.60 -0.12 0.00 -0.52 0.00 0.00 52.55 49.17 1xdj s ASP 238 Cb 0.14 -1.41 -0.06 0.00 -1.46 0.00 0.00 42.92 40.14 1xdj s ASP 238 CO 0.72 -0.29 1.20 0.22 0.52 0.00 0.00 175.17 177.54 1xdj h TYR 239 N 6.94 -0.53 -0.84 -5.34 5.03 -1.99 0.18 116.97 120.42 1xdj h TYR 239 Ca -0.06 0.01 0.21 0.00 2.58 0.00 0.00 58.73 61.47 1xdj h TYR 239 Cb 0.94 0.22 -0.13 0.00 1.55 0.00 0.00 36.73 39.31 1xdj h TYR 239 CO 0.48 -0.22 0.25 0.93 -1.32 0.00 0.00 178.16 178.28 1xdj h GLU 240 N -0.30 0.26 -0.48 1.82 4.39 -1.97 0.27 114.58 118.57 1xdj h GLU 240 Ca -0.01 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1xdj h GLU 240 Cb 0.28 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1xdj h GLU 240 CO -0.07 0.17 0.01 0.00 -1.16 0.00 0.00 179.01 177.96 1xdj h ALA 241 N 1.72 1.12 -0.20 3.43 0.00 -1.89 -3.04 119.26 120.39 1xdj h ALA 241 Ca 0.51 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1xdj h ALA 241 Cb 0.98 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1xdj h ALA 241 CO -0.59 0.57 -0.12 0.00 0.00 0.00 0.00 179.25 179.11 1xdj n VAL 243 N -4.54 0.00 0.77 0.00 0.24 -0.25 -2.26 118.33 112.29 1xdj n VAL 243 Ca -0.05 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.33 1xdj n VAL 243 Cb 0.34 -0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 32.08 1xdj n VAL 243 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1xdj n SER 244 N -0.83 1.01 -4.69 -1.34 7.64 -1.04 -4.77 113.62 109.59 1xdj n SER 244 Ca 0.08 -1.00 -0.39 0.00 1.01 0.00 0.00 58.87 58.57 1xdj n SER 244 Cb 0.04 0.87 0.03 0.00 -1.01 0.00 0.00 64.21 64.14 1xdj n SER 244 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xdj n LEU 245 N -1.06 4.47 -2.60 -3.43 4.32 -0.96 -4.80 117.00 112.95 1xdj n LEU 245 Ca 0.04 0.98 -0.10 0.00 -0.02 0.00 0.00 56.01 56.92 1xdj n LEU 245 Cb 0.28 -1.50 -0.05 0.00 -1.62 0.00 0.00 43.42 40.53 1xdj n LEU 245 CO 0.30 -0.95 1.39 -2.65 -1.22 0.00 0.00 177.39 174.27 1xdj n PRO 246 N -0.62 1.16 -4.81 3.23 -0.02 -1.26 -4.81 135.00 127.86 1xdj n PRO 246 Ca 0.10 -0.74 -0.27 0.00 -2.02 0.00 0.00 63.50 60.57 1xdj n PRO 246 Cb 0.43 -1.95 -0.15 0.00 -0.02 0.00 0.00 33.50 31.81 1xdj n PRO 246 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1xdj s VAL 247 N 2.72 1.72 0.05 -1.45 -7.23 -1.26 -4.56 120.40 110.39 1xdj s VAL 247 Ca 0.30 -1.12 0.08 0.00 -1.81 0.00 0.00 61.98 59.43 1xdj s VAL 247 Cb 0.12 -1.47 -0.22 0.00 0.56 0.00 0.00 36.38 35.36 1xdj s VAL 247 CO -0.01 0.32 1.03 0.07 -0.31 0.00 0.00 175.10 176.20 1xdj h LYS 248 N 5.12 0.02 -4.88 4.82 -0.00 -1.87 -3.44 116.57 116.35 1xdj h LYS 248 Ca -0.42 -0.04 -0.63 0.00 -0.00 0.00 0.00 60.65 59.57 1xdj h LYS 248 Cb 1.15 0.01 -0.35 0.00 -0.00 0.00 0.00 32.23 33.04 1xdj h LYS 248 CO 0.45 0.83 -0.85 1.03 -0.00 0.00 0.00 179.45 180.92 1xdj s ARG 249 N -2.66 2.57 -0.09 0.07 0.52 -1.26 0.12 118.95 118.22 1xdj s ARG 249 Ca -0.02 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.53 1xdj s ARG 249 Cb 0.09 -2.21 0.02 0.00 0.52 0.00 0.00 34.95 33.37 1xdj s ARG 249 CO 0.82 -0.14 -0.11 -1.17 0.02 0.00 0.00 175.30 174.73 1xdj s LEU 250 N 1.17 1.52 0.03 2.53 2.96 -0.79 -2.24 118.68 123.87 1xdj s LEU 250 Ca -0.01 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1xdj s LEU 250 Cb -0.14 -0.86 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 1xdj s LEU 250 CO -0.07 -0.02 0.32 -2.28 -1.32 0.00 0.00 176.35 172.98 1xdj s HIS 251 N 1.02 3.58 0.03 5.38 5.65 0.16 -2.24 115.29 128.88 1xdj s HIS 251 Ca -0.08 0.65 0.03 0.00 0.25 0.00 0.00 55.06 55.92 1xdj s HIS 251 Cb -0.15 -2.05 -0.02 0.00 -1.18 0.00 0.00 32.58 29.18 1xdj s HIS 251 CO -0.01 0.58 -0.09 -0.06 -0.65 0.00 0.00 174.74 174.51 1xdj s PHE 252 N -1.33 0.82 -0.46 3.88 2.99 -1.21 -3.52 117.98 119.15 1xdj s PHE 252 Ca 0.29 -0.34 -0.19 0.00 0.00 0.00 0.00 56.93 56.70 1xdj s PHE 252 Cb -0.14 -0.50 0.04 0.00 0.00 0.00 0.00 43.02 42.43 1xdj s PHE 252 CO 0.17 -0.02 0.55 0.34 -0.00 0.00 0.00 175.22 176.26 1xdj s ASP 253 N -1.03 6.23 0.00 1.36 3.68 -1.21 -1.77 116.67 123.94 1xdj s ASP 253 Ca -0.03 -0.73 0.22 0.00 2.13 0.00 0.00 52.55 54.15 1xdj s ASP 253 Cb -0.07 -2.27 0.40 0.00 -1.45 0.00 0.00 42.92 39.53 1xdj s ASP 253 CO 0.01 -0.75 1.37 0.49 0.13 0.00 0.00 175.17 176.42 1xdj n PHE 254 N 5.94 0.47 -0.13 -5.34 3.72 -1.03 -4.53 117.46 116.57 1xdj n PHE 254 Ca -0.06 -0.25 -0.27 0.00 -0.05 0.00 0.00 57.45 56.82 1xdj n PHE 254 Cb 0.46 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.90 1xdj n PHE 254 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xdj n VAL 255 N 1.43 1.53 1.20 -4.37 0.31 -1.26 -4.53 118.33 112.64 1xdj n VAL 255 Ca 0.18 -0.27 0.10 0.00 -0.01 0.00 0.00 64.34 64.35 1xdj n VAL 255 Cb 0.59 -1.93 0.59 0.00 -0.91 0.00 0.00 33.84 32.18 1xdj n VAL 255 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1xdj n SER 256 N -4.31 0.00 -3.75 4.52 3.41 -1.26 -4.87 113.62 107.36 1xdj n SER 256 Ca -0.48 -0.44 -0.07 0.00 -0.26 0.00 0.00 58.87 57.62 1xdj n SER 256 Cb 0.82 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 1xdj n SER 256 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xdj s ASN 257 N -2.19 -0.30 0.00 4.04 2.20 -1.26 -4.73 114.94 112.70 1xdj s ASN 257 Ca 0.28 -0.45 0.12 0.00 -0.94 0.00 0.00 52.86 51.87 1xdj s ASN 257 Cb 0.14 0.65 -0.10 0.00 -2.00 0.00 0.00 41.25 39.94 1xdj s ASN 257 CO 0.27 -1.17 0.56 -1.84 -2.94 0.00 0.00 177.10 171.98 1xdj n GLU 258 N -0.44 2.78 -0.09 3.55 -0.00 -1.26 -4.65 120.64 120.54 1xdj n GLU 258 Ca -0.07 -0.18 -0.14 0.00 -0.00 0.00 0.00 57.16 56.78 1xdj n GLU 258 Cb 0.60 -1.09 -0.04 0.00 -0.00 0.00 0.00 31.44 30.91 1xdj n GLU 258 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1xdj h GLU 259 N 0.36 0.73 -0.03 3.44 3.07 -1.96 -2.63 114.58 117.56 1xdj h GLU 259 Ca 0.00 -0.42 0.02 0.00 -0.50 0.00 0.00 59.36 58.46 1xdj h GLU 259 Cb 0.32 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1xdj h GLU 259 CO 0.00 1.04 -0.06 -0.91 -1.40 0.00 0.00 179.01 177.68 1xdj h ASN 260 N 0.48 -0.19 0.90 1.42 2.35 -1.86 0.14 115.58 118.83 1xdj h ASN 260 Ca 0.03 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1xdj h ASN 260 Cb 0.95 0.09 0.01 0.00 0.05 0.00 0.00 38.32 39.41 1xdj h ASN 260 CO 0.08 -0.09 -0.47 0.25 -1.65 0.00 0.00 177.43 175.56 1xdj h LEU 261 N -0.10 -1.13 -0.92 1.61 5.85 -1.86 0.83 115.31 119.60 1xdj h LEU 261 Ca 0.04 0.05 0.26 0.00 0.84 0.00 0.00 57.88 59.07 1xdj h LEU 261 Cb 0.15 0.30 -0.15 0.00 0.37 0.00 0.00 40.66 41.33 1xdj h LEU 261 CO -0.09 -0.77 0.27 0.11 -0.34 0.00 0.00 178.44 177.63 1xdj h LYS 262 N -1.26 0.18 -0.19 1.25 6.56 -1.34 0.71 116.57 122.49 1xdj h LYS 262 Ca -0.12 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.40 1xdj h LYS 262 Cb 0.98 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.59 1xdj h LYS 262 CO 0.18 0.12 -0.11 -0.91 -2.06 0.00 0.00 179.45 176.67 1xdj h ASN 263 N 0.19 0.42 0.02 0.86 -0.26 -0.43 -2.81 115.58 113.56 1xdj h ASN 263 Ca 0.60 -0.43 -0.04 0.00 -0.56 0.00 0.00 56.30 55.88 1xdj h ASN 263 Cb 1.27 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.41 1xdj h ASN 263 CO -0.69 0.76 -0.09 0.25 -1.06 0.00 0.00 177.43 176.59 1xdj h LEU 264 N 0.09 0.17 -3.39 1.61 6.46 0.13 -1.08 115.31 119.30 1xdj h LEU 264 Ca 0.04 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1xdj h LEU 264 Cb 0.61 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1xdj h LEU 264 CO 0.03 0.30 0.00 -1.84 -0.62 0.00 0.00 178.44 176.31 1xdj n GLU 265 N -4.33 4.29 0.00 1.25 0.28 -0.11 -0.89 120.64 121.14 1xdj n GLU 265 Ca -0.01 -3.03 0.00 0.00 -0.16 0.00 0.00 57.16 53.96 1xdj n GLU 265 Cb 0.23 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 31.01 1xdj n GLU 265 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1xdj n LYS 266 N 0.64 3.52 0.00 3.44 5.02 -0.99 -4.75 118.16 125.04 1xdj n LYS 266 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1xdj n LYS 266 Cb 1.06 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 1xdj n LYS 266 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xdj n HIS 267 N -1.93 0.00 -0.87 2.13 8.25 -0.44 -5.09 115.22 117.27 1xdj n HIS 267 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1xdj n HIS 267 Cb 0.47 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.55 1xdj n HIS 267 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xdj n GLY 268 N 0.09 -2.06 3.12 -1.41 0.00 -0.06 -4.93 105.19 99.94 1xdj n GLY 268 Ca 0.00 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 1xdj n GLY 268 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xdj s PHE 269 N -1.68 1.67 0.33 1.61 2.19 -1.26 -4.72 117.98 116.13 1xdj s PHE 269 Ca 0.00 -0.50 -0.28 0.00 0.33 0.00 0.00 56.93 56.48 1xdj s PHE 269 Cb 0.00 -1.14 -0.13 0.00 -1.31 0.00 0.00 43.02 40.45 1xdj s PHE 269 CO 0.00 -0.18 1.27 -2.30 1.83 0.00 0.00 175.22 175.84 1xdj n PRO 270 N 3.22 2.05 0.00 10.12 -0.02 -1.26 -4.92 135.00 144.19 1xdj n PRO 270 Ca -0.18 0.72 0.14 0.00 -2.02 0.00 0.00 63.50 62.15 1xdj n PRO 270 Cb 0.53 -2.29 0.61 0.00 -0.02 0.00 0.00 33.50 32.33 1xdj n PRO 270 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1xdj n GLU 271 N 0.66 0.11 -0.02 -0.52 0.00 -1.26 -3.41 120.64 116.20 1xdj n GLU 271 Ca 0.06 -0.01 0.13 0.00 0.00 0.00 0.00 57.16 57.33 1xdj n GLU 271 Cb 0.35 -1.50 0.54 0.00 0.00 0.00 0.00 31.44 30.83 1xdj n GLU 271 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1xdj n ASP 272 N -1.43 1.22 -4.05 -1.84 5.68 -1.26 -4.89 116.55 109.98 1xdj n ASP 272 Ca 0.09 -1.49 -0.09 0.00 -0.50 0.00 0.00 54.79 52.79 1xdj n ASP 272 Cb 0.32 -0.03 -0.09 0.00 -1.14 0.00 0.00 41.12 40.18 1xdj n ASP 272 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1xdj s LYS 273 N -1.93 0.98 -0.08 0.11 -2.85 -1.22 -4.78 119.74 109.96 1xdj s LYS 273 Ca 0.37 -1.28 -0.01 0.00 -1.00 0.00 0.00 55.97 54.05 1xdj s LYS 273 Cb 0.19 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 36.23 1xdj s LYS 273 CO 0.31 -0.31 -0.04 -1.59 0.10 0.00 0.00 175.35 173.82 1xdj s LYS 274 N -3.99 2.92 0.05 1.78 0.00 0.33 -4.86 119.74 115.98 1xdj s LYS 274 Ca 0.18 -0.49 -0.16 0.00 0.00 0.00 0.00 55.97 55.51 1xdj s LYS 274 Cb 0.06 -2.70 -0.06 0.00 0.00 0.00 0.00 37.83 35.13 1xdj s LYS 274 CO -0.01 0.64 0.48 -1.17 0.00 0.00 0.00 175.35 175.30 1xdj s LEU 275 N -0.73 4.46 -0.43 2.77 2.96 -1.26 -1.88 118.68 124.57 1xdj s LEU 275 Ca 0.11 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 55.12 1xdj s LEU 275 Cb -0.11 -2.82 0.12 0.00 0.50 0.00 0.00 46.19 43.88 1xdj s LEU 275 CO 0.02 0.26 0.19 0.54 -1.32 0.00 0.00 176.35 176.04 1xdj s VAL 276 N -1.17 1.85 -0.24 1.68 0.11 -0.95 -2.74 120.40 118.94 1xdj s VAL 276 Ca 0.28 -2.59 -0.28 0.00 -2.93 0.00 0.00 61.98 56.46 1xdj s VAL 276 Cb -0.17 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1xdj s VAL 276 CO 0.16 -0.78 2.11 0.00 -3.33 0.00 0.00 175.10 173.27 1xdj s ALA 277 N 0.43 2.77 -0.72 1.54 0.00 -0.72 -3.35 121.76 121.72 1xdj s ALA 277 Ca 0.15 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.53 1xdj s ALA 277 Cb -0.23 -4.06 0.05 0.00 0.00 0.00 0.00 23.12 18.88 1xdj s ALA 277 CO -0.05 -2.73 1.15 0.20 0.00 0.00 0.00 175.76 174.32 1xdj s GLY 278 N 7.70 1.12 0.00 0.00 0.00 -0.73 -1.58 107.32 113.83 1xdj s GLY 278 Ca 0.95 -1.62 0.03 0.00 0.00 0.00 0.00 44.72 44.08 1xdj s GLY 278 CO 0.35 2.39 0.81 3.33 0.00 0.00 0.00 173.10 179.98 1xdj n VAL 279 N 6.18 0.46 -3.97 1.40 0.24 0.54 -2.46 118.33 120.72 1xdj n VAL 279 Ca 0.01 -0.73 -0.34 0.00 -2.04 0.00 0.00 64.34 61.24 1xdj n VAL 279 Cb 0.47 0.80 -0.14 0.00 -1.47 0.00 0.00 33.84 33.50 1xdj n VAL 279 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xdj s ILE 280 N -0.59 2.76 0.16 1.34 -1.09 -1.14 -4.83 121.20 117.81 1xdj s ILE 280 Ca 0.05 -1.15 -0.33 0.00 -2.23 0.00 0.00 60.65 56.99 1xdj s ILE 280 Cb 0.03 -2.44 -0.13 0.00 -1.58 0.00 0.00 42.46 38.34 1xdj s ILE 280 CO 0.04 0.14 1.66 -3.20 -1.23 0.00 0.00 174.94 172.36 1xdj n ASN 281 N 4.63 3.50 -0.87 3.58 2.85 -1.26 0.36 115.26 128.04 1xdj n ASN 281 Ca -0.16 1.06 0.09 0.00 -0.11 0.00 0.00 54.58 55.46 1xdj n ASN 281 Cb 0.46 -1.48 0.18 0.00 1.24 0.00 0.00 39.78 40.17 1xdj n ASN 281 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xdj n GLY 282 N 3.72 1.78 0.00 8.20 0.00 -1.26 -4.42 105.19 113.21 1xdj n GLY 282 Ca 0.17 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.68 1xdj n GLY 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xdj n ARG 283 N 1.02 3.98 -4.24 1.61 5.12 -1.26 -3.92 116.66 118.97 1xdj n ARG 283 Ca 0.15 -0.01 -0.22 0.00 -1.93 0.00 0.00 57.85 55.84 1xdj n ARG 283 Cb 0.49 -0.88 -0.12 0.00 -1.16 0.00 0.00 32.46 30.78 1xdj n ARG 283 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1xdj s GLN 284 N -1.79 1.01 -0.34 5.56 -1.52 -1.26 -4.94 119.66 116.38 1xdj s GLN 284 Ca 0.02 -1.09 0.08 0.00 -1.95 0.00 0.00 55.36 52.42 1xdj s GLN 284 Cb 0.05 -1.17 0.70 0.00 -0.22 0.00 0.00 33.01 32.37 1xdj s GLN 284 CO 0.28 0.27 1.79 -0.35 -0.25 0.00 0.00 175.29 177.03 1xdj n PRO 285 N 1.15 3.32 -3.42 2.91 -0.04 -1.26 -4.89 135.00 132.77 1xdj n PRO 285 Ca -0.20 -2.92 -0.38 0.00 -0.04 0.00 0.00 63.50 59.96 1xdj n PRO 285 Cb 0.54 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.77 1xdj n PRO 285 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xdj s TRP 286 N -2.93 3.74 0.32 0.54 0.52 -1.26 0.14 118.94 120.02 1xdj s TRP 286 Ca 0.53 1.08 -0.29 0.00 0.02 0.00 0.00 56.10 57.44 1xdj s TRP 286 Cb 0.43 -2.35 -0.10 0.00 -1.15 0.00 0.00 33.47 30.29 1xdj s TRP 286 CO 0.13 0.61 1.28 0.21 0.02 0.00 0.00 176.95 179.19 1xdj s LYS 287 N -1.19 4.40 0.28 4.98 2.20 0.29 -4.69 119.74 126.01 1xdj s LYS 287 Ca 0.27 2.16 0.11 0.00 -0.36 0.00 0.00 55.97 58.14 1xdj s LYS 287 Cb -0.17 -3.09 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 1xdj s LYS 287 CO 0.16 -0.13 -0.16 0.54 -0.36 0.00 0.00 175.35 175.39 1xdj s VAL 288 N -1.14 2.30 -0.77 4.02 0.11 -1.26 -4.98 120.40 118.68 1xdj s VAL 288 Ca 0.48 -2.33 -0.26 0.00 -2.93 0.00 0.00 61.98 56.94 1xdj s VAL 288 Cb -0.39 -2.35 0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1xdj s VAL 288 CO 0.51 -0.38 1.51 -0.62 -3.33 0.00 0.00 175.10 172.80 1xdj s ASP 289 N -3.50 5.90 0.00 3.54 2.15 -1.26 -4.80 116.67 118.70 1xdj s ASP 289 Ca 0.30 -0.43 0.08 0.00 0.43 0.00 0.00 52.55 52.93 1xdj s ASP 289 Cb -0.02 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.54 1xdj s ASP 289 CO 0.14 -2.00 0.94 0.18 -0.17 0.00 0.00 175.17 174.26 1xdj n LEU 290 N 10.56 0.00 -0.01 -1.34 4.77 -1.26 -2.93 117.00 126.79 1xdj n LEU 290 Ca 0.15 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1xdj n LEU 290 Cb 0.50 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1xdj n LEU 290 CO 0.69 0.00 0.01 0.03 -1.33 0.00 0.00 177.39 176.79 1xdj h ARG 291 N 0.00 -0.01 -0.14 3.23 2.47 -2.00 -2.79 114.38 115.15 1xdj h ARG 291 Ca 0.00 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1xdj h ARG 291 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1xdj h ARG 291 CO 0.00 -0.00 0.21 1.57 0.56 0.00 0.00 179.97 182.31 1xdj h LYS 292 N -0.27 0.00 -0.07 0.04 -0.00 -1.96 -0.12 116.57 114.19 1xdj h LYS 292 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.56 1xdj h LYS 292 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.24 1xdj h LYS 292 CO 0.00 0.00 -0.31 0.28 -0.00 0.00 0.00 179.45 179.42 1xdj h VAL 293 N 0.00 1.42 -0.33 0.07 2.07 -1.65 -2.66 116.25 115.17 1xdj h VAL 293 Ca 0.07 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1xdj h VAL 293 Cb 0.49 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1xdj h VAL 293 CO -0.00 0.49 0.21 0.00 0.02 0.00 0.00 177.57 178.30 1xdj h ALA 294 N 0.43 1.75 -0.76 1.67 0.00 -0.75 -1.04 119.26 120.55 1xdj h ALA 294 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1xdj h ALA 294 Cb 0.96 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1xdj h ALA 294 CO 0.06 0.23 0.28 1.03 0.00 0.00 0.00 179.25 180.85 1xdj h SER 295 N 0.46 1.07 0.53 0.00 0.87 -1.24 -0.32 113.55 114.91 1xdj h SER 295 Ca 0.12 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1xdj h SER 295 Cb -0.04 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 61.65 1xdj h SER 295 CO -0.03 0.97 -0.25 0.25 -0.53 0.00 0.00 176.83 177.24 1xdj h LEU 296 N 1.12 -0.60 -1.35 2.23 5.85 -0.86 0.12 115.31 121.82 1xdj h LEU 296 Ca 0.25 -0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.06 1xdj h LEU 296 Cb 0.25 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 1xdj h LEU 296 CO -0.02 -0.25 0.56 0.58 -0.34 0.00 0.00 178.44 178.98 1xdj h VAL 297 N -0.99 0.83 0.31 1.05 2.07 -1.28 -1.28 116.25 116.95 1xdj h VAL 297 Ca -0.07 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1xdj h VAL 297 Cb 0.62 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1xdj h VAL 297 CO 0.12 0.11 -0.15 -0.33 0.02 0.00 0.00 177.57 177.35 1xdj h GLU 298 N 0.63 -0.40 -0.40 1.57 5.08 -0.92 -1.62 114.58 118.51 1xdj h GLU 298 Ca 0.43 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.93 1xdj h GLU 298 Cb 0.75 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1xdj h GLU 298 CO -0.19 -0.07 0.32 0.87 -1.00 0.00 0.00 179.01 178.94 1xdj h LYS 299 N -0.94 0.00 -0.02 2.33 1.79 -0.66 0.19 116.57 119.27 1xdj h LYS 299 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1xdj h LYS 299 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1xdj h LYS 299 CO 0.07 0.00 -0.06 1.28 -1.08 0.00 0.00 179.45 179.66 1xdj n LEU 300 N -4.22 1.83 -2.95 2.94 4.32 -0.51 -4.95 117.00 113.46 1xdj n LEU 300 Ca 0.07 -0.60 -0.16 0.00 -0.02 0.00 0.00 56.01 55.29 1xdj n LEU 300 Cb 0.51 -0.02 -0.01 0.00 -1.62 0.00 0.00 43.42 42.28 1xdj n LEU 300 CO 0.34 0.31 -0.08 0.61 -1.22 0.00 0.00 177.39 177.35 1xdj n GLY 301 N 1.25 -0.49 3.75 -0.72 0.00 0.68 -4.86 105.19 104.80 1xdj n GLY 301 Ca 0.16 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1xdj n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xdj s ALA 302 N -2.69 3.66 -0.55 4.61 0.00 -0.68 -4.92 121.76 121.20 1xdj s ALA 302 Ca 0.21 1.40 0.24 0.00 0.00 0.00 0.00 51.96 53.81 1xdj s ALA 302 Cb -0.11 -3.58 0.42 0.00 0.00 0.00 0.00 23.12 19.84 1xdj s ALA 302 CO 0.26 -0.81 1.48 0.66 0.00 0.00 0.00 175.76 177.35 1xdj h SER 303 N 4.95 0.00 -5.45 0.00 4.64 -1.87 -3.47 113.55 112.34 1xdj h SER 303 Ca -0.46 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 60.62 1xdj h SER 303 Cb 1.22 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.18 1xdj h SER 303 CO 0.78 0.03 -0.45 0.00 -0.87 0.00 0.00 176.83 176.32 1xdj s ALA 304 N -3.19 0.63 0.18 5.18 0.00 -1.11 -2.27 121.76 121.19 1xdj s ALA 304 Ca 0.07 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.60 1xdj s ALA 304 Cb 0.10 1.22 -0.02 0.00 0.00 0.00 0.00 23.12 24.42 1xdj s ALA 304 CO 0.68 -0.67 0.22 0.96 0.00 0.00 0.00 175.76 176.96 1xdj s ILE 305 N -4.10 0.04 -0.04 0.00 -4.36 -0.44 -1.75 121.20 110.55 1xdj s ILE 305 Ca 0.31 -1.70 -0.29 0.00 -0.26 0.00 0.00 60.65 58.71 1xdj s ILE 305 Cb 0.04 -2.15 0.10 0.00 1.25 0.00 0.00 42.46 41.70 1xdj s ILE 305 CO 0.10 -0.19 1.32 -0.94 0.24 0.00 0.00 174.94 175.46 1xdj s SER 306 N -3.05 0.00 0.45 4.36 1.04 -0.61 -0.26 113.70 115.62 1xdj s SER 306 Ca 0.26 -0.13 -0.21 0.00 0.48 0.00 0.00 55.95 56.34 1xdj s SER 306 Cb 0.05 0.10 -0.09 0.00 0.10 0.00 0.00 66.02 66.18 1xdj s SER 306 CO 0.06 -0.20 1.02 0.54 0.98 0.00 0.00 173.24 175.64 1xdj s ASN 307 N -3.81 6.57 0.07 7.02 4.22 -1.26 -0.34 114.94 127.42 1xdj s ASN 307 Ca 0.29 1.92 -0.29 0.00 -2.14 0.00 0.00 52.86 52.64 1xdj s ASN 307 Cb 0.00 -2.56 -0.18 0.00 1.28 0.00 0.00 41.25 39.79 1xdj s ASN 307 CO -0.02 -0.62 1.65 0.77 -2.04 0.00 0.00 177.10 176.84 1xdj h SER 308 N 1.89 -0.49 -3.67 3.54 4.64 -0.26 -3.42 113.55 115.78 1xdj h SER 308 Ca -0.49 0.01 -0.41 0.00 -0.47 0.00 0.00 61.79 60.43 1xdj h SER 308 Cb 1.21 0.13 -0.14 0.00 -0.31 0.00 0.00 62.40 63.29 1xdj h SER 308 CO 0.60 -0.34 -0.65 0.00 -0.87 0.00 0.00 176.83 175.58 1xdj n PRO 310 N -0.48 0.23 0.00 0.00 -0.02 -1.26 -4.00 135.00 129.46 1xdj n PRO 310 Ca -0.04 0.08 0.14 0.00 -2.02 0.00 0.00 63.50 61.66 1xdj n PRO 310 Cb 0.64 -1.20 0.57 0.00 -0.02 0.00 0.00 33.50 33.50 1xdj n PRO 310 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xdj n LEU 311 N 1.89 1.06 0.00 2.45 4.77 -0.95 -3.93 117.00 122.29 1xdj n LEU 311 Ca 0.12 -0.32 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1xdj n LEU 311 Cb 0.38 -0.05 0.71 0.00 -2.33 0.00 0.00 43.42 42.13 1xdj n LEU 311 CO 0.55 0.18 0.90 2.22 -1.33 0.00 0.00 177.39 179.91 1xdj n PHE 312 N -0.29 0.00 1.29 -1.77 -1.74 0.32 -2.19 117.46 113.08 1xdj n PHE 312 Ca 0.18 0.00 0.14 0.00 -0.56 0.00 0.00 57.45 57.20 1xdj n PHE 312 Cb 0.31 0.00 0.51 0.00 1.52 0.00 0.00 39.48 41.82 1xdj n PHE 312 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1xdj n HIS 313 N -0.97 0.00 -4.38 2.97 8.25 -1.25 -4.45 115.22 115.39 1xdj n HIS 313 Ca 0.18 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.38 1xdj n HIS 313 Cb 0.08 -0.19 -0.09 0.00 1.12 0.00 0.00 29.99 30.91 1xdj n HIS 313 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xdj s LEU 314 N -2.57 2.96 0.84 2.41 1.43 -0.93 -4.85 118.68 117.96 1xdj s LEU 314 Ca 0.25 -1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.10 1xdj s LEU 314 Cb 0.19 -1.22 0.09 0.00 0.03 0.00 0.00 46.19 45.28 1xdj s LEU 314 CO 0.51 -0.36 1.10 -2.84 0.23 0.00 0.00 176.35 174.99 1xdj s PRO 315 N -3.75 1.77 0.07 1.29 0.02 -1.26 -4.75 135.00 128.39 1xdj s PRO 315 Ca 0.36 0.63 -0.20 0.00 0.02 0.00 0.00 61.00 61.81 1xdj s PRO 315 Cb 0.04 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.57 1xdj s PRO 315 CO 0.19 -1.84 1.51 0.28 -0.33 0.00 0.00 177.00 176.82 1xdj h VAL 316 N -1.25 1.25 -2.18 3.83 2.07 -1.88 -1.12 116.25 116.97 1xdj h VAL 316 Ca -0.48 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.13 1xdj h VAL 316 Cb 1.28 1.42 -0.20 0.00 -1.52 0.00 0.00 31.29 32.27 1xdj h VAL 316 CO 0.59 0.26 0.10 -0.89 0.02 0.00 0.00 177.57 177.64 1xdj s THR 317 N -5.01 0.01 -0.86 2.57 2.01 -1.26 -1.35 115.64 111.74 1xdj s THR 317 Ca -0.14 -0.07 0.25 0.00 0.31 0.00 0.00 61.69 62.04 1xdj s THR 317 Cb 0.07 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.67 1xdj s THR 317 CO 0.73 -0.04 1.39 -0.11 -0.69 0.00 0.00 174.62 175.90 1xdj n LEU 318 N 1.22 0.54 -0.30 4.42 7.94 -1.26 -4.60 117.00 124.96 1xdj n LEU 318 Ca -0.19 0.10 -0.03 0.00 -1.11 0.00 0.00 56.01 54.78 1xdj n LEU 318 Cb 0.57 -0.23 -0.00 0.00 0.53 0.00 0.00 43.42 44.28 1xdj n LEU 318 CO 0.21 0.05 0.42 -0.62 -1.11 0.00 0.00 177.39 176.35 1xdj n GLU 319 N -1.73 -0.23 -0.40 1.96 4.71 -1.26 -0.78 120.64 122.91 1xdj n GLU 319 Ca 0.05 1.17 0.08 0.00 -0.01 0.00 0.00 57.16 58.45 1xdj n GLU 319 Cb 0.37 -1.73 0.27 0.00 -1.01 0.00 0.00 31.44 29.35 1xdj n GLU 319 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1xdj n LEU 320 N -5.07 3.49 -4.25 -4.62 4.32 -1.26 -4.70 117.00 104.91 1xdj n LEU 320 Ca 0.06 -1.75 -0.43 0.00 -0.02 0.00 0.00 56.01 53.86 1xdj n LEU 320 Cb 0.27 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1xdj n LEU 320 CO -0.11 0.70 1.93 -0.62 -1.22 0.00 0.00 177.39 178.08 1xdj n GLU 321 N 0.99 3.27 -0.41 3.23 -0.58 0.04 -4.68 120.64 122.49 1xdj n GLU 321 Ca 0.20 -3.37 0.08 0.00 -0.42 0.00 0.00 57.16 53.65 1xdj n GLU 321 Cb 0.62 -3.21 0.27 0.00 -0.57 0.00 0.00 31.44 28.54 1xdj n GLU 321 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xdj n ASN 322 N 6.27 3.90 -0.52 1.62 3.02 -1.26 -4.30 115.26 123.99 1xdj n ASN 322 Ca 0.44 -2.38 0.05 0.00 -0.03 0.00 0.00 54.58 52.66 1xdj n ASN 322 Cb 0.42 -0.45 0.12 0.00 -0.61 0.00 0.00 39.78 39.26 1xdj n ASN 322 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xdj n ASN 323 N 0.61 2.64 -4.75 6.41 4.13 -1.26 -5.03 115.26 118.01 1xdj n ASN 323 Ca 0.20 -1.91 -0.33 0.00 1.68 0.00 0.00 54.58 54.23 1xdj n ASN 323 Cb 0.71 -0.17 0.08 0.00 -1.54 0.00 0.00 39.78 38.86 1xdj n ASN 323 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xdj s LEU 324 N -0.97 3.24 0.82 3.41 1.02 -1.26 -4.98 118.68 119.96 1xdj s LEU 324 Ca 0.19 2.06 -0.14 0.00 0.02 0.00 0.00 54.13 56.26 1xdj s LEU 324 Cb 0.10 -4.55 0.03 0.00 0.02 0.00 0.00 46.19 41.78 1xdj s LEU 324 CO 0.13 -2.01 0.73 -2.65 0.02 0.00 0.00 176.35 172.58 1xdj n PRO 325 N -2.90 0.07 -1.64 1.29 -0.02 -1.26 -4.80 135.00 125.75 1xdj n PRO 325 Ca 0.11 0.08 -0.54 0.00 -2.02 0.00 0.00 63.50 61.13 1xdj n PRO 325 Cb 0.52 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1xdj n PRO 325 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xdj n GLY 326 N 1.20 0.88 2.34 -1.23 0.00 -1.26 -1.62 105.19 105.51 1xdj n GLY 326 Ca 0.10 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.05 1xdj n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xdj n GLY 327 N 4.86 2.94 0.51 -0.02 0.00 -1.26 -4.94 105.19 107.29 1xdj n GLY 327 Ca 0.30 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.12 1xdj n GLY 327 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xdj h LEU 328 N 0.00 -1.25 -0.93 0.99 5.85 -1.63 -3.09 115.31 115.25 1xdj h LEU 328 Ca 0.00 0.08 0.27 0.00 0.84 0.00 0.00 57.88 59.07 1xdj h LEU 328 Cb 0.00 0.37 -0.16 0.00 0.37 0.00 0.00 40.66 41.25 1xdj h LEU 328 CO 0.00 -0.73 0.24 0.50 -0.34 0.00 0.00 178.44 178.11 1xdj h LYS 329 N -1.15 0.13 -0.04 1.25 3.64 -1.90 0.26 116.57 118.77 1xdj h LYS 329 Ca -0.10 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1xdj h LYS 329 Cb 0.94 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1xdj h LYS 329 CO 0.07 0.09 0.18 0.93 -2.27 0.00 0.00 179.45 178.45 1xdj h GLU 330 N 0.14 0.00 -0.02 1.90 3.07 -1.92 -1.30 114.58 116.44 1xdj h GLU 330 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1xdj h GLU 330 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1xdj h GLU 330 CO -0.73 0.00 -0.12 1.63 -1.40 0.00 0.00 179.01 178.39 1xdj n LYS 331 N -3.17 1.48 -2.43 2.33 5.02 0.91 -4.96 118.16 117.35 1xdj n LYS 331 Ca -0.02 -1.28 -0.24 0.00 -2.02 0.00 0.00 58.31 54.76 1xdj n LYS 331 Cb 0.25 -1.31 0.09 0.00 -0.02 0.00 0.00 35.03 34.04 1xdj n LYS 331 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xdj s LEU 332 N -1.64 2.98 -0.30 -0.35 2.01 -0.49 -0.55 118.68 120.34 1xdj s LEU 332 Ca 0.18 0.02 -0.15 0.00 0.01 0.00 0.00 54.13 54.19 1xdj s LEU 332 Cb 0.14 -2.57 0.18 0.00 0.01 0.00 0.00 46.19 43.95 1xdj s LEU 332 CO 0.28 -1.68 1.09 0.00 1.01 0.00 0.00 176.35 177.05 1xdj s ALA 333 N -3.14 -3.20 0.00 4.21 0.00 0.12 -4.17 121.76 115.58 1xdj s ALA 333 Ca 0.63 1.69 0.00 0.00 0.00 0.00 0.00 51.96 54.28 1xdj s ALA 333 Cb -0.08 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1xdj s ALA 333 CO 0.44 -1.21 0.00 1.19 0.00 0.00 0.00 175.76 176.18 1xdj n PHE 334 N 5.13 -1.52 -0.23 0.00 3.72 -1.26 -4.24 117.46 119.07 1xdj n PHE 334 Ca -0.08 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.20 1xdj n PHE 334 Cb 0.54 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.98 1xdj n PHE 334 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xdj h ALA 335 N 0.00 -0.71 -0.89 4.37 0.00 -1.27 0.18 119.26 120.94 1xdj h ALA 335 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xdj h ALA 335 Cb 0.00 1.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1xdj h ALA 335 CO 0.00 -1.03 0.59 -0.22 0.00 0.00 0.00 179.25 178.59 1xdj h LYS 336 N -0.27 1.13 0.00 0.00 3.64 -1.45 -0.44 116.57 119.17 1xdj h LYS 336 Ca 0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xdj h LYS 336 Cb 0.54 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xdj h LYS 336 CO -0.71 0.75 0.00 0.39 -2.27 0.00 0.00 179.45 177.61 1xdj n GLU 337 N -4.49 0.15 0.09 1.90 4.71 -0.74 -1.69 120.64 120.57 1xdj n GLU 337 Ca 0.11 0.31 -0.18 0.00 -0.01 0.00 0.00 57.16 57.39 1xdj n GLU 337 Cb 0.05 -1.75 -0.14 0.00 -1.01 0.00 0.00 31.44 28.59 1xdj n GLU 337 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1xdj h LYS 338 N 0.00 0.31 -0.34 3.49 1.79 0.96 -2.39 116.57 120.40 1xdj h LYS 338 Ca 0.00 -0.53 -0.09 0.00 -2.18 0.00 0.00 60.65 57.85 1xdj h LYS 338 Cb 0.43 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1xdj h LYS 338 CO 0.00 1.22 -0.15 1.25 -1.08 0.00 0.00 179.45 180.69 1xdj h LEU 339 N 0.09 0.61 -0.60 2.94 5.85 -0.90 -2.10 115.31 121.19 1xdj h LEU 339 Ca -0.21 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.18 1xdj h LEU 339 Cb 2.03 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 1xdj h LEU 339 CO 0.20 0.78 -0.64 -0.33 -0.34 0.00 0.00 178.44 178.10 1xdj h GLU 340 N 0.56 0.24 -0.32 1.25 5.08 -1.32 -2.74 114.58 117.33 1xdj h GLU 340 Ca 0.09 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1xdj h GLU 340 Cb 0.58 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1xdj h GLU 340 CO 0.04 0.80 -0.29 0.93 -1.00 0.00 0.00 179.01 179.48 1xdj h GLU 341 N 0.17 0.67 -0.39 2.33 5.08 -1.05 -2.91 114.58 118.47 1xdj h GLU 341 Ca -0.01 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1xdj h GLU 341 Cb 1.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1xdj h GLU 341 CO 0.10 0.88 0.24 -0.07 -1.00 0.00 0.00 179.01 179.17 1xdj h LEU 342 N 0.57 0.46 -2.02 1.33 3.38 -1.24 -1.28 115.31 116.51 1xdj h LEU 342 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xdj h LEU 342 Cb 0.79 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1xdj h LEU 342 CO 0.06 0.36 0.00 1.17 0.09 0.00 0.00 178.44 180.13 1xdj n LYS 343 N -4.79 0.08 0.00 1.13 4.81 -1.05 -1.04 118.16 117.31 1xdj n LYS 343 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xdj n LYS 343 Cb 0.04 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.63 1xdj n LYS 343 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1xdj n LEU 345 N 0.97 0.00 0.04 3.14 4.77 -0.48 -0.96 117.00 124.49 1xdj n LEU 345 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1xdj n LEU 345 Cb 0.04 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1xdj n LEU 345 CO 0.00 0.00 0.78 0.50 -1.33 0.00 0.00 177.39 177.34 1xdj h LYS 346 N 0.00 -0.19 -0.47 3.23 3.64 -1.35 0.54 116.57 121.97 1xdj h LYS 346 Ca 0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1xdj h LYS 346 Cb 0.00 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1xdj h LYS 346 CO 0.00 -0.13 0.15 -0.44 -2.27 0.00 0.00 179.45 176.76 1xdj h ASP 347 N -0.20 0.63 1.34 4.20 3.32 -1.31 0.46 116.42 124.85 1xdj h ASP 347 Ca 0.05 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1xdj h ASP 347 Cb 0.26 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1xdj h ASP 347 CO -0.13 0.60 0.00 0.15 -1.72 0.00 0.00 179.24 178.14 1xdj h PHE 348 N 0.67 0.00 -2.21 4.55 3.57 -1.71 -3.22 116.94 118.60 1xdj h PHE 348 Ca 0.16 0.00 -0.77 0.00 3.53 0.00 0.00 57.97 60.88 1xdj h PHE 348 Cb 0.20 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 38.65 1xdj h PHE 348 CO 0.01 0.00 0.81 1.28 -2.23 0.00 0.00 178.31 178.18 1xdj n LEU 349 N -2.69 7.00 0.00 0.59 4.32 0.15 -5.08 117.00 121.29 1xdj n LEU 349 Ca 0.03 -5.35 0.00 0.00 -0.02 0.00 0.00 56.01 50.67 1xdj n LEU 349 Cb 0.38 -1.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 1xdj n LEU 349 CO 0.28 2.05 0.00 -0.62 -1.22 0.00 0.00 177.39 177.89 1xdj n GLU 350 N -0.15 0.00 0.00 3.23 4.71 -1.22 -4.09 120.64 123.12 1xdj n GLU 350 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.61 1xdj n GLU 350 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.71 1xdj n GLU 350 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1xdj n PHE 361 N 0.00 0.00 0.09 -0.32 -1.74 -1.26 -5.04 117.46 109.19 1xdj n PHE 361 Ca 0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.74 1xdj n PHE 361 Cb 0.00 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 40.90 1xdj n PHE 361 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 1xdj h GLU 362 N 0.00 0.31 0.00 3.97 3.07 -2.04 -3.30 114.58 116.59 1xdj h GLU 362 Ca 0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1xdj h GLU 362 Cb 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1xdj h GLU 362 CO 0.00 1.17 0.00 -0.40 -1.40 0.00 0.00 179.01 178.38 1xdj n ASP 363 N -3.61 0.00 -4.50 1.42 5.75 -1.26 -4.89 116.55 109.46 1xdj n ASP 363 Ca -0.08 0.01 -0.43 0.00 -0.01 0.00 0.00 54.79 54.28 1xdj n ASP 363 Cb 0.95 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1xdj n ASP 363 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1xdj n PHE 364 N -1.25 0.08 -0.73 2.11 7.35 -1.25 -4.18 117.46 119.61 1xdj n PHE 364 Ca 0.07 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1xdj n PHE 364 Cb 0.11 -2.07 0.00 0.00 0.35 0.00 0.00 39.48 37.86 1xdj n PHE 364 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xdj n ALA 365 N -0.56 -1.09 -2.80 3.13 0.00 -1.26 -4.79 120.51 113.14 1xdj n ALA 365 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 1xdj n ALA 365 Cb 0.37 -0.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.60 1xdj n ALA 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1xdj s VAL 366 N -0.09 0.32 -0.65 0.00 -7.23 -1.26 -2.13 120.40 109.37 1xdj s VAL 366 Ca 0.00 -0.29 0.06 0.00 -1.81 0.00 0.00 61.98 59.93 1xdj s VAL 366 Cb 0.00 -0.30 0.23 0.00 0.56 0.00 0.00 36.38 36.87 1xdj s VAL 366 CO 0.00 0.01 0.67 -0.67 -0.31 0.00 0.00 175.10 174.80 1xdj n ASP 367 N 2.76 3.43 -0.53 4.85 -0.08 -1.26 -4.92 116.55 120.79 1xdj n ASP 367 Ca -0.14 -3.35 0.43 0.00 -1.51 0.00 0.00 54.79 50.22 1xdj n ASP 367 Cb 0.58 -0.69 0.70 0.00 2.34 0.00 0.00 41.12 44.05 1xdj n ASP 367 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1xdj n LEU 368 N 1.18 0.14 -0.09 -2.67 4.32 -1.26 0.20 117.00 118.82 1xdj n LEU 368 Ca 0.27 1.21 -0.14 0.00 -0.02 0.00 0.00 56.01 57.34 1xdj n LEU 368 Cb 0.40 -0.60 -0.04 0.00 -1.62 0.00 0.00 43.42 41.56 1xdj n LEU 368 CO 0.36 -1.29 0.54 -0.61 -1.22 0.00 0.00 177.39 175.17 1xdj h GLN 369 N 0.00 0.73 0.17 3.23 4.15 -1.97 0.37 115.11 121.79 1xdj h GLN 369 Ca 0.87 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 59.87 1xdj h GLN 369 Cb 3.05 0.03 0.00 0.00 0.21 0.00 0.00 27.48 30.77 1xdj h GLN 369 CO -0.30 1.03 -0.08 0.00 -1.93 0.00 0.00 178.83 177.55 1xdj h ALA 370 N 0.69 -0.23 -0.26 3.38 0.00 0.19 0.41 119.26 123.44 1xdj h ALA 370 Ca 0.04 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1xdj h ALA 370 Cb 0.92 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1xdj h ALA 370 CO 0.08 -0.48 -0.13 0.28 0.00 0.00 0.00 179.25 179.01 1xdj h VAL 371 N -0.54 0.60 -0.83 0.00 2.07 -0.37 0.15 116.25 117.35 1xdj h VAL 371 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1xdj h VAL 371 Cb 0.41 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1xdj h VAL 371 CO 0.04 0.00 0.49 -0.33 0.02 0.00 0.00 177.57 177.79 1xdj h GLU 372 N -0.09 1.13 -0.59 1.57 3.07 -0.19 -0.25 114.58 119.23 1xdj h GLU 372 Ca 0.14 -0.11 0.10 0.00 -0.50 0.00 0.00 59.36 58.99 1xdj h GLU 372 Cb 0.30 -0.23 -0.08 0.00 -0.84 0.00 0.00 28.75 27.90 1xdj h GLU 372 CO -0.32 0.80 0.16 0.00 -1.40 0.00 0.00 179.01 178.25 1xdj h ARG 373 N 1.14 0.30 -0.20 2.33 2.47 0.12 0.75 114.38 121.30 1xdj h ARG 373 Ca 0.30 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 1xdj h ARG 373 Cb -0.03 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 1xdj h ARG 373 CO -0.05 0.20 0.06 0.28 0.56 0.00 0.00 179.97 181.02 1xdj h VAL 374 N 0.31 1.19 -0.04 2.04 2.07 -0.41 -2.58 116.25 118.83 1xdj h VAL 374 Ca 0.30 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1xdj h VAL 374 Cb 0.42 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1xdj h VAL 374 CO -0.36 0.18 0.10 0.03 0.02 0.00 0.00 177.57 177.55 1xdj h ARG 375 N 0.15 0.00 -5.65 1.57 -0.00 0.31 -3.49 114.38 107.26 1xdj h ARG 375 Ca 0.06 0.00 -0.46 0.00 -0.50 0.00 0.00 59.98 59.08 1xdj h ARG 375 Cb 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 29.97 30.01 1xdj h ARG 375 CO -0.00 0.00 -0.77 -0.80 0.00 0.00 0.00 179.97 178.40 1xdj s ASN 376 N -5.33 2.29 0.53 7.04 0.01 0.12 -5.07 114.94 114.52 1xdj s ASN 376 Ca -0.05 -0.83 -0.03 0.00 -0.71 0.00 0.00 52.86 51.25 1xdj s ASN 376 Cb 0.13 -0.11 0.01 0.00 0.41 0.00 0.00 41.25 41.69 1xdj s ASN 376 CO 0.44 -0.09 0.79 -2.16 -1.51 0.00 0.00 177.10 174.57 1xdj s PRO 378 N -2.69 2.94 0.13 -0.60 0.04 -1.26 -5.01 135.00 128.54 1xdj s PRO 378 Ca 0.11 -0.28 -0.15 0.00 0.04 0.00 0.00 61.00 60.72 1xdj s PRO 378 Cb -0.05 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1xdj s PRO 378 CO 0.04 -0.52 1.61 1.05 0.04 0.00 0.00 177.00 179.22 1xdj h GLU 379 N 0.09 0.68 0.00 4.56 9.09 -2.02 -2.70 114.58 124.28 1xdj h GLU 379 Ca -0.45 -0.18 0.00 0.00 0.05 0.00 0.00 59.36 58.77 1xdj h GLU 379 Cb 1.26 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1xdj h GLU 379 CO 0.58 0.72 0.00 -0.40 0.05 0.00 0.00 179.01 179.97 1xdj n ASP 380 N -4.51 0.00 -0.23 3.06 5.75 -1.26 -1.20 116.55 118.16 1xdj n ASP 380 Ca -0.00 -0.04 0.13 0.00 -0.01 0.00 0.00 54.79 54.87 1xdj n ASP 380 Cb 0.24 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 40.77 1xdj n ASP 380 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xdj n SER 381 N -0.65 0.93 -0.27 -1.12 3.41 -1.02 -3.44 113.62 111.46 1xdj n SER 381 Ca 0.00 -0.86 0.05 0.00 -0.26 0.00 0.00 58.87 57.80 1xdj n SER 381 Cb 0.00 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1xdj n SER 381 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xdj n PHE 382 N -0.66 0.00 -4.65 7.33 3.72 -0.34 -4.44 117.46 118.43 1xdj n PHE 382 Ca 0.13 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.29 1xdj n PHE 382 Cb 0.33 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.71 1xdj n PHE 382 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1xdj s ARG 383 N -1.24 1.50 0.13 -1.08 1.81 -1.22 -4.63 118.95 114.23 1xdj s ARG 383 Ca 0.09 -0.47 -0.30 0.00 -1.72 0.00 0.00 55.73 53.33 1xdj s ARG 383 Cb 0.08 -1.31 -0.06 0.00 -0.45 0.00 0.00 34.95 33.20 1xdj s ARG 383 CO 0.22 0.16 1.04 1.03 -0.68 0.00 0.00 175.30 177.07 1xdj s ARG 384 N 0.20 4.63 0.61 3.54 0.52 -1.26 -4.88 118.95 122.32 1xdj s ARG 384 Ca -0.06 1.59 0.24 0.00 -0.52 0.00 0.00 55.73 56.98 1xdj s ARG 384 Cb -0.11 -3.33 0.92 0.00 0.52 0.00 0.00 34.95 32.94 1xdj s ARG 384 CO 0.02 0.12 1.36 1.05 0.02 0.00 0.00 175.30 177.87 1xdj h GLU 385 N 5.49 0.00 -4.88 3.54 -0.00 -1.90 -3.41 114.58 113.43 1xdj h GLU 385 Ca -0.43 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 58.64 1xdj h GLU 385 Cb 1.21 0.00 -0.16 0.00 -0.00 0.00 0.00 28.75 29.81 1xdj h GLU 385 CO 0.73 0.00 -0.71 0.15 -0.00 0.00 0.00 179.01 179.18 1xdj s LYS 386 N -4.41 0.91 0.52 1.06 1.02 -1.26 -5.09 119.74 112.50 1xdj s LYS 386 Ca -0.03 -1.32 -0.16 0.00 0.02 0.00 0.00 55.97 54.49 1xdj s LYS 386 Cb 0.13 -0.44 -0.07 0.00 -0.52 0.00 0.00 37.83 36.92 1xdj s LYS 386 CO 0.43 0.04 0.99 -1.83 -0.92 0.00 0.00 175.35 174.06 1xdj s GLU 387 N -3.49 3.90 0.23 1.68 4.04 -1.26 -4.83 118.70 118.96 1xdj s GLU 387 Ca 0.12 0.92 -0.14 0.00 0.04 0.00 0.00 54.97 55.90 1xdj s GLU 387 Cb 0.02 -2.14 0.27 0.00 0.02 0.00 0.00 34.13 32.30 1xdj s GLU 387 CO -0.02 -0.30 1.59 -0.92 -1.84 0.00 0.00 175.26 173.78 1xdj h TYR 388 N 0.77 -0.59 -0.56 4.83 3.20 -1.96 -0.48 116.97 122.18 1xdj h TYR 388 Ca -0.46 0.07 0.16 0.00 3.14 0.00 0.00 58.73 61.64 1xdj h TYR 388 Cb 1.19 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.81 1xdj h TYR 388 CO 0.64 -0.35 0.41 1.79 -1.64 0.00 0.00 178.16 179.01 1xdj h THR 389 N -0.04 0.69 0.03 1.81 1.35 -1.98 0.43 112.91 115.21 1xdj h THR 389 Ca 0.34 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 66.08 1xdj h THR 389 Cb 0.57 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1xdj h THR 389 CO -0.79 0.00 -0.60 -0.33 -0.25 0.00 0.00 175.52 173.55 1xdj h GLU 390 N 0.00 0.07 -0.78 4.72 3.07 -1.49 -3.27 114.58 116.90 1xdj h GLU 390 Ca 0.27 -0.12 0.10 0.00 -0.50 0.00 0.00 59.36 59.11 1xdj h GLU 390 Cb 1.09 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.98 1xdj h GLU 390 CO -0.00 1.06 0.42 0.00 -1.40 0.00 0.00 179.01 179.08 1xdj h ARG 391 N -0.83 0.67 -0.24 2.33 3.08 -0.61 -2.55 114.38 116.23 1xdj h ARG 391 Ca -0.14 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 59.93 1xdj h ARG 391 Cb 1.26 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 31.09 1xdj h ARG 391 CO -0.02 0.44 -0.31 0.22 -1.07 0.00 0.00 179.97 179.23 1xdj h ASP 392 N 0.69 -0.98 0.00 7.04 -0.00 -0.28 -1.42 116.42 121.46 1xdj h ASP 392 Ca 0.39 0.16 0.03 0.00 -0.00 0.00 0.00 57.03 57.60 1xdj h ASP 392 Cb 0.40 0.44 -0.06 0.00 -0.00 0.00 0.00 39.33 40.12 1xdj h ASP 392 CO -0.27 -0.33 -0.45 0.03 -0.00 0.00 0.00 179.24 178.22 1xdj h ARG 393 N -0.32 -0.58 0.12 0.28 3.08 -1.50 -0.69 114.38 114.77 1xdj h ARG 393 Ca 0.13 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.23 1xdj h ARG 393 Cb 0.53 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1xdj h ARG 393 CO -0.42 -0.39 -0.37 0.82 -1.07 0.00 0.00 179.97 178.54 1xdj h ILE 394 N -0.60 0.00 -0.69 2.04 2.04 -1.40 -1.75 117.51 117.15 1xdj h ILE 394 Ca 0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.04 1xdj h ILE 394 Cb 0.67 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.62 1xdj h ILE 394 CO -0.33 0.00 -0.16 1.56 0.00 0.00 0.00 178.15 179.23 1xdj h GLN 395 N -0.56 0.01 -0.66 2.37 4.20 -1.14 0.30 115.11 119.64 1xdj h GLN 395 Ca -0.01 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.78 1xdj h GLN 395 Cb 0.55 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.26 1xdj h GLN 395 CO -0.18 0.01 0.31 0.00 -0.67 0.00 0.00 178.83 178.30 1xdj h ARG 396 N 0.01 0.54 -0.05 1.46 2.47 -0.86 1.02 114.38 118.95 1xdj h ARG 396 Ca 0.33 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1xdj h ARG 396 Cb 0.52 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1xdj h ARG 396 CO -0.70 0.35 0.03 0.93 0.56 0.00 0.00 179.97 181.14 1xdj h GLU 397 N 0.55 0.08 0.22 0.04 4.39 0.30 0.11 114.58 120.27 1xdj h GLU 397 Ca 0.32 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1xdj h GLU 397 Cb 0.32 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1xdj h GLU 397 CO -0.25 0.16 -0.11 -0.09 -1.16 0.00 0.00 179.01 177.56 1xdj h ARG 398 N -0.03 -0.29 -0.32 2.33 2.43 0.25 -3.32 114.38 115.44 1xdj h ARG 398 Ca 0.02 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1xdj h ARG 398 Cb 0.11 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1xdj h ARG 398 CO -0.00 -0.13 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.10 1xdj h LEU 399 N -0.38 0.70 2.65 3.80 -0.00 0.11 -3.48 115.31 118.71 1xdj h LEU 399 Ca -0.03 -0.41 -0.38 0.00 -0.00 0.00 0.00 57.88 57.06 1xdj h LEU 399 Cb 0.29 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 1xdj h LEU 399 CO 0.05 0.95 -0.48 0.59 -0.00 0.00 0.00 178.44 179.55 1xdj n ASN 400 N -4.36 -5.50 -4.79 -0.43 3.02 0.02 -4.96 115.26 98.26 1xdj n ASN 400 Ca -0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.18 1xdj n ASN 400 Cb 0.39 -4.55 -0.01 0.00 -0.61 0.00 0.00 39.78 34.99 1xdj n ASN 400 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xdj s LEU 401 N -5.45 3.77 0.86 3.41 1.43 -1.26 -5.04 118.68 116.40 1xdj s LEU 401 Ca 0.00 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.02 1xdj s LEU 401 Cb 0.00 -4.57 0.11 0.00 0.03 0.00 0.00 46.19 41.76 1xdj s LEU 401 CO 0.00 -1.02 1.13 -2.16 0.23 0.00 0.00 176.35 174.53 1xdj s PRO 402 N -3.32 1.59 0.36 1.29 0.04 -1.26 -4.99 135.00 128.71 1xdj s PRO 402 Ca 0.70 0.37 -0.28 0.00 0.04 0.00 0.00 61.00 61.83 1xdj s PRO 402 Cb -0.20 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1xdj s PRO 402 CO 0.24 -1.91 1.36 -1.17 0.04 0.00 0.00 177.00 175.56 1xdj s LEU 403 N -5.87 4.36 -1.13 -3.56 1.98 -1.26 -2.98 118.68 110.22 1xdj s LEU 403 Ca 0.62 2.78 -0.06 0.00 -2.89 0.00 0.00 54.13 54.58 1xdj s LEU 403 Cb -0.14 -3.70 -0.04 0.00 0.66 0.00 0.00 46.19 42.98 1xdj s LEU 403 CO 0.53 -0.68 0.89 0.49 -1.89 0.00 0.00 176.35 175.69 1xdj n PHE 404 N 0.60 -2.26 -2.17 5.38 3.72 -1.25 -4.86 117.46 116.62 1xdj n PHE 404 Ca 0.01 0.81 -0.41 0.00 -0.05 0.00 0.00 57.45 57.81 1xdj n PHE 404 Cb 0.41 -4.25 -0.03 0.00 -0.94 0.00 0.00 39.48 34.68 1xdj n PHE 404 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xdj s PRO 405 N -5.03 4.38 0.04 -1.08 0.04 -1.16 -4.61 135.00 127.58 1xdj s PRO 405 Ca 0.31 2.14 -0.00 0.00 0.04 0.00 0.00 61.00 63.49 1xdj s PRO 405 Cb -0.06 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1xdj s PRO 405 CO 0.77 -0.20 0.16 0.95 0.04 0.00 0.00 177.00 178.71 1xdj s THR 406 N -0.57 5.15 0.34 1.26 -4.23 -1.26 -1.13 115.64 115.20 1xdj s THR 406 Ca 0.53 -0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 1xdj s THR 406 Cb -0.38 -3.46 0.05 0.00 1.34 0.00 0.00 72.50 70.05 1xdj s THR 406 CO 0.46 0.21 0.67 1.07 -0.54 0.00 0.00 174.62 176.48 1xdj n THR 407 N 0.60 0.00 -4.50 3.99 5.66 -0.74 -2.05 114.28 117.23 1xdj n THR 407 Ca -0.08 -0.87 -0.24 0.00 -3.05 0.00 0.00 64.05 59.81 1xdj n THR 407 Cb 0.52 0.85 -0.09 0.00 -1.55 0.00 0.00 70.33 70.05 1xdj n THR 407 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1xdj s THR 408 N -2.25 0.93 -0.29 1.09 -4.23 -1.26 -4.14 115.64 105.50 1xdj s THR 408 Ca 0.14 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.85 1xdj s THR 408 Cb -0.04 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.39 1xdj s THR 408 CO 0.10 0.00 1.38 0.40 -0.54 0.00 0.00 174.62 175.96 1xdj h ILE 409 N 1.92 0.31 0.00 2.99 1.08 -1.87 -3.48 117.51 118.46 1xdj h ILE 409 Ca -0.39 -1.47 0.00 0.00 -0.39 0.00 0.00 64.86 62.61 1xdj h ILE 409 Cb 1.26 2.04 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 1xdj h ILE 409 CO 0.64 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 178.89 1xdj n GLY 410 N 1.18 2.01 3.89 5.37 0.00 -1.26 -4.82 105.19 111.57 1xdj n GLY 410 Ca 0.01 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1xdj n GLY 410 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xdj s SER 411 N 0.00 6.50 0.30 1.61 1.04 -1.26 -2.68 113.70 119.21 1xdj s SER 411 Ca 0.00 0.79 0.11 0.00 0.48 0.00 0.00 55.95 57.33 1xdj s SER 411 Cb 0.00 -2.18 -0.06 0.00 0.10 0.00 0.00 66.02 63.89 1xdj s SER 411 CO 0.00 -0.17 -0.15 -0.36 0.98 0.00 0.00 173.24 173.53 1xdj s PHE 412 N -2.03 2.30 0.99 5.02 2.99 -0.91 -1.45 117.98 124.90 1xdj s PHE 412 Ca 0.45 -0.42 -0.16 0.00 0.00 0.00 0.00 56.93 56.81 1xdj s PHE 412 Cb -0.11 -1.14 -0.03 0.00 0.00 0.00 0.00 43.02 41.74 1xdj s PHE 412 CO 0.28 0.64 -0.17 -2.30 -0.00 0.00 0.00 175.22 173.67 1xdj n PRO 413 N -0.68 -0.35 -4.11 0.24 -0.02 -1.10 -3.94 135.00 125.04 1xdj n PRO 413 Ca -0.05 -0.08 -0.33 0.00 -2.02 0.00 0.00 63.50 61.02 1xdj n PRO 413 Cb 0.61 -1.51 -0.16 0.00 -0.02 0.00 0.00 33.50 32.43 1xdj n PRO 413 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xdj s GLN 414 N -2.99 2.89 0.73 -0.52 -0.21 -1.26 -4.94 119.66 113.37 1xdj s GLN 414 Ca 0.50 -0.90 -0.13 0.00 0.02 0.00 0.00 55.36 54.85 1xdj s GLN 414 Cb -0.17 -2.63 0.04 0.00 1.00 0.00 0.00 33.01 31.26 1xdj s GLN 414 CO 0.72 -0.26 1.13 0.99 -2.12 0.00 0.00 175.29 175.74 1xdj s THR 415 N 1.27 2.97 0.45 -0.19 2.01 -1.26 -4.84 115.64 116.05 1xdj s THR 415 Ca 0.03 0.40 0.20 0.00 0.31 0.00 0.00 61.69 62.64 1xdj s THR 415 Cb -0.14 -2.87 0.24 0.00 0.01 0.00 0.00 72.50 69.74 1xdj s THR 415 CO -0.12 -0.33 2.05 1.55 -0.69 0.00 0.00 174.62 177.08 1xdj h PRO 416 N -0.54 0.00 -0.58 4.92 0.13 -1.99 -0.70 132.00 133.23 1xdj h PRO 416 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 1xdj h PRO 416 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1xdj h PRO 416 CO 0.51 0.14 0.16 0.93 -0.23 0.00 0.00 178.00 179.51 1xdj h GLU 417 N 0.00 0.89 -0.30 0.86 3.07 -1.98 0.21 114.58 117.32 1xdj h GLU 417 Ca -0.00 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 1xdj h GLU 417 Cb 0.29 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1xdj h GLU 417 CO 0.02 0.78 0.15 0.28 -1.40 0.00 0.00 179.01 178.84 1xdj h VAL 418 N 0.86 1.15 0.36 3.13 2.07 -1.48 -3.11 116.25 119.22 1xdj h VAL 418 Ca 0.19 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1xdj h VAL 418 Cb 0.28 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1xdj h VAL 418 CO -0.00 0.15 -0.17 0.03 0.02 0.00 0.00 177.57 177.60 1xdj h ARG 419 N 0.36 -0.46 -0.08 1.57 3.08 -0.91 -1.99 114.38 115.95 1xdj h ARG 419 Ca 0.10 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1xdj h ARG 419 Cb 0.11 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1xdj h ARG 419 CO -0.01 -0.20 0.00 0.36 -1.07 0.00 0.00 179.97 179.05 1xdj n LYS 420 N -5.22 0.00 0.00 0.04 2.85 0.70 -2.38 118.16 114.14 1xdj n LYS 420 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1xdj n LYS 420 Cb 0.25 -0.87 0.00 0.00 -0.65 0.00 0.00 35.03 33.76 1xdj n LYS 420 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1xdj n ARG 422 N 0.38 0.00 -0.07 -1.58 0.63 -0.75 -2.15 116.66 113.12 1xdj n ARG 422 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 1xdj n ARG 422 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1xdj n ARG 422 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1xdj h SER 423 N 0.00 0.77 -0.77 6.15 0.02 -1.74 -2.88 113.55 115.10 1xdj h SER 423 Ca 0.00 -0.54 0.03 0.00 -0.84 0.00 0.00 61.79 60.45 1xdj h SER 423 Cb 0.00 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 1xdj h SER 423 CO 0.00 1.16 0.50 0.11 -1.14 0.00 0.00 176.83 177.46 1xdj h LYS 424 N 0.40 0.91 -0.49 3.45 1.57 -1.71 0.16 116.57 120.87 1xdj h LYS 424 Ca 0.01 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1xdj h LYS 424 Cb 1.02 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1xdj h LYS 424 CO 0.09 0.60 0.03 -0.92 -0.57 0.00 0.00 179.45 178.69 1xdj h TYR 425 N 0.94 0.91 0.31 -1.35 -0.00 -1.84 0.36 116.97 116.30 1xdj h TYR 425 Ca 0.30 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.73 58.87 1xdj h TYR 425 Cb 0.04 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 36.53 1xdj h TYR 425 CO -0.00 0.85 -0.15 0.00 -0.00 0.00 0.00 178.16 178.86 1xdj h ARG 426 N 0.71 -0.40 0.00 1.82 2.47 -1.13 -1.99 114.38 115.86 1xdj h ARG 426 Ca 0.14 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1xdj h ARG 426 Cb 0.46 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1xdj h ARG 426 CO 0.02 -0.16 0.00 0.87 0.56 0.00 0.00 179.97 181.26 1xdj h LYS 427 N -0.57 0.00 0.00 0.04 1.57 -0.61 -3.45 116.57 113.55 1xdj h LYS 427 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xdj h LYS 427 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1xdj h LYS 427 CO 0.07 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.36 1xdj n GLY 428 N -1.17 0.77 0.31 3.86 0.00 0.23 -4.95 105.19 104.23 1xdj n GLY 428 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1xdj n GLY 428 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xdj h GLU 429 N 3.03 0.67 -5.83 1.61 5.08 -0.66 -3.43 114.58 115.04 1xdj h GLU 429 Ca 0.00 -0.04 -0.59 0.00 -1.00 0.00 0.00 59.36 57.73 1xdj h GLU 429 Cb 0.00 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.03 1xdj h GLU 429 CO 0.00 0.44 -0.37 0.96 -1.00 0.00 0.00 179.01 179.04 1xdj s ILE 430 N -5.99 1.74 0.47 3.13 -4.36 -1.22 -5.03 121.20 109.95 1xdj s ILE 430 Ca -0.12 -1.59 0.04 0.00 -0.26 0.00 0.00 60.65 58.71 1xdj s ILE 430 Cb 0.21 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.60 1xdj s ILE 430 CO 0.78 0.00 0.66 -0.94 0.24 0.00 0.00 174.94 175.68 1xdj s SER 431 N -4.15 5.56 0.13 4.36 1.04 -1.26 -4.78 113.70 114.60 1xdj s SER 431 Ca 0.32 -0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.48 1xdj s SER 431 Cb -0.01 -0.98 -0.03 0.00 0.10 0.00 0.00 66.02 65.11 1xdj s SER 431 CO 0.19 -0.87 1.77 0.07 0.98 0.00 0.00 173.24 175.37 1xdj h LYS 432 N 0.38 0.43 -0.33 4.02 -0.00 -1.98 -1.20 116.57 117.90 1xdj h LYS 432 Ca -0.43 -0.04 0.03 0.00 -0.00 0.00 0.00 60.65 60.22 1xdj h LYS 432 Cb 1.28 -0.09 -0.03 0.00 -0.00 0.00 0.00 32.23 33.39 1xdj h LYS 432 CO 0.51 0.32 0.13 1.05 -0.00 0.00 0.00 179.45 181.46 1xdj h GLU 433 N 0.41 0.27 -0.67 0.07 -0.00 -1.98 0.32 114.58 113.01 1xdj h GLU 433 Ca 0.11 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.36 59.40 1xdj h GLU 433 Cb -0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 28.66 1xdj h GLU 433 CO -0.02 0.18 0.19 0.93 -0.00 0.00 0.00 179.01 180.29 1xdj h GLU 434 N 0.28 1.03 -0.12 1.06 5.08 -1.87 -0.39 114.58 119.64 1xdj h GLU 434 Ca 0.14 -0.22 -0.21 0.00 -1.00 0.00 0.00 59.36 58.07 1xdj h GLU 434 Cb 0.10 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1xdj h GLU 434 CO -0.13 0.89 -0.78 -0.92 -1.00 0.00 0.00 179.01 177.07 1xdj h TYR 435 N 0.99 0.91 -0.66 4.33 -0.00 -0.98 -2.43 116.97 119.14 1xdj h TYR 435 Ca 0.22 -0.41 0.07 0.00 -0.00 0.00 0.00 58.73 58.60 1xdj h TYR 435 Cb 0.30 -0.14 -0.06 0.00 -0.00 0.00 0.00 36.73 36.83 1xdj h TYR 435 CO 0.02 1.22 0.35 1.49 -0.00 0.00 0.00 178.16 181.24 1xdj h GLU 436 N 0.45 0.62 -0.46 1.82 4.81 -0.04 -0.90 114.58 120.87 1xdj h GLU 436 Ca -0.05 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 1xdj h GLU 436 Cb 1.40 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1xdj h GLU 436 CO 0.15 0.41 -0.21 0.00 -0.73 0.00 0.00 179.01 178.63 1xdj h ALA 437 N 1.36 0.75 -0.19 2.92 0.00 -0.99 -2.69 119.26 120.41 1xdj h ALA 437 Ca 0.30 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xdj h ALA 437 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xdj h ALA 437 CO -0.20 0.66 0.08 0.35 0.00 0.00 0.00 179.25 180.14 1xdj h PHE 438 N 0.81 0.29 -0.50 0.00 3.57 -0.89 -2.62 116.94 117.61 1xdj h PHE 438 Ca 0.11 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1xdj h PHE 438 Cb 0.77 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1xdj h PHE 438 CO 0.05 0.33 0.29 0.82 -2.23 0.00 0.00 178.31 177.58 1xdj h ILE 439 N 0.17 1.04 -0.53 1.41 1.08 -1.15 -1.83 117.51 117.71 1xdj h ILE 439 Ca 0.07 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1xdj h ILE 439 Cb 0.16 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 1xdj h ILE 439 CO -0.01 0.11 0.29 0.11 -0.69 0.00 0.00 178.15 177.97 1xdj h LYS 440 N 0.58 0.72 -0.22 2.37 1.57 -1.38 0.34 116.57 120.56 1xdj h LYS 440 Ca 0.20 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1xdj h LYS 440 Cb 0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1xdj h LYS 440 CO -0.10 0.53 -0.26 0.93 -0.57 0.00 0.00 179.45 179.98 1xdj h GLU 441 N 0.73 0.41 -0.31 3.15 5.08 -1.03 0.31 114.58 122.91 1xdj h GLU 441 Ca 0.19 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 1xdj h GLU 441 Cb 0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1xdj h GLU 441 CO -0.03 0.64 -0.39 1.96 -1.00 0.00 0.00 179.01 180.20 1xdj h GLN 442 N 0.36 0.82 0.21 2.33 1.08 -0.27 -1.35 115.11 118.29 1xdj h GLN 442 Ca 0.05 -0.46 -0.01 0.00 -1.45 0.00 0.00 58.65 56.78 1xdj h GLN 442 Cb 0.66 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1xdj h GLN 442 CO 0.05 1.09 -0.10 0.82 -0.95 0.00 0.00 178.83 179.74 1xdj h ILE 443 N 0.59 0.88 -0.54 2.54 2.04 -0.04 -1.68 117.51 121.30 1xdj h ILE 443 Ca 0.04 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.28 1xdj h ILE 443 Cb 0.98 1.28 -0.08 0.00 -0.74 0.00 0.00 36.82 38.26 1xdj h ILE 443 CO 0.09 0.15 0.08 0.50 0.00 0.00 0.00 178.15 178.97 1xdj h LYS 444 N -0.65 0.20 -0.98 2.37 3.64 -0.44 0.27 116.57 120.97 1xdj h LYS 444 Ca -0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1xdj h LYS 444 Cb 0.47 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 1xdj h LYS 444 CO 0.05 0.13 0.64 0.87 -2.27 0.00 0.00 179.45 178.87 1xdj h LYS 445 N 0.20 1.23 -0.21 1.90 1.57 -1.21 -2.31 116.57 117.74 1xdj h LYS 445 Ca 0.28 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 1xdj h LYS 445 Cb 0.41 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1xdj h LYS 445 CO -0.39 0.81 -0.15 0.00 -0.57 0.00 0.00 179.45 179.15 1xdj h ALA 446 N 1.42 0.31 -0.54 3.86 0.00 0.06 -2.78 119.26 121.58 1xdj h ALA 446 Ca 0.38 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xdj h ALA 446 Cb -0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1xdj h ALA 446 CO -0.11 0.19 0.31 0.82 0.00 0.00 0.00 179.25 180.47 1xdj h ILE 447 N 0.17 1.02 -0.44 0.00 1.08 -0.36 -1.47 117.51 117.51 1xdj h ILE 447 Ca 0.04 -0.21 -0.07 0.00 -0.39 0.00 0.00 64.86 64.23 1xdj h ILE 447 Cb 0.67 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1xdj h ILE 447 CO 0.04 0.11 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.26 1xdj h GLU 448 N 0.61 0.73 -0.20 2.37 5.08 -1.45 -0.40 114.58 121.31 1xdj h GLU 448 Ca 0.23 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1xdj h GLU 448 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1xdj h GLU 448 CO -0.12 0.75 -0.04 1.25 -1.00 0.00 0.00 179.01 179.86 1xdj h LEU 449 N 0.68 0.38 -0.72 1.33 5.85 -1.18 -0.47 115.31 121.18 1xdj h LEU 449 Ca 0.13 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1xdj h LEU 449 Cb 0.45 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1xdj h LEU 449 CO 0.02 0.64 0.19 1.56 -0.34 0.00 0.00 178.44 180.51 1xdj h GLN 450 N 0.11 1.15 -0.66 1.25 4.20 -1.10 0.17 115.11 120.23 1xdj h GLN 450 Ca 0.05 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 1xdj h GLN 450 Cb 0.47 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1xdj h GLN 450 CO 0.02 1.00 0.10 0.93 -0.67 0.00 0.00 178.83 180.21 1xdj h GLU 451 N 1.09 1.09 0.00 1.46 5.08 -0.99 -1.01 114.58 121.30 1xdj h GLU 451 Ca 0.23 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1xdj h GLU 451 Cb 0.36 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xdj h GLU 451 CO 0.00 1.00 -0.28 1.49 -1.00 0.00 0.00 179.01 180.21 1xdj h GLU 452 N 1.02 0.00 0.06 2.33 4.22 -0.64 -2.99 114.58 118.58 1xdj h GLU 452 Ca 0.20 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.36 1xdj h GLU 452 Cb 0.44 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.71 1xdj h GLU 452 CO 0.01 0.28 -1.12 0.82 -2.18 0.00 0.00 179.01 176.82 1xdj h ILE 453 N 0.00 1.31 0.00 2.32 1.08 -0.22 -3.48 117.51 118.51 1xdj h ILE 453 Ca -0.00 -2.40 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1xdj h ILE 453 Cb 0.90 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 37.19 1xdj h ILE 453 CO 0.04 0.73 0.00 0.61 -0.69 0.00 0.00 178.15 178.84 1xdj n GLY 454 N 1.21 1.56 3.76 5.37 0.00 -0.42 -4.89 105.19 111.78 1xdj n GLY 454 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1xdj n GLY 454 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xdj s LEU 455 N 0.00 3.75 -0.07 0.99 1.43 -0.99 -4.98 118.68 118.82 1xdj s LEU 455 Ca 0.00 2.30 -0.03 0.00 -1.03 0.00 0.00 54.13 55.37 1xdj s LEU 455 Cb 0.00 -4.54 -0.27 0.00 0.03 0.00 0.00 46.19 41.42 1xdj s LEU 455 CO 0.00 -1.34 0.58 0.44 0.23 0.00 0.00 176.35 176.26 1xdj h ASP 456 N 1.20 0.36 -3.26 2.29 5.19 -1.80 -3.46 116.42 116.94 1xdj h ASP 456 Ca -0.50 -0.68 -0.56 0.00 -0.62 0.00 0.00 57.03 54.67 1xdj h ASP 456 Cb 1.28 -0.12 -0.35 0.00 0.18 0.00 0.00 39.33 40.32 1xdj h ASP 456 CO 0.57 1.59 -0.82 -0.69 -3.12 0.00 0.00 179.24 176.77 1xdj s VAL 457 N -2.58 1.32 0.32 -1.35 1.01 -0.87 -4.37 120.40 113.88 1xdj s VAL 457 Ca -0.15 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.37 1xdj s VAL 457 Cb 0.07 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1xdj s VAL 457 CO 0.81 0.41 0.41 -0.76 0.00 0.00 0.00 175.10 175.97 1xdj s LEU 458 N 1.16 3.92 0.17 3.92 1.43 -0.31 -4.20 118.68 124.77 1xdj s LEU 458 Ca -0.04 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1xdj s LEU 458 Cb -0.14 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1xdj s LEU 458 CO -0.03 -0.36 -0.12 0.68 0.23 0.00 0.00 176.35 176.74 1xdj s VAL 459 N -2.18 1.41 -1.34 -1.59 -7.23 -1.26 -0.78 120.40 107.43 1xdj s VAL 459 Ca 0.43 -2.08 0.29 0.00 -1.81 0.00 0.00 61.98 58.80 1xdj s VAL 459 Cb -0.09 -1.89 0.36 0.00 0.56 0.00 0.00 36.38 35.32 1xdj s VAL 459 CO 0.30 -0.65 1.87 0.00 -0.31 0.00 0.00 175.10 176.31 1xdj n HIS 460 N -0.19 0.00 0.00 2.82 1.44 -1.26 -4.79 115.22 113.25 1xdj n HIS 460 Ca -0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.61 1xdj n HIS 460 Cb 0.60 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 30.41 1xdj n HIS 460 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xdj n GLY 461 N 1.37 2.70 3.98 -1.39 0.00 -1.09 -4.54 105.19 106.22 1xdj n GLY 461 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1xdj n GLY 461 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xdj n GLU 462 N -2.00 -4.85 0.21 1.61 1.02 -1.25 -2.14 120.64 113.24 1xdj n GLU 462 Ca 0.00 0.54 0.08 0.00 -0.02 0.00 0.00 57.16 57.76 1xdj n GLU 462 Cb 0.00 -5.34 0.42 0.00 -0.02 0.00 0.00 31.44 26.50 1xdj n GLU 462 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1xdj h PHE 463 N -1.93 0.00 -0.01 -0.32 0.04 -1.93 -3.03 116.94 109.77 1xdj h PHE 463 Ca -0.59 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.18 1xdj h PHE 463 Cb 1.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.53 1xdj h PHE 463 CO 0.58 0.28 -0.00 -0.85 -0.60 0.00 0.00 178.31 177.71 1xdj n GLU 464 N -3.47 1.41 -4.43 1.51 0.00 -1.26 -4.87 120.64 109.52 1xdj n GLU 464 Ca -0.00 -0.61 -0.34 0.00 0.00 0.00 0.00 57.16 56.21 1xdj n GLU 464 Cb 0.45 -1.49 -0.11 0.00 0.00 0.00 0.00 31.44 30.29 1xdj n GLU 464 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1xdj s ARG 465 N -2.01 3.37 0.04 3.44 0.52 -1.15 -4.99 118.95 118.17 1xdj s ARG 465 Ca 0.41 -0.50 -0.19 0.00 -0.52 0.00 0.00 55.73 54.93 1xdj s ARG 465 Cb 0.21 -2.83 -0.15 0.00 0.52 0.00 0.00 34.95 32.70 1xdj s ARG 465 CO 0.35 0.42 1.30 0.00 0.02 0.00 0.00 175.30 177.39 1xdj h THR 466 N 4.77 1.36 0.00 0.02 1.03 -1.89 -3.50 112.91 114.70 1xdj h THR 466 Ca -0.38 -1.51 0.00 0.00 -0.01 0.00 0.00 66.41 64.51 1xdj h THR 466 Cb 1.19 1.99 0.00 0.00 -1.07 0.00 0.00 68.15 70.25 1xdj h THR 466 CO 0.59 0.45 0.00 -0.90 -0.01 0.00 0.00 175.52 175.65 1xdj n ASP 467 N -4.43 0.00 0.00 0.00 5.68 -1.26 -5.03 116.55 111.51 1xdj n ASP 467 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1xdj n ASP 467 Cb 0.45 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1xdj n ASP 467 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1xdj n VAL 469 N 0.00 0.00 -0.11 2.12 0.31 -1.26 -2.36 118.33 117.03 1xdj n VAL 469 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1xdj n VAL 469 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1xdj n VAL 469 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1xdj h GLU 470 N 0.00 0.03 -0.80 5.55 5.08 -1.97 -0.68 114.58 121.79 1xdj h GLU 470 Ca 0.00 -0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1xdj h GLU 470 Cb 0.00 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.11 1xdj h GLU 470 CO 0.00 0.02 0.11 0.35 -1.00 0.00 0.00 179.01 178.49 1xdj h PHE 471 N 0.03 0.14 0.02 4.33 3.57 -1.87 -0.43 116.94 122.73 1xdj h PHE 471 Ca 0.18 0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.53 1xdj h PHE 471 Cb 0.27 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1xdj h PHE 471 CO -0.31 -0.21 -0.93 0.74 -2.23 0.00 0.00 178.31 175.37 1xdj h PHE 472 N 0.17 0.17 -0.84 0.41 -1.00 -1.59 -3.30 116.94 110.97 1xdj h PHE 472 Ca 0.46 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 61.13 1xdj h PHE 472 Cb 0.85 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.36 1xdj h PHE 472 CO -0.34 0.97 0.49 0.00 -1.61 0.00 0.00 178.31 177.82 1xdj h ALA 473 N 0.99 1.30 0.00 2.45 0.00 0.37 -1.49 119.26 122.88 1xdj h ALA 473 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xdj h ALA 473 Cb 1.60 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xdj h ALA 473 CO 0.13 0.60 0.00 0.39 0.00 0.00 0.00 179.25 180.37 1xdj n GLU 474 N -4.37 0.18 0.00 0.00 1.02 -0.88 -3.03 120.64 113.57 1xdj n GLU 474 Ca 0.09 0.33 0.06 0.00 -0.02 0.00 0.00 57.16 57.62 1xdj n GLU 474 Cb 0.07 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1xdj n GLU 474 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xdj n LYS 475 N -2.13 1.85 -4.14 3.49 5.02 -0.69 -4.97 118.16 116.59 1xdj n LYS 475 Ca 0.03 -0.72 -0.36 0.00 -2.02 0.00 0.00 58.31 55.24 1xdj n LYS 475 Cb 0.28 -1.17 -0.08 0.00 -0.02 0.00 0.00 35.03 34.05 1xdj n LYS 475 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xdj s LEU 476 N -1.75 3.97 0.44 -0.35 2.01 -0.65 -4.42 118.68 117.92 1xdj s LEU 476 Ca 0.11 0.30 -0.21 0.00 0.01 0.00 0.00 54.13 54.34 1xdj s LEU 476 Cb 0.10 -1.94 -0.11 0.00 0.01 0.00 0.00 46.19 44.26 1xdj s LEU 476 CO 0.31 0.39 0.97 0.20 1.01 0.00 0.00 176.35 179.23 1xdj s ASN 477 N -0.95 6.84 0.00 2.29 0.01 0.31 -3.55 114.94 119.89 1xdj s ASN 477 Ca 0.14 1.73 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 1xdj s ASN 477 Cb -0.12 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1xdj s ASN 477 CO 0.03 -0.43 0.00 0.61 -1.51 0.00 0.00 177.10 175.80 1xdj n GLY 478 N -0.56 1.47 3.25 0.66 0.00 -1.25 -3.06 105.19 105.69 1xdj n GLY 478 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1xdj n GLY 478 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xdj s ILE 479 N -2.84 2.11 0.16 -0.61 1.01 -1.23 -1.17 121.20 118.63 1xdj s ILE 479 Ca 0.00 -1.02 0.10 0.00 0.00 0.00 0.00 60.65 59.73 1xdj s ILE 479 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1xdj s ILE 479 CO 0.00 0.56 -0.22 0.00 0.00 0.00 0.00 174.94 175.29 1xdj s ALA 480 N 0.16 2.16 0.16 9.38 0.00 0.19 -4.81 121.76 129.01 1xdj s ALA 480 Ca -0.13 -1.48 0.09 0.00 0.00 0.00 0.00 51.96 50.44 1xdj s ALA 480 Cb -0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1xdj s ALA 480 CO 0.07 0.36 -0.15 0.95 0.00 0.00 0.00 175.76 176.99 1xdj s THR 481 N -1.62 2.91 0.56 0.00 -4.23 -1.26 0.59 115.64 112.60 1xdj s THR 481 Ca 0.15 -1.69 0.09 0.00 -1.18 0.00 0.00 61.69 59.07 1xdj s THR 481 Cb -0.08 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.44 1xdj s THR 481 CO 0.07 -0.05 0.75 0.42 -0.54 0.00 0.00 174.62 175.27 1xdj s THR 482 N -1.53 2.17 -0.25 3.99 -4.23 -1.26 -4.86 115.64 109.67 1xdj s THR 482 Ca 0.22 -1.04 -0.10 0.00 -1.18 0.00 0.00 61.69 59.60 1xdj s THR 482 Cb -0.09 -2.20 -0.16 0.00 1.34 0.00 0.00 72.50 71.39 1xdj s THR 482 CO 0.13 0.00 -0.18 0.00 -0.54 0.00 0.00 174.62 174.02 1xdj n GLN 483 N -2.18 0.62 0.00 3.99 6.02 -1.26 -4.73 117.38 119.83 1xdj n GLN 483 Ca 0.14 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1xdj n GLN 483 Cb 0.62 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1xdj n GLN 483 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xdj n ASN 484 N -3.92 1.33 -3.06 1.08 3.02 -1.26 -4.90 115.26 107.55 1xdj n ASN 484 Ca -0.47 -1.54 -0.13 0.00 -0.03 0.00 0.00 54.58 52.41 1xdj n ASN 484 Cb 0.90 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.06 1xdj n ASN 484 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xdj n GLY 485 N -0.27 2.53 3.74 7.41 0.00 -1.26 -4.81 105.19 112.53 1xdj n GLY 485 Ca 0.00 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 1xdj n GLY 485 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xdj s TRP 486 N 3.87 3.88 0.00 1.61 0.52 -1.26 -4.00 118.94 123.56 1xdj s TRP 486 Ca 0.25 1.85 0.04 0.00 0.02 0.00 0.00 56.10 58.26 1xdj s TRP 486 Cb 0.07 -3.04 -0.01 0.00 -1.15 0.00 0.00 33.47 29.33 1xdj s TRP 486 CO -0.02 0.24 -0.12 0.08 0.02 0.00 0.00 176.95 177.14 1xdj s VAL 487 N -0.78 0.98 0.08 4.03 1.01 0.75 -4.33 120.40 122.14 1xdj s VAL 487 Ca 0.44 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 1xdj s VAL 487 Cb -0.26 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 1xdj s VAL 487 CO 0.32 0.19 1.30 -0.22 0.00 0.00 0.00 175.10 176.69 1xdj s LEU 488 N -0.51 4.37 -0.22 3.92 0.20 -1.26 -0.27 118.68 124.90 1xdj s LEU 488 Ca 0.04 2.16 -0.03 0.00 0.69 0.00 0.00 54.13 56.99 1xdj s LEU 488 Cb -0.05 -3.58 -0.13 0.00 -0.43 0.00 0.00 46.19 42.00 1xdj s LEU 488 CO -0.00 -0.57 -0.23 -1.20 -0.29 0.00 0.00 176.35 174.06 1xdj n SER 489 N 4.00 2.06 0.00 3.68 7.64 -0.48 -4.57 113.62 125.94 1xdj n SER 489 Ca 0.10 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1xdj n SER 489 Cb 0.44 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1xdj n SER 489 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xdj n TYR 490 N -3.48 0.00 0.00 1.43 0.18 -1.19 -0.02 117.16 114.08 1xdj n TYR 490 Ca -0.41 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.37 1xdj n TYR 490 Cb 0.88 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.84 1xdj n TYR 490 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xdj n GLY 491 N -0.09 2.61 0.69 -7.48 0.00 -1.25 -0.83 105.19 98.83 1xdj n GLY 491 Ca 0.00 0.33 0.07 0.00 0.00 0.00 0.00 46.02 46.42 1xdj n GLY 491 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xdj n SER 492 N 4.80 2.74 -4.72 1.61 3.41 -1.26 -4.90 113.62 115.30 1xdj n SER 492 Ca 0.00 -1.83 -0.38 0.00 -0.26 0.00 0.00 58.87 56.40 1xdj n SER 492 Cb 0.00 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 1xdj n SER 492 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xdj s ARG 493 N -1.06 4.34 0.36 4.33 3.52 -0.01 -4.77 118.95 125.66 1xdj s ARG 493 Ca 0.23 0.48 0.08 0.00 -0.13 0.00 0.00 55.73 56.40 1xdj s ARG 493 Cb 0.13 -3.44 -0.07 0.00 -1.56 0.00 0.00 34.95 30.01 1xdj s ARG 493 CO 0.18 0.13 -0.05 0.00 -0.81 0.00 0.00 175.30 174.76 1xdj s TYR 495 N -2.73 -0.32 -0.51 0.00 5.04 0.63 -4.88 117.35 114.58 1xdj s TYR 495 Ca 0.33 0.71 -0.16 0.00 -2.44 0.00 0.00 57.07 55.51 1xdj s TYR 495 Cb 0.05 0.12 0.10 0.00 0.35 0.00 0.00 41.96 42.59 1xdj s TYR 495 CO 0.16 -0.26 0.46 1.03 -1.34 0.00 0.00 175.55 175.60 1xdj s ARG 496 N -0.36 2.99 0.18 4.97 0.52 -1.26 -0.18 118.95 125.81 1xdj s ARG 496 Ca -0.05 -1.51 -0.30 0.00 -0.52 0.00 0.00 55.73 53.35 1xdj s ARG 496 Cb -0.03 -4.22 -0.08 0.00 0.52 0.00 0.00 34.95 31.14 1xdj s ARG 496 CO 0.02 -1.19 1.26 -1.25 0.02 0.00 0.00 175.30 174.16 1xdj s PRO 497 N 1.68 4.43 1.21 3.54 0.04 -1.26 -4.90 135.00 139.74 1xdj s PRO 497 Ca 0.04 1.96 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 1xdj s PRO 497 Cb -0.27 -3.22 0.29 0.00 0.04 0.00 0.00 34.50 31.34 1xdj s PRO 497 CO 0.05 -0.19 1.04 -2.14 0.04 0.00 0.00 177.00 175.79 1xdj s PRO 498 N -0.04 -1.29 -0.15 0.56 0.02 -1.26 -4.70 135.00 128.14 1xdj s PRO 498 Ca 0.56 0.34 -0.00 0.00 0.02 0.00 0.00 61.00 61.91 1xdj s PRO 498 Cb -0.34 -1.55 0.04 0.00 0.02 0.00 0.00 34.50 32.66 1xdj s PRO 498 CO 0.37 -3.84 -0.06 0.42 -0.33 0.00 0.00 177.00 173.55 1xdj s ILE 499 N -2.66 1.10 -0.83 2.83 1.01 0.20 -1.20 121.20 121.65 1xdj s ILE 499 Ca 0.68 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.61 1xdj s ILE 499 Cb -0.17 -1.23 0.13 0.00 0.01 0.00 0.00 42.46 41.20 1xdj s ILE 499 CO 0.59 0.20 0.99 -0.63 0.00 0.00 0.00 174.94 176.10 1xdj s ILE 500 N 1.65 4.82 -0.33 2.92 1.01 -0.10 0.56 121.20 131.72 1xdj s ILE 500 Ca 0.02 -1.47 0.22 0.00 0.00 0.00 0.00 60.65 59.43 1xdj s ILE 500 Cb -0.14 -4.68 -0.14 0.00 0.01 0.00 0.00 42.46 37.50 1xdj s ILE 500 CO -0.08 -1.38 0.88 0.00 0.00 0.00 0.00 174.94 174.36 1xdj n TYR 501 N 6.29 0.42 -4.02 3.97 4.11 -0.32 -2.36 117.16 125.25 1xdj n TYR 501 Ca 0.14 0.12 -0.10 0.00 -0.00 0.00 0.00 57.90 58.06 1xdj n TYR 501 Cb 0.47 -0.62 -0.03 0.00 -0.00 0.00 0.00 39.34 39.16 1xdj n TYR 501 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xdj n GLY 502 N 1.28 2.95 3.69 -7.48 0.00 -0.67 -4.72 105.19 100.24 1xdj n GLY 502 Ca -0.00 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1xdj n GLY 502 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xdj n THR 503 N -0.37 1.86 -3.71 2.61 -1.04 -0.90 -4.67 114.28 108.06 1xdj n THR 503 Ca 0.03 -0.46 -0.36 0.00 -2.04 0.00 0.00 64.05 61.21 1xdj n THR 503 Cb 0.36 -1.54 -0.10 0.00 -1.82 0.00 0.00 70.33 67.23 1xdj n THR 503 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1xdj s VAL 504 N -0.95 5.23 0.06 12.58 1.01 -1.26 -3.75 120.40 133.32 1xdj s VAL 504 Ca 0.57 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.60 1xdj s VAL 504 Cb -0.58 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1xdj s VAL 504 CO 0.60 0.36 0.18 0.42 0.00 0.00 0.00 175.10 176.66 1xdj s THR 505 N 1.00 0.13 -0.22 3.92 -4.23 -1.17 -4.48 115.64 110.59 1xdj s THR 505 Ca 0.07 -1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 59.48 1xdj s THR 505 Cb -0.13 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.59 1xdj s THR 505 CO 0.04 -0.57 0.04 0.00 -0.54 0.00 0.00 174.62 173.59 1xdj s ARG 506 N -3.08 3.72 0.05 3.99 1.70 -1.26 -0.53 118.95 123.53 1xdj s ARG 506 Ca -0.01 -0.46 -0.21 0.00 -0.47 0.00 0.00 55.73 54.58 1xdj s ARG 506 Cb 0.01 -3.21 -0.13 0.00 -0.57 0.00 0.00 34.95 31.05 1xdj s ARG 506 CO -0.07 -0.01 1.43 -1.00 -1.08 0.00 0.00 175.30 174.58 1xdj h PRO 507 N 7.61 0.27 -4.20 3.89 0.13 -1.96 -3.48 132.00 134.26 1xdj h PRO 507 Ca -0.37 -0.11 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1xdj h PRO 507 Cb 1.18 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 1xdj h PRO 507 CO 0.61 0.56 -0.49 -1.83 -0.23 0.00 0.00 178.00 176.63 1xdj s GLU 508 N -4.73 1.08 0.74 0.86 4.04 -1.26 -5.18 118.70 114.26 1xdj s GLU 508 Ca -0.14 -1.35 -0.10 0.00 0.04 0.00 0.00 54.97 53.42 1xdj s GLU 508 Cb 0.05 0.31 0.15 0.00 0.02 0.00 0.00 34.13 34.66 1xdj s GLU 508 CO 0.72 -0.36 0.34 -0.35 -1.84 0.00 0.00 175.26 173.77 1xdj n PRO 509 N -0.18 -1.31 0.00 -4.83 -0.04 -1.26 -5.07 135.00 122.32 1xdj n PRO 509 Ca -0.05 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1xdj n PRO 509 Cb 0.64 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 1xdj n PRO 509 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xdj n THR 511 N -3.98 0.00 -0.25 0.52 -2.24 -1.26 -4.96 114.28 102.11 1xdj n THR 511 Ca 0.05 0.22 0.04 0.00 -2.27 0.00 0.00 64.05 62.09 1xdj n THR 511 Cb 0.23 -0.75 0.15 0.00 -2.10 0.00 0.00 70.33 67.86 1xdj n THR 511 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xdj h LEU 512 N 0.00 -0.32 -0.46 3.22 3.38 -1.98 -1.91 115.31 117.25 1xdj h LEU 512 Ca 0.00 0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1xdj h LEU 512 Cb 0.43 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1xdj h LEU 512 CO 0.00 -0.16 0.12 0.07 0.09 0.00 0.00 178.44 178.56 1xdj h LYS 513 N 0.11 0.26 -0.08 1.13 2.10 -1.99 0.31 116.57 118.42 1xdj h LYS 513 Ca 0.39 -0.02 -0.24 0.00 -2.00 0.00 0.00 60.65 58.79 1xdj h LYS 513 Cb 0.68 -0.06 0.02 0.00 -0.90 0.00 0.00 32.23 31.97 1xdj h LYS 513 CO -0.63 0.17 -0.89 1.05 -2.00 0.00 0.00 179.45 177.16 1xdj h GLU 514 N 0.26 0.73 -0.06 0.07 9.09 -1.90 -2.07 114.58 120.71 1xdj h GLU 514 Ca 0.22 -0.69 -0.01 0.00 0.05 0.00 0.00 59.36 58.93 1xdj h GLU 514 Cb 0.26 0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1xdj h GLU 514 CO -0.27 1.28 -0.00 0.82 0.05 0.00 0.00 179.01 180.89 1xdj h ILE 515 N 0.43 1.27 -0.18 -1.06 1.08 -1.07 -0.65 117.51 117.33 1xdj h ILE 515 Ca -0.09 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1xdj h ILE 515 Cb 1.53 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 1xdj h ILE 515 CO 0.18 0.22 0.12 0.71 -0.69 0.00 0.00 178.15 178.69 1xdj h THR 516 N -0.21 1.04 -0.07 -0.27 1.35 -0.48 -1.71 112.91 112.56 1xdj h THR 516 Ca 0.02 -0.08 0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1xdj h THR 516 Cb 0.36 0.78 -0.04 0.00 -1.73 0.00 0.00 68.15 67.52 1xdj h THR 516 CO 0.00 0.04 -0.15 0.22 -0.25 0.00 0.00 175.52 175.39 1xdj h TYR 517 N 0.24 -0.38 -0.92 4.73 3.20 -1.33 -1.85 116.97 120.66 1xdj h TYR 517 Ca 0.07 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.10 1xdj h TYR 517 Cb -0.02 0.18 -0.09 0.00 1.54 0.00 0.00 36.73 38.33 1xdj h TYR 517 CO -0.07 -0.22 0.52 0.00 -1.64 0.00 0.00 178.16 176.76 1xdj h ALA 518 N 0.79 1.42 -0.18 1.82 0.00 -0.87 -2.04 119.26 120.19 1xdj h ALA 518 Ca 0.07 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1xdj h ALA 518 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xdj h ALA 518 CO -0.20 0.00 -0.35 0.37 0.00 0.00 0.00 179.25 179.07 1xdj h GLN 519 N 0.75 0.37 0.00 0.00 5.75 -0.62 -2.99 115.11 118.37 1xdj h GLN 519 Ca 0.49 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1xdj h GLN 519 Cb 0.66 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1xdj h GLN 519 CO -0.34 0.68 0.00 -1.13 -2.65 0.00 0.00 178.83 175.39 1xdj n SER 520 N -4.06 0.00 -1.09 -0.69 3.41 -0.76 -2.25 113.62 108.17 1xdj n SER 520 Ca -0.01 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1xdj n SER 520 Cb 0.46 -0.40 0.19 0.00 -0.26 0.00 0.00 64.21 64.20 1xdj n SER 520 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xdj n LEU 521 N -1.40 3.31 -3.62 1.04 4.77 -1.13 -4.97 117.00 115.01 1xdj n LEU 521 Ca 0.05 -1.33 -0.14 0.00 -0.03 0.00 0.00 56.01 54.56 1xdj n LEU 521 Cb 0.15 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1xdj n LEU 521 CO 0.12 0.67 0.23 0.28 -1.33 0.00 0.00 177.39 177.36 1xdj s THR 522 N -1.65 0.04 -0.90 -5.08 -1.32 -0.96 -4.98 115.64 100.79 1xdj s THR 522 Ca 0.36 -0.32 0.24 0.00 -1.21 0.00 0.00 61.69 60.75 1xdj s THR 522 Cb 0.22 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 70.22 1xdj s THR 522 CO 0.31 -0.18 1.27 -1.84 -2.21 0.00 0.00 174.62 171.97 1xdj n GLU 523 N 0.52 0.08 -2.91 7.08 0.00 -1.26 -4.89 120.64 119.25 1xdj n GLU 523 Ca -0.19 0.01 -0.34 0.00 0.00 0.00 0.00 57.16 56.64 1xdj n GLU 523 Cb 0.60 -1.53 -0.07 0.00 0.00 0.00 0.00 31.44 30.44 1xdj n GLU 523 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xdj s LYS 524 N -3.05 4.26 0.31 3.44 1.02 -1.26 -5.01 119.74 119.45 1xdj s LYS 524 Ca 0.09 1.04 -0.30 0.00 0.02 0.00 0.00 55.97 56.82 1xdj s LYS 524 Cb 0.16 -2.45 -0.11 0.00 -0.52 0.00 0.00 37.83 34.91 1xdj s LYS 524 CO 0.74 0.13 1.57 -2.14 -0.92 0.00 0.00 175.35 174.73 1xdj s PRO 525 N -2.75 4.12 -0.22 -1.68 0.02 -1.26 -4.84 135.00 128.39 1xdj s PRO 525 Ca 0.56 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 64.14 1xdj s PRO 525 Cb -0.12 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.40 1xdj s PRO 525 CO 0.17 -0.61 -0.11 0.08 -0.33 0.00 0.00 177.00 176.21 1xdj s VAL 526 N -0.20 2.66 0.37 3.83 1.01 -1.26 -1.17 120.40 125.64 1xdj s VAL 526 Ca 0.61 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 61.38 1xdj s VAL 526 Cb -0.47 -2.26 -0.11 0.00 0.00 0.00 0.00 36.38 33.53 1xdj s VAL 526 CO 0.50 0.34 1.50 0.29 0.00 0.00 0.00 175.10 177.74 1xdj n LYS 527 N 4.66 2.68 0.00 2.72 5.02 0.04 -4.63 118.16 128.65 1xdj n LYS 527 Ca -0.18 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1xdj n LYS 527 Cb 0.48 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 1xdj n LYS 527 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xdj n GLY 528 N 0.71 -0.31 0.00 0.72 0.00 0.11 -4.67 105.19 101.75 1xdj n GLY 528 Ca 0.02 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1xdj n GLY 528 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xdj n LEU 530 N 0.00 0.00 -4.55 0.99 4.77 0.16 -0.39 117.00 117.97 1xdj n LEU 530 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1xdj n LEU 530 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1xdj n LEU 530 CO 0.00 0.00 -0.35 -0.89 -1.33 0.00 0.00 177.39 174.82 1xdj s THR 531 N -2.00 3.93 0.92 -5.08 2.01 -1.26 -0.04 115.64 114.12 1xdj s THR 531 Ca 0.00 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 1xdj s THR 531 Cb 0.00 -2.68 0.14 0.00 0.01 0.00 0.00 72.50 69.97 1xdj s THR 531 CO 0.00 0.54 1.11 -0.83 -0.69 0.00 0.00 174.62 174.75 1xdj s GLY 532 N -0.15 1.66 0.20 4.40 0.00 0.16 -4.81 107.32 108.77 1xdj s GLY 532 Ca 0.03 0.34 -0.08 0.00 0.00 0.00 0.00 44.72 45.01 1xdj s GLY 532 CO 0.02 0.79 1.70 -0.56 0.00 0.00 0.00 173.10 175.06 1xdj h PRO 533 N -1.78 1.08 -0.31 2.90 0.13 -1.89 -2.30 132.00 129.83 1xdj h PRO 533 Ca -0.47 -0.29 -0.10 0.00 -0.87 0.00 0.00 66.00 64.28 1xdj h PRO 533 Cb 1.27 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1xdj h PRO 533 CO 0.47 0.99 -0.18 0.28 -0.23 0.00 0.00 178.00 179.33 1xdj h VAL 534 N 1.01 1.29 -0.75 1.56 2.07 -1.93 -3.14 116.25 116.36 1xdj h VAL 534 Ca 0.20 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1xdj h VAL 534 Cb 0.44 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1xdj h VAL 534 CO 0.01 0.42 0.32 0.74 0.02 0.00 0.00 177.57 179.08 1xdj h THR 535 N 0.44 1.25 0.00 2.57 2.02 -1.86 0.20 112.91 117.53 1xdj h THR 535 Ca 0.07 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1xdj h THR 535 Cb 0.72 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1xdj h THR 535 CO 0.05 0.31 0.00 -0.38 0.37 0.00 0.00 175.52 175.88 1xdj n ILE 536 N -4.34 0.00 0.00 3.11 5.41 -0.87 -2.26 119.36 120.41 1xdj n ILE 536 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1xdj n ILE 536 Cb 0.17 -0.02 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 1xdj n ILE 536 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1xdj n SER 538 N 0.45 0.00 -0.68 4.38 2.88 0.71 -3.31 113.62 118.06 1xdj n SER 538 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1xdj n SER 538 Cb 0.00 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 63.81 1xdj n SER 538 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1xdj n TRP 539 N 0.00 0.19 -4.51 0.66 7.02 -0.96 -4.96 117.44 114.89 1xdj n TRP 539 Ca 0.00 -0.10 -0.24 0.00 -1.02 0.00 0.00 57.50 56.14 1xdj n TRP 539 Cb 0.00 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 28.78 1xdj n TRP 539 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1xdj s SER 540 N -1.69 3.23 0.33 -0.99 0.01 -1.21 -4.17 113.70 109.20 1xdj s SER 540 Ca 0.34 -1.28 -0.04 0.00 1.31 0.00 0.00 55.95 56.29 1xdj s SER 540 Cb 0.19 -0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.12 1xdj s SER 540 CO 0.29 -0.39 0.58 -0.31 0.41 0.00 0.00 173.24 173.83 1xdj s TYR 541 N -2.89 3.49 0.22 2.43 2.02 -0.34 -4.96 117.35 117.33 1xdj s TYR 541 Ca 0.33 0.60 -0.15 0.00 -0.37 0.00 0.00 57.07 57.48 1xdj s TYR 541 Cb 0.06 -2.08 0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1xdj s TYR 541 CO 0.15 0.10 0.49 1.52 -1.57 0.00 0.00 175.55 176.25 1xdj s TYR 542 N -2.22 0.15 0.53 2.71 -0.85 -1.26 -0.92 117.35 115.48 1xdj s TYR 542 Ca 0.44 -0.51 -0.22 0.00 -0.52 0.00 0.00 57.07 56.25 1xdj s TYR 542 Cb -0.10 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 1xdj s TYR 542 CO 0.33 -0.95 1.37 1.03 -1.52 0.00 0.00 175.55 175.81 1xdj s ARG 543 N -3.95 3.24 -0.01 -3.49 1.81 -1.00 -4.92 118.95 110.63 1xdj s ARG 543 Ca 0.16 2.27 0.15 0.00 -1.72 0.00 0.00 55.73 56.59 1xdj s ARG 543 Cb -0.01 -2.33 -0.21 0.00 -0.45 0.00 0.00 34.95 31.95 1xdj s ARG 543 CO 0.03 -1.12 0.42 0.39 -0.68 0.00 0.00 175.30 174.34 1xdj n GLU 544 N -0.88 1.00 0.00 3.54 1.02 -1.26 -4.53 120.64 119.53 1xdj n GLU 544 Ca 0.09 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xdj n GLU 544 Cb 0.44 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1xdj n GLU 544 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1xdj n ASP 545 N -1.81 0.67 -3.70 1.62 5.75 -1.26 -4.75 116.55 113.08 1xdj n ASP 545 Ca -0.01 -1.71 -0.14 0.00 -0.01 0.00 0.00 54.79 52.92 1xdj n ASP 545 Cb 0.34 -0.34 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 1xdj n ASP 545 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1xdj s ILE 546 N -1.22 0.02 0.25 2.12 -4.36 -1.26 -5.14 121.20 111.61 1xdj s ILE 546 Ca 0.00 -0.18 -0.31 0.00 -0.26 0.00 0.00 60.65 59.90 1xdj s ILE 546 Cb 0.00 -0.70 -0.13 0.00 1.25 0.00 0.00 42.46 42.88 1xdj s ILE 546 CO 0.00 -0.10 1.44 -0.81 0.24 0.00 0.00 174.94 175.71 1xdj n PRO 547 N 1.87 2.14 -0.07 0.37 -0.04 -1.26 -4.84 135.00 133.17 1xdj n PRO 547 Ca -0.18 0.76 0.19 0.00 -0.04 0.00 0.00 63.50 64.23 1xdj n PRO 547 Cb 0.56 -2.44 0.62 0.00 -0.04 0.00 0.00 33.50 32.20 1xdj n PRO 547 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xdj h GLU 548 N 4.31 0.16 -0.35 0.54 5.08 -1.94 0.20 114.58 122.58 1xdj h GLU 548 Ca -0.45 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1xdj h GLU 548 Cb 1.27 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1xdj h GLU 548 CO 0.76 0.10 0.20 -0.09 -1.00 0.00 0.00 179.01 178.99 1xdj h ARG 549 N 0.16 0.47 -0.15 2.33 2.43 -1.96 -1.50 114.38 116.17 1xdj h ARG 549 Ca 0.31 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.26 1xdj h ARG 549 Cb 0.99 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1xdj h ARG 549 CO -0.05 0.34 -0.61 1.49 -1.51 0.00 0.00 179.97 179.64 1xdj h GLU 550 N 0.48 0.68 -0.63 0.20 4.81 -0.95 -1.87 114.58 117.30 1xdj h GLU 550 Ca 0.13 -0.53 -0.06 0.00 -0.13 0.00 0.00 59.36 58.77 1xdj h GLU 550 Cb -0.00 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1xdj h GLU 550 CO -0.02 1.15 0.17 0.82 -0.73 0.00 0.00 179.01 180.39 1xdj h ILE 551 N 0.36 1.25 -0.62 2.32 2.04 -1.37 -0.53 117.51 120.96 1xdj h ILE 551 Ca -0.03 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 1xdj h ILE 551 Cb 1.24 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1xdj h ILE 551 CO 0.13 0.34 0.23 0.00 0.00 0.00 0.00 178.15 178.85 1xdj h ALA 552 N 1.06 0.81 -0.63 1.87 0.00 -1.26 -2.10 119.26 119.01 1xdj h ALA 552 Ca 0.20 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1xdj h ALA 552 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xdj h ALA 552 CO -0.00 0.44 0.06 1.88 0.00 0.00 0.00 179.25 181.63 1xdj h TYR 553 N 0.87 1.16 -0.18 0.00 -1.99 -0.98 0.67 116.97 116.51 1xdj h TYR 553 Ca 0.21 -0.18 0.01 0.00 2.00 0.00 0.00 58.73 60.77 1xdj h TYR 553 Cb 0.23 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 1xdj h TYR 553 CO 0.01 1.00 0.08 1.96 -0.00 0.00 0.00 178.16 181.21 1xdj h GLN 554 N 0.98 0.18 -0.41 4.88 4.20 -0.85 0.28 115.11 124.37 1xdj h GLN 554 Ca 0.19 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1xdj h GLN 554 Cb 0.50 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1xdj h GLN 554 CO 0.02 0.12 -0.01 0.82 -0.67 0.00 0.00 178.83 179.11 1xdj h ILE 555 N 0.18 1.22 -0.56 2.54 2.04 -1.25 -2.05 117.51 119.63 1xdj h ILE 555 Ca 0.07 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1xdj h ILE 555 Cb 0.02 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1xdj h ILE 555 CO -0.06 0.32 0.27 0.00 0.00 0.00 0.00 178.15 178.68 1xdj h ALA 556 N 1.37 0.72 -0.70 1.87 0.00 -0.21 -0.86 119.26 121.45 1xdj h ALA 556 Ca 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xdj h ALA 556 Cb 0.40 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1xdj h ALA 556 CO 0.02 0.29 0.20 -0.07 0.00 0.00 0.00 179.25 179.68 1xdj h LEU 557 N 0.75 1.03 -0.94 0.00 -0.00 -0.69 -0.51 115.31 114.96 1xdj h LEU 557 Ca 0.19 -0.22 0.03 0.00 -0.00 0.00 0.00 57.88 57.88 1xdj h LEU 557 Cb 0.12 -0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 40.46 1xdj h LEU 557 CO -0.02 0.98 0.61 0.00 -0.00 0.00 0.00 178.44 180.01 1xdj h ALA 558 N 1.09 1.22 -0.05 1.53 0.00 -0.82 -1.08 119.26 121.16 1xdj h ALA 558 Ca 0.22 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 1xdj h ALA 558 Cb 0.33 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xdj h ALA 558 CO -0.00 0.51 -0.89 0.82 0.00 0.00 0.00 179.25 179.68 1xdj h ILE 559 N 1.20 1.33 -0.69 0.00 2.04 -0.88 -3.11 117.51 117.41 1xdj h ILE 559 Ca 0.37 -2.22 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 1xdj h ILE 559 Cb -0.04 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1xdj h ILE 559 CO -0.11 0.68 0.25 -1.13 0.00 0.00 0.00 178.15 177.85 1xdj h ASN 560 N 0.36 0.95 -0.18 1.72 -0.00 -0.77 0.21 115.58 117.88 1xdj h ASN 560 Ca -0.08 -0.15 -0.01 0.00 -0.00 0.00 0.00 56.30 56.07 1xdj h ASN 560 Cb 1.52 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 39.58 1xdj h ASN 560 CO 0.17 0.87 0.09 -0.33 -0.00 0.00 0.00 177.43 178.23 1xdj h GLU 561 N 1.01 0.29 -0.00 6.67 5.08 -1.19 -0.15 114.58 126.29 1xdj h GLU 561 Ca 0.23 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.35 1xdj h GLU 561 Cb 0.23 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xdj h GLU 561 CO -0.02 0.24 -0.91 1.49 -1.00 0.00 0.00 179.01 178.81 1xdj h GLU 562 N 0.29 0.33 -0.56 2.33 4.57 -1.18 -2.94 114.58 117.42 1xdj h GLU 562 Ca 0.08 -0.35 -0.07 0.00 -1.18 0.00 0.00 59.36 57.84 1xdj h GLU 562 Cb 0.05 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1xdj h GLU 562 CO -0.01 1.04 0.09 0.28 -1.18 0.00 0.00 179.01 179.23 1xdj h VAL 563 N 0.19 1.26 -0.87 0.32 2.07 0.68 -2.08 116.25 117.81 1xdj h VAL 563 Ca -0.06 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1xdj h VAL 563 Cb 1.54 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1xdj h VAL 563 CO 0.15 0.36 0.47 0.11 0.02 0.00 0.00 177.57 178.68 1xdj h LYS 564 N 0.82 1.22 0.11 1.57 6.56 -1.12 -1.58 116.57 124.16 1xdj h LYS 564 Ca 0.17 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1xdj h LYS 564 Cb 0.42 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 31.84 1xdj h LYS 564 CO 0.01 0.90 -0.09 -0.44 -2.06 0.00 0.00 179.45 177.77 1xdj h ASP 565 N 1.22 -0.23 -0.74 0.86 3.32 -1.31 0.23 116.42 119.78 1xdj h ASP 565 Ca 0.31 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.44 1xdj h ASP 565 Cb 0.04 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 1xdj h ASP 565 CO -0.05 -0.14 0.43 -0.07 -1.72 0.00 0.00 179.24 177.69 1xdj h LEU 566 N -0.21 0.64 0.83 1.55 3.38 -1.13 0.12 115.31 120.49 1xdj h LEU 566 Ca -0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1xdj h LEU 566 Cb 0.19 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1xdj h LEU 566 CO -0.01 0.41 -0.40 -0.33 0.09 0.00 0.00 178.44 178.20 1xdj h GLU 567 N 0.77 -1.07 -1.22 1.13 5.08 -1.00 0.18 114.58 118.46 1xdj h GLU 567 Ca 0.33 0.07 0.36 0.00 -1.00 0.00 0.00 59.36 59.13 1xdj h GLU 567 Cb 0.20 0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.59 1xdj h GLU 567 CO -0.19 -0.70 0.80 0.93 -1.00 0.00 0.00 179.01 178.84 1xdj h GLU 568 N -1.24 0.19 -0.00 2.33 5.08 -0.13 1.36 114.58 122.17 1xdj h GLU 568 Ca -0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1xdj h GLU 568 Cb 0.86 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1xdj h GLU 568 CO 0.19 0.13 -0.01 0.00 -1.00 0.00 0.00 179.01 178.31 1xdj n ALA 569 N -2.54 2.64 -0.19 3.43 0.00 0.39 -4.92 120.51 119.33 1xdj n ALA 569 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1xdj n ALA 569 Cb 1.21 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1xdj n ALA 569 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xdj n GLY 570 N 1.11 0.79 3.68 0.00 0.00 0.47 -5.04 105.19 106.20 1xdj n GLY 570 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1xdj n GLY 570 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xdj s ILE 571 N -2.14 4.36 -0.03 -0.61 1.09 0.02 -4.94 121.20 118.96 1xdj s ILE 571 Ca 0.00 1.67 0.12 0.00 -1.10 0.00 0.00 60.65 61.34 1xdj s ILE 571 Cb 0.00 -4.07 -0.13 0.00 -1.06 0.00 0.00 42.46 37.19 1xdj s ILE 571 CO 0.00 -0.05 1.11 0.07 -0.10 0.00 0.00 174.94 175.97 1xdj h LYS 572 N 7.60 0.00 -5.29 2.79 -0.00 -1.87 -3.39 116.57 116.40 1xdj h LYS 572 Ca -0.31 0.00 -0.63 0.00 -0.00 0.00 0.00 60.65 59.71 1xdj h LYS 572 Cb 1.14 0.00 -0.33 0.00 -0.00 0.00 0.00 32.23 33.04 1xdj h LYS 572 CO 0.91 0.64 -0.86 0.42 -0.00 0.00 0.00 179.45 180.55 1xdj s ILE 573 N -2.79 1.79 -0.08 0.07 1.01 -1.26 -1.70 121.20 118.23 1xdj s ILE 573 Ca -0.00 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1xdj s ILE 573 Cb 0.09 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 41.03 1xdj s ILE 573 CO 0.80 0.50 -0.10 -0.69 0.00 0.00 0.00 174.94 175.45 1xdj s VAL 574 N 0.28 1.09 -0.15 2.92 1.01 -0.88 0.08 120.40 124.75 1xdj s VAL 574 Ca -0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1xdj s VAL 574 Cb -0.16 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1xdj s VAL 574 CO 0.06 0.36 -0.04 -1.58 0.00 0.00 0.00 175.10 173.90 1xdj s GLN 575 N 1.02 3.65 -0.31 2.72 0.74 0.47 -0.87 119.66 127.08 1xdj s GLN 575 Ca -0.08 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 54.78 1xdj s GLN 575 Cb -0.15 -2.91 0.05 0.00 1.10 0.00 0.00 33.01 31.10 1xdj s GLN 575 CO -0.01 0.26 0.04 0.42 -0.55 0.00 0.00 175.29 175.45 1xdj s ILE 576 N 0.31 3.28 -0.22 -2.34 -1.09 -0.28 0.37 121.20 121.22 1xdj s ILE 576 Ca -0.03 -1.28 -0.29 0.00 -2.23 0.00 0.00 60.65 56.82 1xdj s ILE 576 Cb -0.14 -2.87 0.01 0.00 -1.58 0.00 0.00 42.46 37.88 1xdj s ILE 576 CO 0.03 -0.13 1.08 -1.81 -1.23 0.00 0.00 174.94 172.88 1xdj s ASP 577 N 1.31 7.07 -0.45 3.58 1.01 0.94 -3.05 116.67 127.07 1xdj s ASP 577 Ca -0.04 1.41 0.09 0.00 0.71 0.00 0.00 52.55 54.73 1xdj s ASP 577 Cb -0.20 -2.54 0.35 0.00 1.01 0.00 0.00 42.92 41.55 1xdj s ASP 577 CO 0.00 -0.69 0.83 1.21 0.21 0.00 0.00 175.17 176.73 1xdj n GLU 578 N 6.39 1.95 0.11 8.23 4.07 -0.88 0.35 120.64 140.86 1xdj n GLU 578 Ca 0.12 -4.00 0.10 0.00 -0.06 0.00 0.00 57.16 53.32 1xdj n GLU 578 Cb 0.46 -1.92 0.46 0.00 -0.06 0.00 0.00 31.44 30.37 1xdj n GLU 578 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1xdj n PRO 579 N 0.04 0.15 -0.00 5.31 -0.04 -1.25 -2.40 135.00 136.80 1xdj n PRO 579 Ca 0.27 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.30 1xdj n PRO 579 Cb 0.56 -1.81 0.42 0.00 -0.04 0.00 0.00 33.50 32.62 1xdj n PRO 579 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xdj n ALA 580 N -1.72 2.54 -0.26 0.55 0.00 -1.26 -4.18 120.51 116.19 1xdj n ALA 580 Ca 0.02 -0.51 0.01 0.00 0.00 0.00 0.00 53.44 52.96 1xdj n ALA 580 Cb 0.18 -1.08 0.09 0.00 0.00 0.00 0.00 19.45 18.65 1xdj n ALA 580 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xdj h PHE 581 N 2.92 -0.37 0.11 0.00 3.57 -1.85 0.14 116.94 121.46 1xdj h PHE 581 Ca 0.00 0.07 -0.36 0.00 3.53 0.00 0.00 57.97 61.21 1xdj h PHE 581 Cb 0.62 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1xdj h PHE 581 CO 0.01 -0.31 -1.98 -2.13 -2.23 0.00 0.00 178.31 171.66 1xdj n ARG 582 N -5.48 0.74 -0.07 1.11 3.00 -1.26 -4.21 116.66 110.49 1xdj n ARG 582 Ca 0.10 0.28 0.09 0.00 -0.00 0.00 0.00 57.85 58.32 1xdj n ARG 582 Cb 0.38 -1.70 0.47 0.00 0.00 0.00 0.00 32.46 31.61 1xdj n ARG 582 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1xdj h GLU 583 N -0.01 0.47 0.00 -0.14 5.08 -1.62 -0.13 114.58 118.23 1xdj h GLU 583 Ca -0.43 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1xdj h GLU 583 Cb 1.98 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 1xdj h GLU 583 CO 0.06 0.31 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.05 1xdj h LYS 584 N 0.48 0.00 -6.49 2.33 1.63 -0.93 -3.46 116.57 110.13 1xdj h LYS 584 Ca 0.25 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.44 1xdj h LYS 584 Cb 0.35 0.00 0.12 0.00 -0.60 0.00 0.00 32.23 32.10 1xdj h LYS 584 CO -0.07 0.11 0.07 0.00 -3.45 0.00 0.00 179.45 176.11 1xdj n ALA 585 N -2.14 -0.32 -1.35 5.00 0.00 -0.06 -4.91 120.51 116.74 1xdj n ALA 585 Ca 0.02 0.34 -0.37 0.00 0.00 0.00 0.00 53.44 53.43 1xdj n ALA 585 Cb 0.46 -2.00 0.06 0.00 0.00 0.00 0.00 19.45 17.97 1xdj n ALA 585 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xdj n PRO 586 N 0.59 0.42 -0.25 0.00 -0.02 -1.26 -4.91 135.00 129.58 1xdj n PRO 586 Ca 0.10 0.18 -0.07 0.00 -2.02 0.00 0.00 63.50 61.69 1xdj n PRO 586 Cb 0.34 -1.86 0.06 0.00 -0.02 0.00 0.00 33.50 32.02 1xdj n PRO 586 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1xdj h ILE 587 N -0.14 1.26 -3.40 4.25 2.04 -1.90 -3.39 117.51 116.22 1xdj h ILE 587 Ca -0.46 -0.96 -0.58 0.00 1.00 0.00 0.00 64.86 63.86 1xdj h ILE 587 Cb 1.36 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 1xdj h ILE 587 CO 0.45 0.37 0.79 -0.54 0.00 0.00 0.00 178.15 179.22 1xdj s LYS 588 N -5.31 3.98 0.61 2.37 1.02 -1.26 -4.73 119.74 116.41 1xdj s LYS 588 Ca -0.12 0.90 0.32 0.00 0.02 0.00 0.00 55.97 57.09 1xdj s LYS 588 Cb 0.15 -3.77 1.89 0.00 -0.52 0.00 0.00 37.83 35.58 1xdj s LYS 588 CO 0.84 -0.96 2.23 0.87 -0.92 0.00 0.00 175.35 177.42 1xdj h LYS 589 N 8.30 0.00 0.00 1.68 1.57 -1.97 0.58 116.57 126.72 1xdj h LYS 589 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1xdj h LYS 589 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1xdj h LYS 589 CO 1.03 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.57 1xdj h SER 590 N 0.00 0.00 -0.49 0.86 4.64 -1.94 -1.88 113.55 114.74 1xdj h SER 590 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1xdj h SER 590 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1xdj h SER 590 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1xdj n LYS 591 N -2.79 2.41 -0.17 4.77 5.02 0.19 -4.50 118.16 123.09 1xdj n LYS 591 Ca 0.00 -2.16 -0.10 0.00 -2.02 0.00 0.00 58.31 54.03 1xdj n LYS 591 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1xdj n LYS 591 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1xdj h TRP 592 N 3.85 0.94 -0.34 2.13 4.06 -1.37 -3.22 115.95 122.00 1xdj h TRP 592 Ca 0.00 -0.16 0.04 0.00 2.06 0.00 0.00 58.89 60.82 1xdj h TRP 592 Cb 0.86 -0.25 -0.06 0.00 -1.00 0.00 0.00 29.16 28.72 1xdj h TRP 592 CO 0.32 0.89 -0.38 -1.35 -3.56 0.00 0.00 178.44 174.36 1xdj h PRO 593 N 0.72 -0.22 -0.41 0.49 0.11 -1.79 0.20 132.00 131.10 1xdj h PRO 593 Ca 0.14 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.35 1xdj h PRO 593 Cb 0.51 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.59 1xdj h PRO 593 CO 0.03 -0.15 -0.18 0.93 -0.21 0.00 0.00 178.00 178.42 1xdj h GLU 594 N -0.23 -0.10 0.30 1.05 3.07 -1.91 -2.34 114.58 114.42 1xdj h GLU 594 Ca 0.06 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1xdj h GLU 594 Cb 0.38 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1xdj h GLU 594 CO -0.44 -0.06 -0.40 -0.92 -1.40 0.00 0.00 179.01 175.78 1xdj h TYR 595 N -0.10 -1.11 -0.15 4.33 3.20 -1.37 -2.68 116.97 119.10 1xdj h TYR 595 Ca 0.20 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.11 1xdj h TYR 595 Cb 0.41 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1xdj h TYR 595 CO -0.43 -0.54 0.10 0.74 -1.64 0.00 0.00 178.16 176.40 1xdj h PHE 596 N -0.75 0.07 -0.16 -3.82 -1.00 -0.78 -1.67 116.94 108.83 1xdj h PHE 596 Ca -0.01 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.82 1xdj h PHE 596 Cb 0.71 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 40.18 1xdj h PHE 596 CO -0.27 0.04 -0.35 0.93 -1.61 0.00 0.00 178.31 177.05 1xdj h GLU 597 N 0.07 -0.39 0.00 1.51 5.08 -1.06 0.30 114.58 120.09 1xdj h GLU 597 Ca 0.06 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1xdj h GLU 597 Cb 0.17 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1xdj h GLU 597 CO -0.01 -0.26 -0.34 0.11 -1.00 0.00 0.00 179.01 177.51 1xdj h TRP 598 N -0.41 0.00 -0.19 4.33 5.08 -1.50 -2.92 115.95 120.34 1xdj h TRP 598 Ca 0.10 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.91 1xdj h TRP 598 Cb 0.57 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.72 1xdj h TRP 598 CO -0.44 0.29 -0.53 0.00 -1.28 0.00 0.00 178.44 176.47 1xdj h ALA 599 N 1.71 0.72 -0.20 0.11 0.00 -0.65 -1.16 119.26 119.80 1xdj h ALA 599 Ca -0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1xdj h ALA 599 Cb 1.23 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xdj h ALA 599 CO 0.04 0.68 -0.14 0.82 0.00 0.00 0.00 179.25 180.65 1xdj h ILE 600 N 0.42 1.32 -0.82 0.00 2.04 -0.46 -2.42 117.51 117.59 1xdj h ILE 600 Ca 0.01 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1xdj h ILE 600 Cb 1.07 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 1xdj h ILE 600 CO 0.10 0.38 0.54 0.78 0.00 0.00 0.00 178.15 179.95 1xdj h ASN 601 N 0.12 0.94 -0.14 1.72 -0.26 -1.44 -0.93 115.58 115.59 1xdj h ASN 601 Ca 0.04 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1xdj h ASN 601 Cb 0.65 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 1xdj h ASN 601 CO 0.04 0.68 0.09 0.00 -1.06 0.00 0.00 177.43 177.18 1xdj h ALA 602 N 1.30 0.18 -0.21 -0.83 0.00 -1.17 0.20 119.26 118.73 1xdj h ALA 602 Ca 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xdj h ALA 602 Cb -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xdj h ALA 602 CO -0.07 -0.33 0.12 0.35 0.00 0.00 0.00 179.25 179.32 1xdj h PHE 603 N 0.18 0.30 -0.13 0.00 3.57 -1.08 -0.87 116.94 118.91 1xdj h PHE 603 Ca 0.05 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1xdj h PHE 603 Cb -0.00 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1xdj h PHE 603 CO -0.06 0.27 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.17 1xdj h ASN 604 N 0.24 0.21 -0.45 0.41 2.35 -1.02 0.37 115.58 117.68 1xdj h ASN 604 Ca 0.08 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1xdj h ASN 604 Cb 0.07 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1xdj h ASN 604 CO -0.01 0.43 -0.20 0.25 -1.65 0.00 0.00 177.43 176.25 1xdj h LEU 605 N 0.20 0.95 -0.39 1.61 5.85 -0.26 -1.52 115.31 121.76 1xdj h LEU 605 Ca 0.04 -0.40 -0.17 0.00 0.84 0.00 0.00 57.88 58.19 1xdj h LEU 605 Cb 0.48 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1xdj h LEU 605 CO 0.03 1.14 -0.43 0.00 -0.34 0.00 0.00 178.44 178.84 1xdj h ALA 606 N 0.85 0.57 -0.46 1.25 0.00 -0.70 -3.10 119.26 117.67 1xdj h ALA 606 Ca 0.10 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1xdj h ALA 606 Cb 0.77 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1xdj h ALA 606 CO 0.06 0.68 0.16 0.00 0.00 0.00 0.00 179.25 180.15 1xdj n ALA 607 N -2.55 3.78 -2.43 0.00 0.00 0.08 -3.87 120.51 115.52 1xdj n ALA 607 Ca -0.03 -1.43 -0.39 0.00 0.00 0.00 0.00 53.44 51.59 1xdj n ALA 607 Cb 0.57 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 1xdj n ALA 607 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1xdj s ASN 608 N -0.46 6.31 0.38 0.00 2.47 -0.58 -4.91 114.94 118.15 1xdj s ASN 608 Ca 0.35 -2.16 0.07 0.00 0.42 0.00 0.00 52.86 51.54 1xdj s ASN 608 Cb 0.28 -2.58 -0.01 0.00 -1.45 0.00 0.00 41.25 37.48 1xdj s ASN 608 CO 0.09 -1.72 0.41 0.00 -3.72 0.00 0.00 177.10 172.15 1xdj s ALA 609 N 6.17 4.12 0.71 1.71 0.00 -1.26 -4.96 121.76 128.25 1xdj s ALA 609 Ca 0.58 -1.69 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 1xdj s ALA 609 Cb 0.02 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.86 1xdj s ALA 609 CO 0.08 -0.13 1.13 1.03 0.00 0.00 0.00 175.76 177.87 1xdj s ARG 610 N -4.14 2.48 0.25 0.00 1.81 -1.26 -4.69 118.95 113.40 1xdj s ARG 610 Ca 0.47 1.43 -0.04 0.00 -1.72 0.00 0.00 55.73 55.87 1xdj s ARG 610 Cb -0.07 -1.91 0.50 0.00 -0.45 0.00 0.00 34.95 33.03 1xdj s ARG 610 CO 0.29 -1.51 1.68 -1.35 -0.68 0.00 0.00 175.30 173.73 1xdj h PRO 611 N -0.34 0.25 0.00 3.54 0.11 -1.97 -1.45 132.00 132.14 1xdj h PRO 611 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xdj h PRO 611 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xdj h PRO 611 CO 0.52 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.63 1xdj n GLU 612 N -5.17 0.61 -3.27 1.05 -0.00 -1.26 -4.61 120.64 107.98 1xdj n GLU 612 Ca 0.15 0.02 -0.43 0.00 -0.00 0.00 0.00 57.16 56.90 1xdj n GLU 612 Cb 0.49 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 30.35 1xdj n GLU 612 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1xdj s THR 613 N -2.12 5.03 -0.54 3.84 2.01 -0.55 -4.70 115.64 118.61 1xdj s THR 613 Ca 0.31 -0.19 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 1xdj s THR 613 Cb 0.15 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.62 1xdj s THR 613 CO 0.27 -0.43 1.38 -1.58 -0.69 0.00 0.00 174.62 173.58 1xdj s GLN 614 N 2.29 3.38 -0.08 4.92 0.74 -0.69 -4.79 119.66 125.43 1xdj s GLN 614 Ca 0.15 0.51 -0.23 0.00 0.05 0.00 0.00 55.36 55.84 1xdj s GLN 614 Cb -0.16 -4.09 -0.04 0.00 1.10 0.00 0.00 33.01 29.82 1xdj s GLN 614 CO 0.15 -1.84 0.67 0.42 -0.55 0.00 0.00 175.29 174.14 1xdj s ILE 615 N 5.81 5.06 -0.10 -2.34 -1.09 -1.26 -2.06 121.20 125.21 1xdj s ILE 615 Ca 0.53 1.38 -0.01 0.00 -2.23 0.00 0.00 60.65 60.33 1xdj s ILE 615 Cb -0.11 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1xdj s ILE 615 CO 0.26 0.25 -0.08 -1.00 -1.23 0.00 0.00 174.94 173.15 1xdj s HIS 616 N 0.84 2.93 -0.14 3.97 3.76 -0.05 -0.07 115.29 126.52 1xdj s HIS 616 Ca 0.36 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 1xdj s HIS 616 Cb -0.17 -1.80 -0.01 0.00 1.11 0.00 0.00 32.58 31.70 1xdj s HIS 616 CO 0.17 0.11 -0.14 0.00 -0.85 0.00 0.00 174.74 174.03 1xdj s ALA 617 N -0.24 2.55 0.39 -1.40 0.00 0.05 -1.13 121.76 121.97 1xdj s ALA 617 Ca 0.03 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.11 1xdj s ALA 617 Cb -0.13 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 1xdj s ALA 617 CO 0.03 0.13 0.14 -1.58 0.00 0.00 0.00 175.76 174.48 1xdj s HIS 618 N 0.55 2.61 0.00 0.00 5.04 -1.17 -0.81 115.29 121.50 1xdj s HIS 618 Ca -0.09 -0.54 0.00 0.00 -1.54 0.00 0.00 55.06 52.89 1xdj s HIS 618 Cb -0.16 -1.85 0.00 0.00 0.04 0.00 0.00 32.58 30.61 1xdj s HIS 618 CO 0.04 0.26 0.00 0.00 -2.34 0.00 0.00 174.74 172.69 1xdj n TYR 621 N 0.00 2.20 0.34 0.00 4.02 -1.26 -4.83 117.16 117.62 1xdj n TYR 621 Ca 0.00 0.55 0.13 0.00 -0.01 0.00 0.00 57.90 58.57 1xdj n TYR 621 Cb 0.25 -2.40 0.32 0.00 -0.02 0.00 0.00 39.34 37.49 1xdj n TYR 621 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1xdj h SER 622 N 2.42 0.00 -3.83 7.72 4.64 -2.03 -3.42 113.55 119.05 1xdj h SER 622 Ca -0.46 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.70 1xdj h SER 622 Cb 1.29 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.13 1xdj h SER 622 CO 0.62 0.00 -0.38 -0.62 -0.87 0.00 0.00 176.83 175.58 1xdj s ASP 623 N -5.62 -0.30 0.00 4.97 2.15 -1.26 -4.89 116.67 111.72 1xdj s ASP 623 Ca 0.07 0.59 0.06 0.00 0.43 0.00 0.00 52.55 53.69 1xdj s ASP 623 Cb 0.08 0.59 0.03 0.00 -0.30 0.00 0.00 42.92 43.32 1xdj s ASP 623 CO 0.62 -0.10 0.63 0.49 -0.17 0.00 0.00 175.17 176.63 1xdj n PHE 624 N 2.95 0.00 -0.15 -5.34 3.01 -1.26 -4.75 117.46 111.92 1xdj n PHE 624 Ca -0.13 0.00 0.26 0.00 1.01 0.00 0.00 57.45 58.59 1xdj n PHE 624 Cb 0.58 0.00 0.70 0.00 -0.01 0.00 0.00 39.48 40.75 1xdj n PHE 624 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1xdj h ASN 625 N 0.99 0.04 -0.08 4.37 2.35 -1.94 -1.83 115.58 119.48 1xdj h ASN 625 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xdj h ASN 625 Cb 0.22 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1xdj h ASN 625 CO 0.00 0.02 0.00 -0.62 -1.65 0.00 0.00 177.43 175.18 1xdj n GLU 626 N -4.31 2.27 0.00 0.81 1.02 -1.26 -4.44 120.64 114.73 1xdj n GLU 626 Ca 0.17 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 1xdj n GLU 626 Cb 0.87 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 1xdj n GLU 626 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xdj n ILE 627 N 1.23 0.00 -0.32 -3.67 -5.35 -0.92 -4.84 119.36 105.49 1xdj n ILE 627 Ca 0.15 -0.22 0.19 0.00 -0.27 0.00 0.00 62.75 62.60 1xdj n ILE 627 Cb 0.57 1.30 0.45 0.00 -1.74 0.00 0.00 39.64 40.21 1xdj n ILE 627 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 1xdj h ILE 628 N 0.30 0.60 0.00 7.28 -0.00 -1.56 0.83 117.51 124.96 1xdj h ILE 628 Ca 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 64.86 64.65 1xdj h ILE 628 Cb 0.15 0.05 -0.00 0.00 -0.00 0.00 0.00 36.82 37.01 1xdj h ILE 628 CO 0.00 0.09 -0.16 1.05 -0.00 0.00 0.00 178.15 179.13 1xdj h GLU 629 N 0.51 0.00 0.13 2.19 9.09 -1.88 -0.41 114.58 124.22 1xdj h GLU 629 Ca 0.57 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.65 1xdj h GLU 629 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.35 1xdj h GLU 629 CO -0.31 0.16 -1.67 1.88 0.05 0.00 0.00 179.01 179.12 1xdj h TYR 630 N 0.00 0.52 -0.42 2.06 -1.99 0.25 -3.35 116.97 114.03 1xdj h TYR 630 Ca -0.00 -0.38 -0.04 0.00 2.00 0.00 0.00 58.73 60.32 1xdj h TYR 630 Cb 0.42 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 1xdj h TYR 630 CO 0.00 1.50 0.12 0.82 -0.00 0.00 0.00 178.16 180.60 1xdj h ILE 631 N 0.08 1.22 -1.21 -2.88 5.03 -0.69 -2.51 117.51 116.55 1xdj h ILE 631 Ca -0.30 -0.74 0.35 0.00 -0.12 0.00 0.00 64.86 64.05 1xdj h ILE 631 Cb 2.05 0.91 -0.05 0.00 -3.03 0.00 0.00 36.82 36.70 1xdj h ILE 631 CO 0.15 0.26 0.87 -0.74 -0.68 0.00 0.00 178.15 178.01 1xdj h HIS 632 N 0.54 0.02 -0.00 1.37 2.76 -1.21 0.37 115.15 118.99 1xdj h HIS 632 Ca 0.13 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1xdj h HIS 632 Cb 0.28 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.23 1xdj h HIS 632 CO 0.01 0.00 -0.00 1.04 -1.30 0.00 0.00 177.93 177.68 1xdj n GLN 633 N -4.18 0.27 -2.93 5.26 6.02 -0.95 -4.81 117.38 116.06 1xdj n GLN 633 Ca 0.26 -0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.84 1xdj n GLN 633 Cb 1.26 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.98 1xdj n GLN 633 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xdj s LEU 634 N -2.73 4.33 -0.51 1.08 1.43 0.13 -4.95 118.68 117.46 1xdj s LEU 634 Ca 0.23 1.34 -0.07 0.00 -1.03 0.00 0.00 54.13 54.61 1xdj s LEU 634 Cb 0.20 -3.25 -0.20 0.00 0.03 0.00 0.00 46.19 42.97 1xdj s LEU 634 CO 0.49 -0.17 3.28 -0.62 0.23 0.00 0.00 176.35 179.55 1xdj n GLU 635 N 3.88 2.44 -2.74 1.70 1.02 -1.26 -4.89 120.64 120.79 1xdj n GLU 635 Ca 0.01 -1.34 -0.21 0.00 -0.02 0.00 0.00 57.16 55.61 1xdj n GLU 635 Cb 0.51 -2.24 0.06 0.00 -0.02 0.00 0.00 31.44 29.75 1xdj n GLU 635 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1xdj s PHE 636 N 1.50 2.28 -0.10 -0.32 -0.71 -1.26 -4.91 117.98 114.45 1xdj s PHE 636 Ca 0.65 -0.25 0.09 0.00 -1.04 0.00 0.00 56.93 56.38 1xdj s PHE 636 Cb 0.26 -2.68 -0.13 0.00 -1.21 0.00 0.00 43.02 39.26 1xdj s PHE 636 CO -0.02 -1.08 0.04 -0.25 -1.34 0.00 0.00 175.22 172.56 1xdj n ASP 637 N -2.39 2.50 -3.89 1.98 8.00 0.90 -4.96 116.55 118.69 1xdj n ASP 637 Ca 0.11 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.50 1xdj n ASP 637 Cb 0.60 0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 42.35 1xdj n ASP 637 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1xdj s VAL 638 N -2.25 0.09 -0.09 2.53 -7.23 -0.84 -2.53 120.40 110.08 1xdj s VAL 638 Ca -0.05 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1xdj s VAL 638 Cb 0.03 -0.39 0.02 0.00 0.56 0.00 0.00 36.38 36.60 1xdj s VAL 638 CO 0.42 -0.39 -0.07 -0.51 -0.31 0.00 0.00 175.10 174.23 1xdj s ILE 639 N -1.35 0.90 0.05 -0.62 2.07 -0.39 -0.77 121.20 121.08 1xdj s ILE 639 Ca -0.14 -0.25 -0.16 0.00 -1.41 0.00 0.00 60.65 58.69 1xdj s ILE 639 Cb -0.08 -0.91 -0.06 0.00 0.13 0.00 0.00 42.46 41.54 1xdj s ILE 639 CO 0.01 0.33 0.47 -0.94 -1.91 0.00 0.00 174.94 172.90 1xdj s SER 640 N 1.40 6.87 0.06 4.50 1.04 0.01 0.21 113.70 127.78 1xdj s SER 640 Ca -0.02 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1xdj s SER 640 Cb -0.13 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 1xdj s SER 640 CO -0.04 0.27 -0.05 0.27 0.98 0.00 0.00 173.24 174.67 1xdj s ILE 641 N -1.17 0.40 -0.74 -1.02 -4.36 0.10 -4.59 121.20 109.82 1xdj s ILE 641 Ca 0.28 -1.62 -0.20 0.00 -0.26 0.00 0.00 60.65 58.85 1xdj s ILE 641 Cb -0.17 -1.27 0.11 0.00 1.25 0.00 0.00 42.46 42.38 1xdj s ILE 641 CO 0.16 -0.81 0.94 -1.61 0.24 0.00 0.00 174.94 173.86 1xdj s GLU 642 N -3.23 3.27 0.00 0.37 2.02 -1.26 0.33 118.70 120.21 1xdj s GLU 642 Ca 0.03 -1.34 0.19 0.00 0.02 0.00 0.00 54.97 53.87 1xdj s GLU 642 Cb 0.02 -4.47 0.20 0.00 0.10 0.00 0.00 34.13 29.98 1xdj s GLU 642 CO -0.06 -1.70 1.15 0.00 0.02 0.00 0.00 175.26 174.66 1xdj n ALA 643 N 6.79 2.45 -0.10 5.21 0.00 -0.98 -4.64 120.51 129.24 1xdj n ALA 643 Ca 0.04 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.64 1xdj n ALA 643 Cb 0.46 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 1xdj n ALA 643 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xdj h SER 644 N 3.72 0.59 -0.56 0.00 4.64 -1.82 0.61 113.55 120.72 1xdj h SER 644 Ca 0.00 -0.40 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1xdj h SER 644 Cb 0.81 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1xdj h SER 644 CO 0.00 0.85 0.34 0.03 -0.87 0.00 0.00 176.83 177.19 1xdj h ARG 645 N 0.32 0.78 -0.02 4.77 3.08 -1.92 -0.85 114.38 120.55 1xdj h ARG 645 Ca 0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xdj h ARG 645 Cb 0.62 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1xdj h ARG 645 CO 0.04 0.55 -0.05 -1.13 -1.07 0.00 0.00 179.97 178.31 1xdj n SER 646 N -4.42 1.75 -3.80 7.04 3.41 -1.22 -4.94 113.62 111.45 1xdj n SER 646 Ca 0.05 -1.52 -0.28 0.00 -0.26 0.00 0.00 58.87 56.86 1xdj n SER 646 Cb 0.07 0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1xdj n SER 646 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xdj n LYS 647 N 0.30 -6.25 0.00 4.33 5.02 -0.33 -1.93 118.16 119.30 1xdj n LYS 647 Ca 0.17 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1xdj n LYS 647 Cb 0.41 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.80 1xdj n LYS 647 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xdj n GLY 648 N -1.78 3.26 0.30 0.72 0.00 0.11 -4.39 105.19 103.41 1xdj n GLY 648 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.22 1xdj n GLY 648 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xdj h GLU 649 N 1.99 0.00 0.00 1.61 4.57 -1.65 -0.22 114.58 120.88 1xdj h GLU 649 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xdj h GLU 649 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1xdj h GLU 649 CO 0.00 0.00 0.00 0.97 -1.18 0.00 0.00 179.01 178.80 1xdj h ILE 650 N 0.00 0.00 0.00 2.32 2.10 -1.88 -2.06 117.51 118.00 1xdj h ILE 650 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1xdj h ILE 650 Cb 0.32 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1xdj h ILE 650 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1xdj n ILE 651 N -2.77 0.80 -0.28 2.19 0.13 -0.09 -3.77 119.36 115.57 1xdj n ILE 651 Ca -0.01 0.16 0.13 0.00 -1.10 0.00 0.00 62.75 61.93 1xdj n ILE 651 Cb 0.12 -1.04 0.39 0.00 -0.84 0.00 0.00 39.64 38.27 1xdj n ILE 651 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1xdj h SER 652 N 0.00 0.65 0.29 9.51 4.64 -1.59 0.11 113.55 127.15 1xdj h SER 652 Ca 0.00 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1xdj h SER 652 Cb 0.40 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1xdj h SER 652 CO 0.00 0.30 -0.24 0.00 -0.87 0.00 0.00 176.83 176.02 1xdj h ALA 653 N 1.60 1.50 0.12 5.18 0.00 -1.84 -1.93 119.26 123.91 1xdj h ALA 653 Ca 0.48 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1xdj h ALA 653 Cb 0.82 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1xdj h ALA 653 CO -0.23 0.30 -0.72 0.74 0.00 0.00 0.00 179.25 179.34 1xdj h PHE 654 N 0.00 0.48 0.00 0.00 0.04 -1.07 -3.09 116.94 113.30 1xdj h PHE 654 Ca -0.00 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.42 1xdj h PHE 654 Cb 0.45 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.59 1xdj h PHE 654 CO 0.00 1.28 0.00 1.05 -0.60 0.00 0.00 178.31 180.04 1xdj h GLU 655 N -0.45 0.00 -0.01 1.51 4.11 -1.23 -2.40 114.58 116.11 1xdj h GLU 655 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1xdj h GLU 655 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1xdj h GLU 655 CO 0.13 0.00 -0.42 0.09 0.07 0.00 0.00 179.01 178.88 1xdj n ASN 656 N -2.44 1.49 -4.59 3.06 3.02 -0.73 -4.84 115.26 110.23 1xdj n ASN 656 Ca 0.02 -1.18 -0.42 0.00 -0.03 0.00 0.00 54.58 52.97 1xdj n ASN 656 Cb 0.27 0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 39.76 1xdj n ASN 656 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xdj s PHE 657 N -2.54 3.08 0.02 3.10 2.19 -0.91 -4.99 117.98 117.93 1xdj s PHE 657 Ca 0.20 0.63 -0.30 0.00 0.33 0.00 0.00 56.93 57.79 1xdj s PHE 657 Cb 0.18 -3.56 -0.08 0.00 -1.31 0.00 0.00 43.02 38.25 1xdj s PHE 657 CO 0.58 -0.81 1.91 -1.59 1.83 0.00 0.00 175.22 177.13 1xdj s LYS 658 N 3.32 4.15 0.00 10.12 0.00 -1.26 -2.52 119.74 133.55 1xdj s LYS 658 Ca 0.35 2.53 0.00 0.00 0.00 0.00 0.00 55.97 58.85 1xdj s LYS 658 Cb -0.12 -4.13 0.00 0.00 0.00 0.00 0.00 37.83 33.58 1xdj s LYS 658 CO 0.19 -0.94 0.00 0.41 0.00 0.00 0.00 175.35 175.01 1xdj n GLY 659 N 4.47 0.65 3.71 0.59 0.00 -1.26 -5.03 105.19 108.31 1xdj n GLY 659 Ca 0.19 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1xdj n GLY 659 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xdj s TRP 660 N -2.00 3.04 0.00 1.61 -0.11 -1.05 -4.87 118.94 115.57 1xdj s TRP 660 Ca 0.00 0.80 0.00 0.00 1.22 0.00 0.00 56.10 58.12 1xdj s TRP 660 Cb 0.00 -3.75 0.00 0.00 -1.50 0.00 0.00 33.47 28.22 1xdj s TRP 660 CO 0.00 -2.73 0.21 0.44 -4.62 0.00 0.00 176.95 170.24 1xdj n ILE 661 N 4.18 0.04 -2.70 5.86 -5.35 -1.26 -5.05 119.36 115.07 1xdj n ILE 661 Ca 0.13 -0.16 -0.28 0.00 -0.27 0.00 0.00 62.75 62.16 1xdj n ILE 661 Cb 0.42 1.61 -0.01 0.00 -1.74 0.00 0.00 39.64 39.91 1xdj n ILE 661 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1xdj s LYS 662 N -0.04 3.62 0.57 6.28 1.02 -1.26 -5.02 119.74 124.91 1xdj s LYS 662 Ca 0.00 0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.12 1xdj s LYS 662 Cb 0.00 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 1xdj s LYS 662 CO 0.00 -0.15 1.07 -0.65 -0.92 0.00 0.00 175.35 174.70 1xdj s GLN 663 N -4.42 3.36 -0.07 1.68 -0.21 -1.05 -4.93 119.66 114.02 1xdj s GLN 663 Ca 0.49 1.33 -0.00 0.00 0.02 0.00 0.00 55.36 57.19 1xdj s GLN 663 Cb -0.10 -2.03 0.03 0.00 1.00 0.00 0.00 33.01 31.90 1xdj s GLN 663 CO 0.40 -0.79 -0.03 0.42 -2.12 0.00 0.00 175.29 173.17 1xdj s ILE 664 N -2.22 0.59 -0.77 1.08 1.01 0.50 -1.26 121.20 120.14 1xdj s ILE 664 Ca 0.66 -0.05 -0.24 0.00 0.00 0.00 0.00 60.65 61.02 1xdj s ILE 664 Cb -0.18 -0.68 0.06 0.00 0.01 0.00 0.00 42.46 41.68 1xdj s ILE 664 CO 0.32 0.28 1.16 -0.83 0.00 0.00 0.00 174.94 175.87 1xdj s GLY 665 N 1.61 1.25 -0.37 6.18 0.00 0.13 -1.67 107.32 114.45 1xdj s GLY 665 Ca 0.00 -1.84 -0.29 0.00 0.00 0.00 0.00 44.72 42.59 1xdj s GLY 665 CO -0.04 2.35 1.47 0.14 0.00 0.00 0.00 173.10 177.01 1xdj s VAL 666 N 4.61 3.86 -0.03 1.40 1.01 -0.63 0.01 120.40 130.63 1xdj s VAL 666 Ca 0.31 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 1xdj s VAL 666 Cb -0.10 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1xdj s VAL 666 CO 0.07 -0.64 1.30 -0.83 0.00 0.00 0.00 175.10 175.00 1xdj s GLY 667 N 4.12 1.97 -0.07 4.51 0.00 0.15 -2.18 107.32 115.83 1xdj s GLY 667 Ca 0.64 0.76 0.10 0.00 0.00 0.00 0.00 44.72 46.22 1xdj s GLY 667 CO 0.31 2.37 1.07 3.33 0.00 0.00 0.00 173.10 180.18 1xdj n VAL 668 N 4.64 1.42 -3.69 1.40 0.24 0.28 -2.31 118.33 120.31 1xdj n VAL 668 Ca 0.12 -1.61 -0.10 0.00 -2.04 0.00 0.00 64.34 60.70 1xdj n VAL 668 Cb 0.45 0.12 -0.11 0.00 -1.47 0.00 0.00 33.84 32.83 1xdj n VAL 668 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1xdj s TRP 669 N -1.93 -0.60 -0.90 6.34 -0.00 -1.26 -4.83 118.94 115.76 1xdj s TRP 669 Ca 0.17 1.25 -0.24 0.00 -0.00 0.00 0.00 56.10 57.28 1xdj s TRP 669 Cb 0.15 0.21 0.05 0.00 -0.00 0.00 0.00 33.47 33.88 1xdj s TRP 669 CO 0.02 -0.37 1.35 0.34 -0.00 0.00 0.00 176.95 178.28 1xdj s ASP 670 N 1.83 6.38 0.00 5.86 2.15 -1.26 -0.87 116.67 130.76 1xdj s ASP 670 Ca -0.06 -1.12 0.09 0.00 0.43 0.00 0.00 52.55 51.89 1xdj s ASP 670 Cb -0.10 -2.55 0.54 0.00 -0.30 0.00 0.00 42.92 40.52 1xdj s ASP 670 CO -0.12 -1.59 0.98 2.30 -0.17 0.00 0.00 175.17 176.57 1xdj n ILE 671 N 6.58 0.00 1.06 4.11 -6.64 -1.26 -2.16 119.36 121.04 1xdj n ILE 671 Ca 0.20 0.00 0.11 0.00 -1.77 0.00 0.00 62.75 61.30 1xdj n ILE 671 Cb 0.50 -0.59 0.10 0.00 -1.44 0.00 0.00 39.64 38.21 1xdj n ILE 671 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1xdj n HIS 672 N -0.81 0.00 -4.93 4.28 8.25 -1.26 -4.69 115.22 116.05 1xdj n HIS 672 Ca 0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 1xdj n HIS 672 Cb 0.03 -0.07 -0.15 0.00 1.12 0.00 0.00 29.99 30.92 1xdj n HIS 672 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xdj s SER 673 N -2.72 3.74 0.00 0.41 0.15 -0.92 -5.01 113.70 109.35 1xdj s SER 673 Ca 0.16 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.51 1xdj s SER 673 Cb 0.18 -1.36 0.45 0.00 -1.71 0.00 0.00 66.02 63.58 1xdj s SER 673 CO 0.67 0.20 0.94 -0.81 1.20 0.00 0.00 173.24 175.44 1xdj n PRO 674 N 3.25 0.56 -1.85 5.44 -0.04 -1.26 -4.84 135.00 136.26 1xdj n PRO 674 Ca -0.18 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.96 1xdj n PRO 674 Cb 0.53 -1.21 0.03 0.00 -0.04 0.00 0.00 33.50 32.80 1xdj n PRO 674 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xdj s ALA 675 N -2.00 2.70 -0.41 0.55 0.00 -1.26 -4.85 121.76 116.49 1xdj s ALA 675 Ca 0.11 0.29 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 1xdj s ALA 675 Cb 0.05 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.99 1xdj s ALA 675 CO 0.09 -0.99 0.28 0.08 0.00 0.00 0.00 175.76 175.21 1xdj s VAL 676 N -2.67 4.93 0.07 0.00 1.01 -1.26 -4.99 120.40 117.49 1xdj s VAL 676 Ca 0.62 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 1xdj s VAL 676 Cb -0.15 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 1xdj s VAL 676 CO 0.44 -0.33 1.93 -2.84 0.00 0.00 0.00 175.10 174.29 1xdj s PRO 677 N 1.61 4.14 0.81 2.72 0.02 -1.26 -4.96 135.00 138.08 1xdj s PRO 677 Ca 0.04 2.61 -0.11 0.00 0.02 0.00 0.00 61.00 63.56 1xdj s PRO 677 Cb -0.20 -3.98 0.08 0.00 0.02 0.00 0.00 34.50 30.42 1xdj s PRO 677 CO 0.08 -0.92 1.09 -1.54 -0.33 0.00 0.00 177.00 175.38 1xdj s SER 678 N 3.89 4.14 0.14 2.53 1.04 -1.26 -4.92 113.70 119.26 1xdj s SER 678 Ca 0.86 1.77 -0.16 0.00 0.48 0.00 0.00 55.95 58.90 1xdj s SER 678 Cb -0.44 -2.44 -0.00 0.00 0.10 0.00 0.00 66.02 63.24 1xdj s SER 678 CO 0.40 -2.26 1.73 0.40 0.98 0.00 0.00 173.24 174.49 1xdj h ILE 679 N -1.29 1.16 -0.93 -1.02 2.04 -1.93 -1.90 117.51 113.64 1xdj h ILE 679 Ca -0.45 -0.44 0.14 0.00 1.00 0.00 0.00 64.86 65.10 1xdj h ILE 679 Cb 1.25 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 1xdj h ILE 679 CO 0.51 0.17 0.60 0.78 0.00 0.00 0.00 178.15 180.21 1xdj h ASN 680 N 0.50 0.76 0.00 1.72 2.35 -1.99 -0.14 115.58 118.78 1xdj h ASN 680 Ca 0.14 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1xdj h ASN 680 Cb 0.09 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1xdj h ASN 680 CO -0.02 0.39 0.00 1.21 -1.65 0.00 0.00 177.43 177.36 1xdj n GLU 681 N -4.59 0.17 0.00 0.81 2.13 -0.72 -2.37 120.64 116.08 1xdj n GLU 681 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1xdj n GLU 681 Cb 0.43 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 31.07 1xdj n GLU 681 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1xdj n ARG 683 N 0.17 0.00 -0.29 5.31 0.63 -0.07 -3.77 116.66 118.64 1xdj n ARG 683 Ca 0.00 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.02 1xdj n ARG 683 Cb 0.03 0.00 0.21 0.00 0.45 0.00 0.00 32.46 33.15 1xdj n ARG 683 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1xdj h GLU 684 N 0.00 0.08 0.28 -0.14 4.39 -1.73 0.46 114.58 117.92 1xdj h GLU 684 Ca 0.00 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1xdj h GLU 684 Cb 0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1xdj h GLU 684 CO 0.00 0.05 -0.13 0.82 -1.16 0.00 0.00 179.01 178.59 1xdj h ILE 685 N 0.08 0.76 -0.40 3.13 2.04 -1.77 -1.43 117.51 119.93 1xdj h ILE 685 Ca 0.49 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1xdj h ILE 685 Cb 0.92 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1xdj h ILE 685 CO -0.76 0.09 0.13 0.58 0.00 0.00 0.00 178.15 178.19 1xdj h VAL 686 N -0.62 0.87 -0.98 1.67 2.07 -1.52 -0.76 116.25 116.98 1xdj h VAL 686 Ca -0.04 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.48 1xdj h VAL 686 Cb 0.44 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 1xdj h VAL 686 CO 0.06 0.05 0.61 -0.33 0.02 0.00 0.00 177.57 177.99 1xdj h GLU 687 N 0.29 0.99 -0.46 1.57 5.08 -0.10 -1.23 114.58 120.72 1xdj h GLU 687 Ca 0.19 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1xdj h GLU 687 Cb 0.18 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1xdj h GLU 687 CO -0.20 0.66 0.24 -0.09 -1.00 0.00 0.00 179.01 178.62 1xdj h ARG 688 N 1.02 0.66 0.00 2.33 9.65 -0.04 -2.40 114.38 125.59 1xdj h ARG 688 Ca 0.46 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 59.22 1xdj h ARG 688 Cb 0.37 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1xdj h ARG 688 CO -0.23 0.53 -0.16 0.28 2.80 0.00 0.00 179.97 183.20 1xdj h VAL 689 N 0.61 0.61 -0.22 0.20 2.07 -0.19 -2.40 116.25 116.93 1xdj h VAL 689 Ca 0.16 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1xdj h VAL 689 Cb 0.08 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1xdj h VAL 689 CO -0.02 0.15 0.00 0.18 0.02 0.00 0.00 177.57 177.90 1xdj n LEU 690 N -3.63 1.29 -0.01 2.57 4.77 -0.57 -3.88 117.00 117.54 1xdj n LEU 690 Ca -0.01 -0.63 -0.12 0.00 -0.03 0.00 0.00 56.01 55.22 1xdj n LEU 690 Cb 0.28 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1xdj n LEU 690 CO 0.31 0.31 0.79 -0.09 -1.33 0.00 0.00 177.39 177.39 1xdj h ARG 691 N 1.46 0.11 0.00 3.23 2.43 -1.38 -3.42 114.38 116.82 1xdj h ARG 691 Ca 0.00 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1xdj h ARG 691 Cb 0.33 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1xdj h ARG 691 CO 0.00 0.28 -1.08 0.28 -1.51 0.00 0.00 179.97 177.94 1xdj n VAL 692 N -4.92 0.46 -1.74 0.20 0.31 -1.26 -5.06 118.33 106.32 1xdj n VAL 692 Ca -0.06 0.01 -0.38 0.00 -0.01 0.00 0.00 64.34 63.89 1xdj n VAL 692 Cb 0.13 -1.60 0.04 0.00 -0.91 0.00 0.00 33.84 31.51 1xdj n VAL 692 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xdj n LEU 693 N -3.31 5.56 -4.76 7.52 4.77 -1.25 -4.95 117.00 120.58 1xdj n LEU 693 Ca -0.09 0.97 -0.39 0.00 -0.03 0.00 0.00 56.01 56.47 1xdj n LEU 693 Cb 0.48 -1.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.01 1xdj n LEU 693 CO 0.01 -0.61 1.00 -2.84 -1.33 0.00 0.00 177.39 173.62 1xdj s PRO 694 N -2.91 3.60 0.50 3.23 0.02 -1.26 -4.70 135.00 133.48 1xdj s PRO 694 Ca 0.72 2.24 0.23 0.00 0.02 0.00 0.00 61.00 64.21 1xdj s PRO 694 Cb -0.41 -2.54 1.32 0.00 0.02 0.00 0.00 34.50 32.89 1xdj s PRO 694 CO 0.49 -0.83 2.07 1.57 -0.33 0.00 0.00 177.00 179.96 1xdj h LYS 695 N 2.13 0.00 0.00 5.54 2.10 -1.93 -2.64 116.57 121.77 1xdj h LYS 695 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1xdj h LYS 695 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1xdj h LYS 695 CO 0.60 0.13 0.00 -0.85 -2.00 0.00 0.00 179.45 177.33 1xdj n GLU 696 N -3.94 0.79 0.01 0.07 0.00 -1.26 -2.78 120.64 113.54 1xdj n GLU 696 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.25 1xdj n GLU 696 Cb 0.22 -1.41 -0.10 0.00 0.00 0.00 0.00 31.44 30.14 1xdj n GLU 696 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xdj n LEU 697 N -0.91 0.37 -4.72 -1.84 4.77 -0.99 -4.96 117.00 108.71 1xdj n LEU 697 Ca 0.16 -0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.70 1xdj n LEU 697 Cb 0.07 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1xdj n LEU 697 CO 0.12 0.02 0.49 -0.63 -1.33 0.00 0.00 177.39 176.06 1xdj s ILE 698 N -3.36 4.89 0.21 -0.08 -1.09 -1.12 -0.37 121.20 120.28 1xdj s ILE 698 Ca -0.02 1.67 0.11 0.00 -2.23 0.00 0.00 60.65 60.18 1xdj s ILE 698 Cb 0.14 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1xdj s ILE 698 CO 0.87 0.27 -0.22 0.26 -1.23 0.00 0.00 174.94 174.88 1xdj s TRP 699 N 0.55 2.32 -0.16 3.97 0.52 -0.67 -3.97 118.94 121.49 1xdj s TRP 699 Ca 0.41 -0.34 -0.00 0.00 0.02 0.00 0.00 56.10 56.19 1xdj s TRP 699 Cb -0.20 -1.12 -0.00 0.00 -1.15 0.00 0.00 33.47 31.01 1xdj s TRP 699 CO 0.22 0.55 -0.14 0.42 0.02 0.00 0.00 176.95 178.02 1xdj s ILE 700 N -1.86 2.70 0.30 2.03 1.01 -0.28 -1.60 121.20 123.50 1xdj s ILE 700 Ca 0.23 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1xdj s ILE 700 Cb -0.07 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1xdj s ILE 700 CO 0.11 0.51 0.56 0.54 0.00 0.00 0.00 174.94 176.66 1xdj s ASN 701 N 0.93 0.13 0.77 3.58 2.20 -0.93 -1.80 114.94 119.83 1xdj s ASN 701 Ca -0.03 -1.05 -0.11 0.00 -0.94 0.00 0.00 52.86 50.73 1xdj s ASN 701 Cb -0.15 0.66 0.05 0.00 -2.00 0.00 0.00 41.25 39.82 1xdj s ASN 701 CO -0.02 -1.29 1.09 -2.84 -2.94 0.00 0.00 177.10 171.10 1xdj s PRO 702 N -3.51 2.35 0.19 3.55 0.02 -1.26 -0.56 135.00 135.79 1xdj s PRO 702 Ca 0.22 0.73 -0.12 0.00 0.02 0.00 0.00 61.00 61.85 1xdj s PRO 702 Cb -0.02 -1.94 0.19 0.00 0.02 0.00 0.00 34.50 32.75 1xdj s PRO 702 CO 0.12 -1.46 1.78 -0.44 -0.33 0.00 0.00 177.00 176.67 1xdj h ASP 703 N -0.97 0.37 -1.01 2.53 3.32 -1.30 -3.41 116.42 115.95 1xdj h ASP 703 Ca -0.46 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1xdj h ASP 703 Cb 1.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1xdj h ASP 703 CO 0.59 0.25 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 1xdj s GLY 705 N -0.74 1.66 -0.07 0.00 0.00 -1.26 -4.50 107.32 102.41 1xdj s GLY 705 Ca 0.00 0.38 0.14 0.00 0.00 0.00 0.00 44.72 45.24 1xdj s GLY 705 CO 0.00 0.84 1.38 1.04 0.00 0.00 0.00 173.10 176.36 1xdj n LEU 706 N -4.23 3.55 0.29 0.66 4.32 -0.53 -4.69 117.00 116.38 1xdj n LEU 706 Ca 0.10 -2.36 0.18 0.00 -0.02 0.00 0.00 56.01 53.90 1xdj n LEU 706 Cb 0.53 -0.39 0.89 0.00 -1.62 0.00 0.00 43.42 42.83 1xdj n LEU 706 CO 0.52 0.74 1.15 0.50 -1.22 0.00 0.00 177.39 179.08 1xdj h LYS 707 N 2.41 0.00 0.00 3.23 3.64 -1.68 -2.04 116.57 122.13 1xdj h LYS 707 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xdj h LYS 707 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1xdj h LYS 707 CO 0.10 0.00 -1.26 0.25 -2.27 0.00 0.00 179.45 176.27 1xdj n THR 708 N -3.13 0.09 -2.35 1.00 -2.24 -1.26 -4.17 114.28 102.21 1xdj n THR 708 Ca -0.01 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.27 1xdj n THR 708 Cb 0.34 0.36 0.14 0.00 -2.10 0.00 0.00 70.33 69.07 1xdj n THR 708 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xdj s ARG 709 N -3.23 1.23 0.07 -0.78 1.81 -0.79 -5.04 118.95 112.23 1xdj s ARG 709 Ca 0.02 -0.89 0.06 0.00 -1.72 0.00 0.00 55.73 53.20 1xdj s ARG 709 Cb 0.15 -2.15 -0.04 0.00 -0.45 0.00 0.00 34.95 32.46 1xdj s ARG 709 CO 0.85 -1.85 -0.10 -0.80 -0.68 0.00 0.00 175.30 172.71 1xdj s ASN 710 N -4.81 4.35 0.30 0.23 0.01 -1.26 -4.46 114.94 109.30 1xdj s ASN 710 Ca 0.70 -0.33 0.06 0.00 -0.71 0.00 0.00 52.86 52.57 1xdj s ASN 710 Cb -0.04 -0.86 0.74 0.00 0.41 0.00 0.00 41.25 41.50 1xdj s ASN 710 CO 0.48 0.22 1.76 -0.50 -1.51 0.00 0.00 177.10 177.54 1xdj h TRP 711 N 4.00 0.99 0.00 2.20 4.06 -1.96 -0.89 115.95 124.36 1xdj h TRP 711 Ca -0.48 0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.50 1xdj h TRP 711 Cb 1.16 -0.29 -0.00 0.00 -1.00 0.00 0.00 29.16 29.03 1xdj h TRP 711 CO 0.58 0.17 -0.01 0.38 -3.56 0.00 0.00 178.44 176.01 1xdj h ASP 712 N 0.68 0.00 0.24 -3.49 2.03 -2.01 -0.48 116.42 113.40 1xdj h ASP 712 Ca 0.58 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.56 1xdj h ASP 712 Cb 0.95 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.39 1xdj h ASP 712 CO -0.41 0.01 -2.04 -0.62 -1.03 0.00 0.00 179.24 175.15 1xdj n GLU 713 N -3.50 0.66 -0.03 4.15 1.02 -0.41 -4.37 120.64 118.15 1xdj n GLU 713 Ca -0.03 0.13 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 1xdj n GLU 713 Cb 0.10 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 29.76 1xdj n GLU 713 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xdj h VAL 714 N 0.00 1.52 0.42 2.62 2.07 -0.55 -3.11 116.25 119.21 1xdj h VAL 714 Ca -0.40 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 1xdj h VAL 714 Cb 2.08 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 34.40 1xdj h VAL 714 CO 0.05 0.43 -0.36 0.40 0.02 0.00 0.00 177.57 178.12 1xdj h ILE 715 N -0.56 0.27 -0.80 4.57 1.08 -1.35 0.65 117.51 121.37 1xdj h ILE 715 Ca -0.01 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1xdj h ILE 715 Cb 0.75 0.27 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 1xdj h ILE 715 CO 0.02 0.00 0.52 1.55 -0.69 0.00 0.00 178.15 179.55 1xdj h PRO 716 N -0.78 0.89 -0.57 2.37 0.13 -1.76 0.34 132.00 132.62 1xdj h PRO 716 Ca -0.04 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.94 1xdj h PRO 716 Cb 0.68 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 1xdj h PRO 716 CO -0.03 0.59 -0.03 0.77 -0.23 0.00 0.00 178.00 179.07 1xdj h SER 717 N 0.92 1.00 -0.33 1.44 0.02 -1.41 -2.13 113.55 113.06 1xdj h SER 717 Ca 0.33 -0.29 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 1xdj h SER 717 Cb 0.15 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1xdj h SER 717 CO -0.11 1.07 -0.28 -0.07 -1.14 0.00 0.00 176.83 176.30 1xdj h LEU 718 N 0.92 0.88 -0.82 5.07 4.07 -0.14 -2.96 115.31 122.32 1xdj h LEU 718 Ca 0.16 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 1xdj h LEU 718 Cb 0.58 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 42.04 1xdj h LEU 718 CO 0.03 1.10 0.46 0.03 -1.08 0.00 0.00 178.44 178.98 1xdj h ARG 719 N 0.72 1.14 -1.74 1.13 3.08 -0.70 -1.17 114.38 116.84 1xdj h ARG 719 Ca 0.08 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xdj h ARG 719 Cb 0.83 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1xdj h ARG 719 CO 0.07 0.83 0.00 0.09 -1.07 0.00 0.00 179.97 179.89 1xdj n ASN 720 N -4.41 0.77 0.00 7.04 3.02 -0.82 -0.83 115.26 120.04 1xdj n ASN 720 Ca 0.08 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1xdj n ASN 720 Cb 0.09 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1xdj n ASN 720 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1xdj n VAL 722 N 0.88 0.00 0.13 2.41 0.31 -0.44 0.13 118.33 121.74 1xdj n VAL 722 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1xdj n VAL 722 Cb 0.13 0.00 0.36 0.00 -0.91 0.00 0.00 33.84 33.42 1xdj n VAL 722 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xdj h ALA 723 N 0.00 1.43 0.21 3.52 0.00 -1.23 -2.10 119.26 121.09 1xdj h ALA 723 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1xdj h ALA 723 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xdj h ALA 723 CO 0.00 0.40 -0.10 1.25 0.00 0.00 0.00 179.25 180.80 1xdj h LEU 724 N 0.19 -0.23 -1.51 0.00 7.12 0.85 -2.47 115.31 119.25 1xdj h LEU 724 Ca 0.03 -0.26 0.09 0.00 0.13 0.00 0.00 57.88 57.87 1xdj h LEU 724 Cb 0.48 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.63 1xdj h LEU 724 CO 0.03 0.17 0.44 0.00 -0.13 0.00 0.00 178.44 178.95 1xdj h ALA 725 N -0.02 1.87 0.52 1.25 0.00 -1.77 -1.92 119.26 119.18 1xdj h ALA 725 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xdj h ALA 725 Cb 0.48 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xdj h ALA 725 CO 0.05 -0.01 -0.25 1.57 0.00 0.00 0.00 179.25 180.61 1xdj h LYS 726 N 0.56 -0.67 -1.00 0.00 -0.00 -1.27 0.62 116.57 114.81 1xdj h LYS 726 Ca 0.30 0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.99 1xdj h LYS 726 Cb 0.43 0.15 0.00 0.00 -0.00 0.00 0.00 32.23 32.81 1xdj h LYS 726 CO -0.09 -0.43 0.00 0.39 -0.00 0.00 0.00 179.45 179.32 1xdj n GLU 727 N -5.37 0.00 0.00 0.07 1.02 -0.72 -2.21 120.64 113.42 1xdj n GLU 727 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1xdj n GLU 727 Cb 0.30 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1xdj n GLU 727 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xdj n ARG 729 N 0.68 0.00 0.03 3.49 1.74 0.21 -2.16 116.66 120.65 1xdj n ARG 729 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1xdj n ARG 729 Cb 0.00 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 31.60 1xdj n ARG 729 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1xdj h GLU 730 N 0.00 0.43 0.00 5.56 5.08 -1.70 -2.02 114.58 121.94 1xdj h GLU 730 Ca 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1xdj h GLU 730 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xdj h GLU 730 CO 0.00 0.76 0.00 0.36 -1.00 0.00 0.00 179.01 179.13 1xdj n LYS 731 N -4.04 0.00 0.00 2.33 0.00 -0.92 -3.69 118.16 111.85 1xdj n LYS 731 Ca -0.01 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 58.78 1xdj n LYS 731 Cb 0.49 -1.17 0.00 0.00 -0.00 0.00 0.00 35.03 34.35 1xdj n LYS 731 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1xdj n PHE 732 N -1.96 0.00 0.00 5.58 3.01 -1.25 -5.25 117.46 117.59 1xdj n PHE 732 Ca 0.00 -0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1xdj n PHE 732 Cb 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 1xdj n PHE 732 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16