#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgq n HIS 6 N 0.00 -1.49 -1.42 0.00 8.25 -1.26 -5.08 115.22 114.23 2wgq n HIS 6 Ca 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2wgq n HIS 6 Cb 0.00 -1.61 0.00 0.00 1.12 0.00 0.00 29.99 29.50 2wgq n HIS 6 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2wgq n MET 7 N -3.60 1.11 -4.42 -0.41 0.00 -1.26 -4.82 117.12 103.73 2wgq n MET 7 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.52 2wgq n MET 7 Cb 0.58 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.66 2wgq n MET 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2wgq s VAL 8 N 0.35 0.90 0.01 2.03 0.11 -0.21 -4.93 120.40 118.65 2wgq s VAL 8 Ca 0.00 -0.62 -0.30 0.00 -2.93 0.00 0.00 61.98 58.12 2wgq s VAL 8 Cb 0.00 -0.78 -0.06 0.00 -1.53 0.00 0.00 36.38 34.01 2wgq s VAL 8 CO 0.00 0.15 1.47 -2.16 -3.33 0.00 0.00 175.10 171.23 2wgq s PRO 9 N -0.54 4.25 0.02 1.54 0.04 -1.26 -0.26 135.00 138.80 2wgq s PRO 9 Ca 0.03 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 2wgq s PRO 9 Cb -0.05 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.82 2wgq s PRO 9 CO 0.00 -0.64 1.14 1.98 0.04 0.00 0.00 177.00 179.52 2wgq h MET 10 N 8.09 -0.27 -1.00 4.56 4.05 -1.29 -2.71 114.93 126.35 2wgq h MET 10 Ca -0.39 0.02 0.22 0.00 -0.28 0.00 0.00 59.70 59.28 2wgq h MET 10 Cb 1.18 0.06 -0.10 0.00 -0.80 0.00 0.00 31.60 31.94 2wgq h MET 10 CO 0.91 -0.18 0.62 0.22 0.23 0.00 0.00 176.91 178.71 2wgq h ASP 11 N -0.29 0.63 0.85 1.39 3.58 -1.93 -2.42 116.42 118.23 2wgq h ASP 11 Ca -0.02 0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 2wgq h ASP 11 Cb 0.23 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.28 2wgq h ASP 11 CO 0.01 0.17 -0.41 0.50 -2.88 0.00 0.00 179.24 176.64 2wgq h LYS 12 N 0.58 -1.10 0.00 0.28 1.63 -1.88 -2.84 116.57 113.24 2wgq h LYS 12 Ca 0.59 0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 60.43 2wgq h LYS 12 Cb 1.17 0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 33.04 2wgq h LYS 12 CO -0.36 -0.72 -0.17 1.15 -3.45 0.00 0.00 179.45 175.90 2wgq h THR 13 N -1.25 1.10 -0.25 1.00 2.02 -1.17 -2.64 112.91 111.72 2wgq h THR 13 Ca -0.12 -0.58 -0.16 0.00 0.77 0.00 0.00 66.41 66.32 2wgq h THR 13 Cb 0.88 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2wgq h THR 13 CO 0.19 0.17 -0.46 -0.07 0.37 0.00 0.00 175.52 175.71 2wgq h LEU 14 N 0.00 0.84 -0.62 2.58 3.38 -1.43 -1.06 115.31 118.99 2wgq h LEU 14 Ca -0.00 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 2wgq h LEU 14 Cb 0.30 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2wgq h LEU 14 CO 0.02 1.22 0.27 0.11 0.09 0.00 0.00 178.44 180.15 2wgq h LYS 15 N 0.49 0.91 0.02 1.13 1.79 -1.38 -0.42 116.57 119.10 2wgq h LYS 15 Ca 0.01 -0.15 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2wgq h LYS 15 Cb 1.07 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.53 2wgq h LYS 15 CO 0.10 0.75 -0.19 0.93 -1.08 0.00 0.00 179.45 179.97 2wgq h GLU 16 N 0.86 -0.30 0.00 3.15 4.39 -1.30 -1.65 114.58 119.72 2wgq h GLU 16 Ca 0.21 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.93 2wgq h GLU 16 Cb 0.16 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2wgq h GLU 16 CO -0.02 -0.20 0.00 0.35 -1.16 0.00 0.00 179.01 177.98 2wgq h PHE 17 N -0.31 0.00 0.00 4.33 3.57 -0.99 -3.46 116.94 120.08 2wgq h PHE 17 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2wgq h PHE 17 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2wgq h PHE 17 CO -0.23 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.26 2wgq n GLY 18 N -0.17 0.84 3.86 2.40 0.00 -0.32 -5.07 105.19 106.73 2wgq n GLY 18 Ca 0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2wgq n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgq s ALA 19 N -2.00 3.49 0.22 4.61 0.00 -0.34 -4.88 121.76 122.86 2wgq s ALA 19 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 2wgq s ALA 19 Cb 0.00 -2.56 -0.08 0.00 0.00 0.00 0.00 23.12 20.47 2wgq s ALA 19 CO 0.00 0.44 0.97 0.34 0.00 0.00 0.00 175.76 177.52 2wgq s ASP 20 N -2.18 7.55 -0.21 0.00 2.15 0.92 -4.34 116.67 120.56 2wgq s ASP 20 Ca 0.47 1.98 0.01 0.00 0.43 0.00 0.00 52.55 55.44 2wgq s ASP 20 Cb -0.12 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 39.94 2wgq s ASP 20 CO 0.20 0.06 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.49 2wgq s VAL 21 N -0.94 1.54 -0.09 1.11 1.01 -1.26 -2.06 120.40 119.72 2wgq s VAL 21 Ca 0.43 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2wgq s VAL 21 Cb -0.27 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2wgq s VAL 21 CO 0.33 0.06 -0.18 -1.10 0.00 0.00 0.00 175.10 174.20 2wgq s GLN 22 N 1.42 2.89 -0.13 2.72 -1.52 -0.46 -5.01 119.66 119.58 2wgq s GLN 22 Ca -0.03 -0.78 0.02 0.00 -1.95 0.00 0.00 55.36 52.62 2wgq s GLN 22 Cb -0.17 -2.39 -0.00 0.00 -0.22 0.00 0.00 33.01 30.22 2wgq s GLN 22 CO -0.07 0.36 -0.18 -0.46 -0.25 0.00 0.00 175.29 174.69 2wgq s TRP 23 N -0.06 2.71 -0.41 0.91 -0.11 -1.26 -0.31 118.94 120.41 2wgq s TRP 23 Ca -0.04 -0.94 -0.02 0.00 1.22 0.00 0.00 56.10 56.32 2wgq s TRP 23 Cb -0.14 -1.81 0.11 0.00 -1.50 0.00 0.00 33.47 30.13 2wgq s TRP 23 CO 0.04 -0.38 0.19 0.34 -4.62 0.00 0.00 176.95 172.52 2wgq s ASP 24 N 0.51 5.16 0.31 5.86 -1.08 -0.54 -4.96 116.67 121.92 2wgq s ASP 24 Ca -0.12 -2.10 0.01 0.00 -0.52 0.00 0.00 52.55 49.83 2wgq s ASP 24 Cb -0.16 -1.79 0.49 0.00 -1.46 0.00 0.00 42.92 40.00 2wgq s ASP 24 CO 0.05 -0.51 1.86 -0.78 0.52 0.00 0.00 175.17 176.31 2wgq h ASP 25 N 7.92 0.67 0.09 -0.34 3.58 -1.96 1.16 116.42 127.53 2wgq h ASP 25 Ca -0.11 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.22 2wgq h ASP 25 Cb 1.04 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2wgq h ASP 25 CO 0.67 0.67 -0.04 0.22 -2.88 0.00 0.00 179.24 177.87 2wgq h TYR 26 N 0.70 -0.11 0.00 0.28 3.20 -1.97 -2.98 116.97 116.08 2wgq h TYR 26 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2wgq h TYR 26 Cb 0.27 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2wgq h TYR 26 CO 0.01 0.07 -0.09 0.00 -1.64 0.00 0.00 178.16 176.51 2wgq n ALA 27 N -2.23 2.38 -3.59 1.82 0.00 -0.99 -4.94 120.51 112.97 2wgq n ALA 27 Ca -0.08 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 2wgq n ALA 27 Cb 0.14 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.22 2wgq n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wgq n GLN 28 N -2.20 -6.06 -3.92 0.00 1.13 0.39 -4.98 117.38 101.75 2wgq n GLN 28 Ca 0.05 0.74 -0.23 0.00 -1.94 0.00 0.00 57.00 55.63 2wgq n GLN 28 Cb 0.43 -5.58 -0.17 0.00 0.11 0.00 0.00 30.24 25.02 2wgq n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2wgq s LEU 29 N -6.67 0.91 0.41 1.08 2.96 -0.83 -4.24 118.68 112.31 2wgq s LEU 29 Ca 0.13 -0.13 -0.22 0.00 -0.22 0.00 0.00 54.13 53.68 2wgq s LEU 29 Cb -0.06 -0.51 -0.10 0.00 0.50 0.00 0.00 46.19 46.02 2wgq s LEU 29 CO 0.77 -0.14 0.98 -0.36 -1.32 0.00 0.00 176.35 176.28 2wgq s PHE 30 N 1.60 3.33 -0.14 5.38 0.08 0.66 -1.47 117.98 127.42 2wgq s PHE 30 Ca -0.00 1.64 -0.01 0.00 0.12 0.00 0.00 56.93 58.68 2wgq s PHE 30 Cb -0.13 -2.94 0.04 0.00 -0.57 0.00 0.00 43.02 39.42 2wgq s PHE 30 CO -0.04 -0.23 -0.02 0.99 -0.10 0.00 0.00 175.22 175.82 2wgq s THR 31 N -1.97 0.79 -0.09 0.64 2.01 0.57 -1.55 115.64 116.04 2wgq s THR 31 Ca 0.60 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 62.26 2wgq s THR 31 Cb -0.14 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 2wgq s THR 31 CO 0.18 0.13 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.26 2wgq s LEU 32 N 1.78 2.26 -0.05 4.42 1.43 0.38 -1.35 118.68 127.54 2wgq s LEU 32 Ca 0.02 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2wgq s LEU 32 Cb -0.14 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2wgq s LEU 32 CO -0.07 0.19 -0.12 -0.63 0.23 0.00 0.00 176.35 175.95 2wgq s ILE 33 N 0.17 1.10 -0.29 -0.59 1.01 -0.87 -0.39 121.20 121.34 2wgq s ILE 33 Ca -0.12 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 2wgq s ILE 33 Cb -0.16 -0.99 0.16 0.00 0.01 0.00 0.00 42.46 41.47 2wgq s ILE 33 CO 0.07 0.34 0.58 -0.75 0.00 0.00 0.00 174.94 175.17 2wgq s LYS 34 N 0.51 0.53 5.71 2.79 2.47 -0.31 -0.06 119.74 131.39 2wgq s LYS 34 Ca -0.11 1.10 0.00 0.00 -1.56 0.00 0.00 55.97 55.40 2wgq s LYS 34 Cb -0.14 0.53 0.00 0.00 -1.46 0.00 0.00 37.83 36.76 2wgq s LYS 34 CO 0.03 -0.46 0.00 -0.25 0.16 0.00 0.00 175.35 174.83 2wgq n ASP 35 N 5.43 0.00 -0.04 1.43 8.00 -1.26 -1.35 116.55 128.75 2wgq n ASP 35 Ca -0.05 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.60 2wgq n ASP 35 Cb 0.50 0.00 0.85 0.00 -0.02 0.00 0.00 41.12 42.45 2wgq n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wgq n GLY 36 N 0.00 -1.01 3.59 0.44 0.00 -1.26 -4.74 105.19 102.21 2wgq n GLY 36 Ca 0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2wgq n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgq s ALA 37 N -2.18 3.54 -0.33 4.61 0.00 -0.46 -4.52 121.76 122.42 2wgq s ALA 37 Ca 0.41 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 2wgq s ALA 37 Cb 0.21 -2.72 0.06 0.00 0.00 0.00 0.00 23.12 20.67 2wgq s ALA 37 CO 0.40 -0.75 0.07 -0.47 0.00 0.00 0.00 175.76 175.00 2wgq s TYR 38 N 2.04 3.32 -0.12 0.00 6.14 -1.26 -1.16 117.35 126.30 2wgq s TYR 38 Ca 0.13 -1.84 0.00 0.00 0.64 0.00 0.00 57.07 56.01 2wgq s TYR 38 Cb -0.16 -2.36 -0.02 0.00 0.42 0.00 0.00 41.96 39.85 2wgq s TYR 38 CO 0.11 -0.81 -0.13 0.08 0.64 0.00 0.00 175.55 175.43 2wgq s VAL 39 N 1.28 3.06 -0.10 3.14 1.01 0.48 -1.65 120.40 127.62 2wgq s VAL 39 Ca -0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2wgq s VAL 39 Cb -0.20 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2wgq s VAL 39 CO -0.01 0.53 -0.07 -0.54 0.00 0.00 0.00 175.10 175.02 2wgq s LYS 40 N 0.20 3.06 -0.20 2.72 1.02 0.43 -0.47 119.74 126.49 2wgq s LYS 40 Ca -0.08 -0.56 -0.12 0.00 0.02 0.00 0.00 55.97 55.23 2wgq s LYS 40 Cb -0.15 -2.67 0.06 0.00 -0.52 0.00 0.00 37.83 34.55 2wgq s LYS 40 CO 0.05 0.50 0.50 0.54 -0.92 0.00 0.00 175.35 176.02 2wgq s VAL 41 N -0.36 -0.02 -0.07 3.17 0.11 -0.59 0.21 120.40 122.85 2wgq s VAL 41 Ca 0.05 0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.11 2wgq s VAL 41 Cb -0.12 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2wgq s VAL 41 CO 0.02 0.02 0.16 -0.54 -3.33 0.00 0.00 175.10 171.43 2wgq s LYS 42 N 1.37 3.44 0.24 1.54 1.02 -1.26 -0.24 119.74 125.85 2wgq s LYS 42 Ca -0.09 -0.22 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 2wgq s LYS 42 Cb -0.07 -3.15 -0.14 0.00 -0.52 0.00 0.00 37.83 33.95 2wgq s LYS 42 CO -0.14 0.73 1.18 -2.30 -0.92 0.00 0.00 175.35 173.91 2wgq n PRO 43 N 1.53 1.51 -1.36 -1.68 -0.02 -1.26 -1.73 135.00 131.99 2wgq n PRO 43 Ca -0.16 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 2wgq n PRO 43 Cb 0.54 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 2wgq n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wgq n GLY 44 N 1.68 1.23 3.90 -1.23 0.00 0.60 -4.88 105.19 106.49 2wgq n GLY 44 Ca 0.12 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2wgq n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgq s ALA 45 N -2.15 3.41 0.06 4.61 0.00 -0.71 -4.89 121.76 122.10 2wgq s ALA 45 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 51.96 51.35 2wgq s ALA 45 Cb 0.00 -2.59 -0.21 0.00 0.00 0.00 0.00 23.12 20.32 2wgq s ALA 45 CO 0.00 -0.24 1.20 1.96 0.00 0.00 0.00 175.76 178.68 2wgq h GLN 46 N 0.53 0.64 -4.89 0.00 1.08 -1.89 -3.38 115.11 107.20 2wgq h GLN 46 Ca -0.47 -0.63 -0.35 0.00 -1.45 0.00 0.00 58.65 55.75 2wgq h GLN 46 Cb 1.20 0.16 -0.23 0.00 -0.05 0.00 0.00 27.48 28.57 2wgq h GLN 46 CO 0.62 1.23 -0.76 0.95 -0.95 0.00 0.00 178.83 179.92 2wgq s THR 47 N -3.43 0.79 0.36 -0.54 -4.23 -1.26 -0.94 115.64 106.39 2wgq s THR 47 Ca -0.11 -1.02 0.07 0.00 -1.18 0.00 0.00 61.69 59.45 2wgq s THR 47 Cb 0.06 -0.78 -0.00 0.00 1.34 0.00 0.00 72.50 73.12 2wgq s THR 47 CO 0.88 -0.20 0.49 0.00 -0.54 0.00 0.00 174.62 175.25 2wgq s ALA 48 N -1.10 4.31 -0.20 3.99 0.00 -0.02 -4.71 121.76 124.03 2wgq s ALA 48 Ca -0.04 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 50.35 2wgq s ALA 48 Cb -0.09 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 2wgq s ALA 48 CO 0.01 -0.11 -0.05 0.42 0.00 0.00 0.00 175.76 176.03 2wgq s ILE 49 N -2.24 3.42 -0.31 0.00 -1.09 0.13 -1.96 121.20 119.15 2wgq s ILE 49 Ca 0.48 -0.49 -0.00 0.00 -2.23 0.00 0.00 60.65 58.40 2wgq s ILE 49 Cb -0.09 -2.53 0.06 0.00 -1.58 0.00 0.00 42.46 38.32 2wgq s ILE 49 CO 0.31 0.44 0.00 -0.69 -1.23 0.00 0.00 174.94 173.78 2wgq s VAL 50 N 1.17 2.78 -1.46 2.92 1.01 -0.32 -0.43 120.40 126.08 2wgq s VAL 50 Ca 0.02 -1.60 -0.05 0.00 0.00 0.00 0.00 61.98 60.34 2wgq s VAL 50 Cb -0.14 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.58 2wgq s VAL 50 CO -0.01 -0.20 0.48 0.59 0.00 0.00 0.00 175.10 175.96 2wgq n ASN 51 N 4.54 -5.23 0.00 3.32 5.03 -0.66 -1.50 115.26 120.77 2wgq n ASN 51 Ca -0.11 -0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.08 2wgq n ASN 51 Cb 0.43 -4.27 0.00 0.00 -1.02 0.00 0.00 39.78 34.92 2wgq n ASN 51 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wgq n GLY 52 N -1.33 0.64 3.36 7.41 0.00 -1.24 -4.57 105.19 109.45 2wgq n GLY 52 Ca -0.10 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2wgq n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wgq s GLN 53 N -0.47 1.94 0.27 1.61 -1.52 -0.56 -5.10 119.66 115.82 2wgq s GLN 53 Ca 0.00 -1.04 -0.28 0.00 -1.95 0.00 0.00 55.36 52.09 2wgq s GLN 53 Cb 0.00 -2.04 -0.09 0.00 -0.22 0.00 0.00 33.01 30.66 2wgq s GLN 53 CO 0.00 0.53 0.93 -2.14 -0.25 0.00 0.00 175.29 174.36 2wgq s PRO 54 N -1.11 4.73 -0.10 2.91 0.02 -1.26 -1.17 135.00 139.01 2wgq s PRO 54 Ca 0.12 1.40 0.01 0.00 0.02 0.00 0.00 61.00 62.55 2wgq s PRO 54 Cb -0.10 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.35 2wgq s PRO 54 CO 0.02 0.43 -0.13 -1.17 -0.33 0.00 0.00 177.00 175.82 2wgq s LEU 55 N -1.53 1.60 0.20 -5.54 2.96 -0.83 -4.93 118.68 110.61 2wgq s LEU 55 Ca 0.44 -0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.69 2wgq s LEU 55 Cb -0.23 -0.96 -0.09 0.00 0.50 0.00 0.00 46.19 45.41 2wgq s LEU 55 CO 0.28 -0.01 1.35 0.00 -1.32 0.00 0.00 176.35 176.66 2wgq s ALA 56 N 1.03 3.56 -0.16 5.97 0.00 -1.26 -0.84 121.76 130.07 2wgq s ALA 56 Ca -0.07 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 2wgq s ALA 56 Cb -0.15 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 2wgq s ALA 56 CO -0.01 -0.60 -0.11 -0.51 0.00 0.00 0.00 175.76 174.53 2wgq s LEU 57 N -0.03 2.74 0.09 0.00 1.43 -0.12 -4.86 118.68 117.93 2wgq s LEU 57 Ca 0.58 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.18 2wgq s LEU 57 Cb -0.38 -1.64 -0.12 0.00 0.03 0.00 0.00 46.19 44.08 2wgq s LEU 57 CO 0.38 0.11 1.35 -0.61 0.23 0.00 0.00 176.35 177.81 2wgq h GLN 58 N 7.15 0.71 -4.06 1.70 4.15 -1.96 -3.40 115.11 119.40 2wgq h GLN 58 Ca -0.31 -0.47 -0.71 0.00 0.77 0.00 0.00 58.65 57.93 2wgq h GLN 58 Cb 1.19 0.06 -0.33 0.00 0.21 0.00 0.00 27.48 28.62 2wgq h GLN 58 CO 0.58 1.09 -0.41 0.08 -1.93 0.00 0.00 178.83 178.24 2wgq s VAL 59 N -4.03 3.78 0.74 2.39 1.01 -1.26 -5.09 120.40 117.93 2wgq s VAL 59 Ca -0.12 -2.38 -0.15 0.00 0.00 0.00 0.00 61.98 59.33 2wgq s VAL 59 Cb 0.08 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 33.00 2wgq s VAL 59 CO 0.85 -0.80 1.21 -2.65 0.00 0.00 0.00 175.10 173.71 2wgq n PRO 60 N 4.19 0.58 -1.95 2.72 -0.02 -1.26 -4.69 135.00 134.58 2wgq n PRO 60 Ca 0.01 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 2wgq n PRO 60 Cb 0.40 -2.45 -0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2wgq n PRO 60 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wgq s VAL 61 N -1.80 2.37 -0.11 -1.45 1.01 -1.26 -4.63 120.40 114.53 2wgq s VAL 61 Ca 0.77 0.35 -0.00 0.00 0.00 0.00 0.00 61.98 63.10 2wgq s VAL 61 Cb -0.33 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2wgq s VAL 61 CO 0.47 0.07 -0.11 -0.69 0.00 0.00 0.00 175.10 174.84 2wgq s VAL 62 N -1.19 3.29 -0.23 2.92 1.01 -0.25 0.22 120.40 126.18 2wgq s VAL 62 Ca 0.55 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 2wgq s VAL 62 Cb -0.42 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2wgq s VAL 62 CO 0.55 0.54 0.02 -0.32 0.00 0.00 0.00 175.10 175.89 2wgq s MET 63 N 0.02 3.55 0.00 2.72 1.75 -1.26 -0.52 119.30 125.56 2wgq s MET 63 Ca -0.03 -0.54 0.00 0.00 -1.25 0.00 0.00 55.69 53.87 2wgq s MET 63 Cb -0.14 -3.17 0.00 0.00 2.84 0.00 0.00 34.83 34.36 2wgq s MET 63 CO 0.04 -0.16 0.00 1.63 -0.65 0.00 0.00 175.02 175.87 2wgq n LYS 64 N 4.78 0.00 -2.38 4.11 4.76 0.06 -4.85 118.16 124.64 2wgq n LYS 64 Ca -0.17 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.84 2wgq n LYS 64 Cb 0.51 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.71 2wgq n LYS 64 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2wgq n ASP 65 N 0.00 5.24 0.00 4.39 10.43 -1.26 -4.58 116.55 130.77 2wgq n ASP 65 Ca 0.00 -3.14 0.00 0.00 2.57 0.00 0.00 54.79 54.22 2wgq n ASP 65 Cb 0.00 -1.46 0.00 0.00 1.84 0.00 0.00 41.12 41.50 2wgq n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2wgq n ASN 66 N 3.60 -2.72 -4.71 -2.24 5.03 -1.26 -4.98 115.26 107.99 2wgq n ASN 66 Ca 0.39 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.49 2wgq n ASN 66 Cb 0.36 -1.96 -0.08 0.00 -1.02 0.00 0.00 39.78 37.07 2wgq n ASN 66 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2wgq s LYS 67 N -0.94 4.04 0.07 3.52 2.20 -1.26 -5.10 119.74 122.26 2wgq s LYS 67 Ca 0.00 -0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.29 2wgq s LYS 67 Cb 0.00 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 2wgq s LYS 67 CO 0.00 0.33 0.31 0.00 -0.36 0.00 0.00 175.35 175.64 2wgq s ALA 68 N 0.24 3.83 0.01 3.13 0.00 -1.26 -0.76 121.76 126.95 2wgq s ALA 68 Ca 0.07 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2wgq s ALA 68 Cb -0.12 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 2wgq s ALA 68 CO -0.01 0.67 -0.03 -1.58 0.00 0.00 0.00 175.76 174.81 2wgq s TRP 69 N -1.45 0.29 0.24 0.00 0.52 0.33 -0.85 118.94 118.02 2wgq s TRP 69 Ca 0.33 -0.15 0.04 0.00 0.02 0.00 0.00 56.10 56.34 2wgq s TRP 69 Cb -0.13 -0.19 -0.05 0.00 -1.15 0.00 0.00 33.47 31.95 2wgq s TRP 69 CO 0.20 -0.03 -0.01 0.14 0.02 0.00 0.00 176.95 177.27 2wgq s VAL 70 N -0.37 1.14 0.65 4.03 -7.23 0.65 -1.09 120.40 118.19 2wgq s VAL 70 Ca -0.02 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 57.93 2wgq s VAL 70 Cb -0.03 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 2wgq s VAL 70 CO -0.00 -0.33 0.61 -1.20 -0.31 0.00 0.00 175.10 173.87 2wgq n SER 71 N -0.44 -0.79 0.32 4.85 7.64 -1.26 -1.04 113.62 122.90 2wgq n SER 71 Ca -0.05 0.67 0.20 0.00 1.01 0.00 0.00 58.87 60.70 2wgq n SER 71 Cb 0.64 -1.24 1.10 0.00 -1.01 0.00 0.00 64.21 63.71 2wgq n SER 71 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2wgq h ASP 72 N -0.04 0.00 -0.57 6.43 2.03 -1.92 -2.82 116.42 119.53 2wgq h ASP 72 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2wgq h ASP 72 Cb 1.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 2wgq h ASP 72 CO 0.45 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 179.01 2wgq n THR 73 N -3.23 0.75 -0.02 1.15 -2.24 -1.26 -4.71 114.28 104.72 2wgq n THR 73 Ca -0.03 -0.85 -0.13 0.00 -2.27 0.00 0.00 64.05 60.77 2wgq n THR 73 Cb 0.13 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 2wgq n THR 73 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2wgq h PHE 74 N 4.26 -0.03 -0.39 4.78 3.04 -1.86 -0.04 116.94 126.70 2wgq h PHE 74 Ca 0.00 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.03 2wgq h PHE 74 Cb 0.96 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.40 2wgq h PHE 74 CO 0.37 0.57 -0.10 0.82 -2.02 0.00 0.00 178.31 177.96 2wgq h ILE 75 N -0.66 0.60 -0.67 1.41 2.04 -1.84 0.32 117.51 118.71 2wgq h ILE 75 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2wgq h ILE 75 Cb 0.62 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2wgq h ILE 75 CO 0.01 0.00 0.18 -1.13 0.00 0.00 0.00 178.15 177.21 2wgq h ASN 76 N -0.01 1.00 -0.31 1.72 -0.73 -1.87 0.17 115.58 115.55 2wgq h ASN 76 Ca 0.19 -0.22 -0.05 0.00 1.87 0.00 0.00 56.30 58.08 2wgq h ASN 76 Cb 0.29 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 2wgq h ASN 76 CO -0.41 0.96 -0.01 0.44 -0.37 0.00 0.00 177.43 178.05 2wgq h ASP 77 N 0.99 0.55 0.15 1.15 3.32 -0.01 -2.64 116.42 119.93 2wgq h ASP 77 Ca 0.21 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2wgq h ASP 77 Cb 0.34 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2wgq h ASP 77 CO -0.00 0.73 -0.07 0.58 -1.72 0.00 0.00 179.24 178.76 2wgq h VAL 78 N 0.35 0.40 0.03 -1.35 2.07 -0.37 -3.34 116.25 114.04 2wgq h VAL 78 Ca 0.09 -1.07 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 2wgq h VAL 78 Cb 0.46 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2wgq h VAL 78 CO 0.02 0.12 -0.55 -0.26 0.02 0.00 0.00 177.57 176.92 2wgq h PHE 79 N -1.01 0.49 -0.11 1.57 0.04 -0.77 -3.08 116.94 114.08 2wgq h PHE 79 Ca -0.02 -0.29 -0.07 0.00 2.80 0.00 0.00 57.97 60.39 2wgq h PHE 79 Cb 0.35 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 2wgq h PHE 79 CO 0.05 1.13 0.09 1.04 -0.60 0.00 0.00 178.31 180.03 2wgq n GLN 80 N -4.28 1.18 -0.02 1.51 3.00 -0.99 -4.48 117.38 113.30 2wgq n GLN 80 Ca -0.11 -0.36 -0.16 0.00 -0.01 0.00 0.00 57.00 56.37 2wgq n GLN 80 Cb 0.66 -1.14 -0.10 0.00 0.00 0.00 0.00 30.24 29.66 2wgq n GLN 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2wgq h SER 81 N 0.88 0.40 0.00 1.08 0.87 -1.66 -3.47 113.55 111.66 2wgq h SER 81 Ca 0.07 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 2wgq h SER 81 Cb 1.03 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2wgq h SER 81 CO 0.16 1.05 0.00 0.61 -0.53 0.00 0.00 176.83 178.12 2wgq n GLY 82 N 0.87 2.81 0.27 5.77 0.00 -1.26 -4.87 105.19 108.78 2wgq n GLY 82 Ca -0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.08 2wgq n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wgq h LEU 83 N 0.00 0.00 -8.87 0.99 3.38 -1.91 -3.38 115.31 105.51 2wgq h LEU 83 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 2wgq h LEU 83 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 2wgq h LEU 83 CO 0.00 0.06 0.21 -0.62 0.09 0.00 0.00 178.44 178.19 2wgq s ASP 84 N -5.82 6.52 0.00 -0.43 2.15 -1.26 -4.76 116.67 113.08 2wgq s ASP 84 Ca 0.00 0.43 0.22 0.00 0.43 0.00 0.00 52.55 53.63 2wgq s ASP 84 Cb 0.10 -2.35 0.09 0.00 -0.30 0.00 0.00 42.92 40.46 2wgq s ASP 84 CO 0.56 -0.54 1.14 0.00 -0.17 0.00 0.00 175.17 176.15 2wgq n GLN 85 N 6.01 1.76 -0.21 4.34 1.13 -1.26 -4.49 117.38 124.66 2wgq n GLN 85 Ca 0.00 -1.45 0.02 0.00 -1.94 0.00 0.00 57.00 53.64 2wgq n GLN 85 Cb 0.49 -1.44 0.12 0.00 0.11 0.00 0.00 30.24 29.52 2wgq n GLN 85 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2wgq h THR 86 N 3.47 0.53 -3.24 5.09 2.02 -1.90 -3.38 112.91 115.50 2wgq h THR 86 Ca 0.00 -0.06 -0.63 0.00 0.77 0.00 0.00 66.41 66.49 2wgq h THR 86 Cb 0.84 0.33 -0.15 0.00 -1.74 0.00 0.00 68.15 67.43 2wgq h THR 86 CO 0.00 0.03 -0.56 -0.36 0.37 0.00 0.00 175.52 175.00 2wgq s PHE 87 N -6.12 3.26 0.24 3.16 0.08 -1.26 0.17 117.98 117.52 2wgq s PHE 87 Ca -0.13 0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.11 2wgq s PHE 87 Cb 0.19 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.56 2wgq s PHE 87 CO 0.74 0.22 -0.15 -0.65 -0.10 0.00 0.00 175.22 175.29 2wgq s GLN 88 N 0.14 1.47 -0.10 0.44 -1.52 -0.60 -4.96 119.66 114.54 2wgq s GLN 88 Ca 0.05 -1.67 -0.16 0.00 -1.95 0.00 0.00 55.36 51.63 2wgq s GLN 88 Cb -0.12 -1.32 -0.05 0.00 -0.22 0.00 0.00 33.01 31.30 2wgq s GLN 88 CO 0.01 0.21 0.39 0.14 -0.25 0.00 0.00 175.29 175.78 2wgq s VAL 89 N -2.84 5.19 0.03 1.09 -7.23 -1.26 -2.88 120.40 112.50 2wgq s VAL 89 Ca 0.26 0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 60.89 2wgq s VAL 89 Cb -0.01 -3.72 -0.06 0.00 0.56 0.00 0.00 36.38 33.15 2wgq s VAL 89 CO 0.10 0.42 1.40 -0.70 -0.31 0.00 0.00 175.10 176.01 2wgq s GLU 90 N 0.07 4.30 0.00 4.82 2.12 -1.26 -4.82 118.70 123.92 2wgq s GLU 90 Ca 0.22 1.99 0.00 0.00 0.36 0.00 0.00 54.97 57.54 2wgq s GLU 90 Cb -0.15 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.75 2wgq s GLU 90 CO 0.09 -0.53 0.28 1.17 -0.54 0.00 0.00 175.26 175.73 2wgq n LYS 91 N 5.01 0.00 -3.06 4.30 3.00 -1.26 -4.72 118.16 121.43 2wgq n LYS 91 Ca 0.13 0.15 -0.41 0.00 -0.00 0.00 0.00 58.31 58.18 2wgq n LYS 91 Cb 0.43 -0.86 -0.05 0.00 0.00 0.00 0.00 35.03 34.54 2wgq n LYS 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2wgq s ARG 92 N -0.86 4.20 0.37 1.64 0.52 -1.26 -5.02 118.95 118.55 2wgq s ARG 92 Ca 0.00 0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 55.63 2wgq s ARG 92 Cb 0.00 -3.60 -0.10 0.00 0.52 0.00 0.00 34.95 31.77 2wgq s ARG 92 CO 0.00 -0.31 1.39 -1.25 0.02 0.00 0.00 175.30 175.15 2wgq s PRO 93 N 2.14 4.15 0.18 3.54 0.04 -1.26 -4.97 135.00 138.82 2wgq s PRO 93 Ca 0.30 2.36 -0.30 0.00 0.04 0.00 0.00 61.00 63.41 2wgq s PRO 93 Cb -0.16 -2.95 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 2wgq s PRO 93 CO 0.10 -0.42 1.07 -1.58 0.04 0.00 0.00 177.00 176.22 2wgq s HIS 94 N -1.16 3.64 0.24 0.56 2.46 -1.26 -4.93 115.29 114.85 2wgq s HIS 94 Ca 0.52 1.65 0.35 0.00 0.47 0.00 0.00 55.06 58.05 2wgq s HIS 94 Cb -0.42 -3.23 1.80 0.00 -0.13 0.00 0.00 32.58 30.60 2wgq s HIS 94 CO 0.57 -0.45 2.06 -1.00 -2.47 0.00 0.00 174.74 173.44 2wgq h PRO 95 N 5.02 0.00 -0.63 2.88 0.13 -1.95 -1.25 132.00 136.20 2wgq h PRO 95 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2wgq h PRO 95 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wgq h PRO 95 CO 0.72 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 2wgq n LEU 96 N -2.76 3.81 -4.69 1.56 4.77 -1.26 -4.73 117.00 113.69 2wgq n LEU 96 Ca -0.02 -1.84 -0.44 0.00 -0.03 0.00 0.00 56.01 53.68 2wgq n LEU 96 Cb 0.10 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2wgq n LEU 96 CO 0.18 0.91 1.12 0.59 -1.33 0.00 0.00 177.39 178.86 2wgq n ASN 97 N 1.60 3.17 -4.63 -1.43 5.03 -0.48 -4.92 115.26 113.60 2wgq n ASN 97 Ca 0.23 1.13 -0.31 0.00 0.87 0.00 0.00 54.58 56.50 2wgq n ASN 97 Cb 0.62 -1.48 0.18 0.00 -1.02 0.00 0.00 39.78 38.08 2wgq n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wgq n ALA 98 N 2.28 -1.20 -1.77 5.41 0.00 -1.26 -4.89 120.51 119.07 2wgq n ALA 98 Ca 0.12 -0.65 -0.41 0.00 0.00 0.00 0.00 53.44 52.49 2wgq n ALA 98 Cb 0.33 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 2wgq n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wgq s LEU 99 N -6.50 4.33 0.84 0.00 1.43 -1.26 -5.00 118.68 112.52 2wgq s LEU 99 Ca 0.67 3.01 -0.12 0.00 -1.03 0.00 0.00 54.13 56.66 2wgq s LEU 99 Cb -0.23 -3.66 0.09 0.00 0.03 0.00 0.00 46.19 42.43 2wgq s LEU 99 CO 0.59 -0.89 1.11 0.42 0.23 0.00 0.00 176.35 177.81 2wgq s THR 100 N -0.67 2.73 0.28 5.49 -4.23 -1.26 -4.82 115.64 113.16 2wgq s THR 100 Ca 0.57 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 61.34 2wgq s THR 100 Cb -0.47 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 70.67 2wgq s THR 100 CO 0.57 -0.31 1.77 0.00 -0.54 0.00 0.00 174.62 176.11 2wgq h ALA 101 N -1.24 1.47 -0.06 3.99 0.00 -1.94 0.75 119.26 122.24 2wgq h ALA 101 Ca -0.48 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2wgq h ALA 101 Cb 1.29 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2wgq h ALA 101 CO 0.60 -0.05 -0.02 -0.44 0.00 0.00 0.00 179.25 179.34 2wgq h ASP 102 N 0.71 0.11 -0.82 0.00 3.32 -1.99 -0.45 116.42 117.30 2wgq h ASP 102 Ca 0.52 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2wgq h ASP 102 Cb 0.76 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 2wgq h ASP 102 CO -0.37 0.47 0.51 -0.33 -1.72 0.00 0.00 179.24 177.80 2wgq h GLU 103 N -0.24 1.12 0.43 3.56 5.08 -1.78 -0.72 114.58 122.03 2wgq h GLU 103 Ca 0.01 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2wgq h GLU 103 Cb 0.42 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wgq h GLU 103 CO 0.01 0.77 -0.21 0.82 -1.00 0.00 0.00 179.01 179.40 2wgq h ILE 104 N 1.14 0.57 -0.21 3.13 2.04 -0.60 -1.07 117.51 122.50 2wgq h ILE 104 Ca 0.30 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 66.12 2wgq h ILE 104 Cb -0.06 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2wgq h ILE 104 CO -0.06 0.02 0.16 0.11 0.00 0.00 0.00 178.15 178.38 2wgq h LYS 105 N -0.64 0.00 -0.05 2.37 1.57 -0.56 -1.00 116.57 118.26 2wgq h LYS 105 Ca -0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2wgq h LYS 105 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2wgq h LYS 105 CO 0.10 0.00 -0.05 0.37 -0.57 0.00 0.00 179.45 179.30 2wgq h GLN 106 N 0.00 0.13 -0.84 3.15 4.15 -0.76 -1.30 115.11 119.63 2wgq h GLN 106 Ca 0.10 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2wgq h GLN 106 Cb 0.42 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 2wgq h GLN 106 CO -0.00 0.57 0.49 0.00 -1.93 0.00 0.00 178.83 177.96 2wgq h ALA 107 N 0.55 1.07 -0.70 3.38 0.00 -0.06 0.30 119.26 123.80 2wgq h ALA 107 Ca 0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2wgq h ALA 107 Cb 0.55 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2wgq h ALA 107 CO 0.01 0.55 0.16 0.28 0.00 0.00 0.00 179.25 180.25 2wgq h VAL 108 N 1.16 1.26 -0.51 0.00 2.07 -1.20 -2.03 116.25 117.01 2wgq h VAL 108 Ca 0.30 -1.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 2wgq h VAL 108 Cb -0.02 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2wgq h VAL 108 CO -0.05 0.38 -0.01 -0.08 0.02 0.00 0.00 177.57 177.83 2wgq h GLU 109 N 1.07 0.86 0.12 1.57 4.57 -0.40 -1.47 114.58 120.89 2wgq h GLU 109 Ca 0.22 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2wgq h GLU 109 Cb 0.40 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2wgq h GLU 109 CO 0.01 0.86 -0.06 0.82 -1.18 0.00 0.00 179.01 179.46 2wgq h ILE 110 N 0.80 0.91 -0.48 2.32 2.04 -0.12 -3.04 117.51 119.94 2wgq h ILE 110 Ca 0.15 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2wgq h ILE 110 Cb 0.49 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2wgq h ILE 110 CO 0.02 0.02 0.26 -0.37 0.00 0.00 0.00 178.15 178.08 2wgq h VAL 111 N -0.19 1.17 0.00 1.67 -1.51 -1.22 -2.29 116.25 113.87 2wgq h VAL 111 Ca -0.02 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2wgq h VAL 111 Cb 0.15 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 2wgq h VAL 111 CO 0.03 0.18 0.09 0.29 -1.23 0.00 0.00 177.57 176.93 2wgq n LYS 112 N -4.67 0.07 0.01 5.19 5.02 -0.57 -1.94 118.16 121.27 2wgq n LYS 112 Ca 0.02 0.53 0.11 0.00 -2.02 0.00 0.00 58.31 56.95 2wgq n LYS 112 Cb 0.09 -1.82 -0.13 0.00 -0.02 0.00 0.00 35.03 33.15 2wgq n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wgq n ALA 113 N -1.58 2.99 -1.53 7.82 0.00 -0.87 -4.84 120.51 122.50 2wgq n ALA 113 Ca -0.01 -0.48 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 2wgq n ALA 113 Cb 0.11 -0.82 0.04 0.00 0.00 0.00 0.00 19.45 18.78 2wgq n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wgq s SER 114 N -4.46 5.25 0.43 0.00 0.15 -0.82 -4.96 113.70 109.29 2wgq s SER 114 Ca -0.05 1.88 0.21 0.00 0.70 0.00 0.00 55.95 58.69 2wgq s SER 114 Cb 0.14 -2.54 1.18 0.00 -1.71 0.00 0.00 66.02 63.09 2wgq s SER 114 CO 0.88 -1.53 1.81 0.00 1.20 0.00 0.00 173.24 175.60 2wgq h ALA 115 N -0.10 2.37 -0.03 5.45 0.00 -1.91 -3.16 119.26 121.88 2wgq h ALA 115 Ca -0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2wgq h ALA 115 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wgq h ALA 115 CO 0.55 -0.72 -0.03 -0.25 0.00 0.00 0.00 179.25 178.80 2wgq n ASP 116 N -4.51 2.73 -4.76 0.00 8.00 -1.26 -4.97 116.55 111.78 2wgq n ASP 116 Ca 0.23 -1.87 -0.36 0.00 0.71 0.00 0.00 54.79 53.50 2wgq n ASP 116 Cb 0.87 0.04 0.01 0.00 -0.02 0.00 0.00 41.12 42.02 2wgq n ASP 116 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wgq s PHE 117 N -1.84 2.59 -0.11 1.24 5.36 -1.20 -5.04 117.98 118.98 2wgq s PHE 117 Ca 0.25 1.52 -0.07 0.00 -0.96 0.00 0.00 56.93 57.66 2wgq s PHE 117 Cb 0.18 -3.41 0.04 0.00 -0.34 0.00 0.00 43.02 39.49 2wgq s PHE 117 CO 0.29 -1.87 0.27 0.15 -1.46 0.00 0.00 175.22 172.60 2wgq s LYS 118 N -3.16 0.26 0.11 10.12 1.02 -1.26 -5.07 119.74 121.77 2wgq s LYS 118 Ca 0.73 0.49 0.06 0.00 0.02 0.00 0.00 55.97 57.26 2wgq s LYS 118 Cb -0.28 -0.00 0.30 0.00 -0.52 0.00 0.00 37.83 37.33 2wgq s LYS 118 CO 0.32 -0.11 1.06 -0.35 -0.92 0.00 0.00 175.35 175.35 2wgq n PRO 119 N 3.70 0.04 -0.04 -1.68 -0.04 -1.26 0.20 135.00 135.92 2wgq n PRO 119 Ca -0.20 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 2wgq n PRO 119 Cb 0.55 -1.78 0.39 0.00 -0.04 0.00 0.00 33.50 32.63 2wgq n PRO 119 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2wgq n ASN 120 N -1.63 1.95 -4.60 3.54 6.94 -1.26 -4.87 115.26 115.33 2wgq n ASN 120 Ca -0.00 -1.68 -0.43 0.00 -0.02 0.00 0.00 54.58 52.45 2wgq n ASN 120 Cb 0.16 -0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.51 2wgq n ASN 120 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2wgq s THR 121 N -1.90 3.40 0.49 5.53 2.01 0.52 -4.40 115.64 121.30 2wgq s THR 121 Ca 0.35 0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.75 2wgq s THR 121 Cb 0.20 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2wgq s THR 121 CO 0.31 -0.33 0.73 -0.13 -0.69 0.00 0.00 174.62 174.51 2wgq s ARG 122 N 5.70 2.98 -0.26 4.92 0.52 -0.05 -4.90 118.95 127.87 2wgq s ARG 122 Ca 0.83 -0.42 -0.04 0.00 -0.52 0.00 0.00 55.73 55.58 2wgq s ARG 122 Cb -0.25 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.74 2wgq s ARG 122 CO 0.34 -0.40 -0.01 -0.06 0.02 0.00 0.00 175.30 175.19 2wgq s PHE 123 N -2.66 3.07 -0.03 -0.53 0.40 0.36 0.04 117.98 118.62 2wgq s PHE 123 Ca 0.50 -1.22 0.12 0.00 -0.60 0.00 0.00 56.93 55.73 2wgq s PHE 123 Cb -0.10 -2.14 -0.20 0.00 0.51 0.00 0.00 43.02 41.10 2wgq s PHE 123 CO 0.39 -0.64 0.85 1.79 0.70 0.00 0.00 175.22 178.32 2wgq h THR 124 N 5.95 0.95 -2.15 0.64 1.35 -0.97 -3.38 112.91 115.31 2wgq h THR 124 Ca -0.34 -2.69 -0.02 0.00 -0.55 0.00 0.00 66.41 62.80 2wgq h THR 124 Cb 1.13 2.43 -0.22 0.00 -1.73 0.00 0.00 68.15 69.76 2wgq h THR 124 CO 0.59 0.54 -0.02 -0.70 -0.25 0.00 0.00 175.52 175.68 2wgq s GLU 125 N -2.70 0.68 -0.33 4.72 2.12 -1.09 -4.93 118.70 117.18 2wgq s GLU 125 Ca -0.03 1.06 0.01 0.00 0.36 0.00 0.00 54.97 56.38 2wgq s GLU 125 Cb 0.08 0.19 0.10 0.00 0.26 0.00 0.00 34.13 34.76 2wgq s GLU 125 CO 0.82 -0.13 0.09 0.42 -0.54 0.00 0.00 175.26 175.91 2wgq s ILE 126 N 1.21 1.44 0.06 -3.70 1.01 -1.26 -0.63 121.20 119.33 2wgq s ILE 126 Ca -0.07 -1.83 0.04 0.00 0.00 0.00 0.00 60.65 58.79 2wgq s ILE 126 Cb -0.05 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 2wgq s ILE 126 CO -0.13 -0.66 -0.12 -0.44 0.00 0.00 0.00 174.94 173.59 2wgq s SER 127 N 1.27 1.40 0.22 3.58 0.01 -0.61 -4.67 113.70 114.90 2wgq s SER 127 Ca 0.11 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 2wgq s SER 127 Cb -0.18 -0.03 -0.15 0.00 0.21 0.00 0.00 66.02 65.86 2wgq s SER 127 CO -0.17 -0.10 1.02 -0.11 0.41 0.00 0.00 173.24 174.29 2wgq n LEU 128 N 1.46 1.32 -4.41 2.44 7.94 -1.26 -0.14 117.00 124.35 2wgq n LEU 128 Ca -0.21 1.16 -0.44 0.00 -1.11 0.00 0.00 56.01 55.41 2wgq n LEU 128 Cb 0.54 -1.22 -0.08 0.00 0.53 0.00 0.00 43.42 43.20 2wgq n LEU 128 CO 0.21 -1.54 0.07 -0.22 -1.11 0.00 0.00 177.39 174.81 2wgq s LEU 129 N 0.81 5.43 0.50 -1.96 2.96 -0.76 -4.60 118.68 121.06 2wgq s LEU 129 Ca 0.66 -1.18 -0.22 0.00 -0.22 0.00 0.00 54.13 53.17 2wgq s LEU 129 Cb -0.80 -2.23 -0.06 0.00 0.50 0.00 0.00 46.19 43.59 2wgq s LEU 129 CO 0.56 -0.66 1.20 -2.16 -1.32 0.00 0.00 176.35 173.96 2wgq s PRO 130 N 1.83 3.51 1.13 0.98 0.04 -1.26 -4.30 135.00 136.93 2wgq s PRO 130 Ca 0.06 1.83 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 2wgq s PRO 130 Cb -0.23 -2.27 0.26 0.00 0.04 0.00 0.00 34.50 32.31 2wgq s PRO 130 CO 0.08 -0.77 1.05 -2.14 0.04 0.00 0.00 177.00 175.25 2wgq s PRO 131 N -2.89 -0.66 0.48 0.56 0.02 -1.26 -4.93 135.00 126.32 2wgq s PRO 131 Ca 0.68 0.62 -0.23 0.00 0.02 0.00 0.00 61.00 62.08 2wgq s PRO 131 Cb -0.30 -1.60 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 2wgq s PRO 131 CO 0.35 -3.49 1.29 0.16 -0.33 0.00 0.00 177.00 174.98 2wgq s ASP 132 N -2.94 5.82 0.52 2.53 -4.77 -1.26 -4.82 116.67 111.75 2wgq s ASP 132 Ca 0.68 2.60 0.22 0.00 -3.30 0.00 0.00 52.55 52.75 2wgq s ASP 132 Cb -0.22 -2.63 1.33 0.00 -1.09 0.00 0.00 42.92 40.32 2wgq s ASP 132 CO 0.62 -1.18 2.03 0.07 0.70 0.00 0.00 175.17 177.41 2wgq h LYS 133 N 1.96 0.04 -0.35 2.11 2.10 -1.99 -2.19 116.57 118.26 2wgq h LYS 133 Ca -0.50 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.11 2wgq h LYS 133 Cb 1.27 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2wgq h LYS 133 CO 0.60 0.02 0.06 1.49 -2.00 0.00 0.00 179.45 179.62 2wgq h GLU 134 N 0.04 0.57 -0.56 0.07 4.81 -2.00 0.87 114.58 118.38 2wgq h GLU 134 Ca 0.19 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2wgq h GLU 134 Cb 0.71 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 2wgq h GLU 134 CO -0.01 0.64 0.15 0.00 -0.73 0.00 0.00 179.01 179.06 2wgq h ALA 135 N 0.90 1.21 -0.65 2.92 0.00 -1.78 -1.36 119.26 120.50 2wgq h ALA 135 Ca 0.11 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2wgq h ALA 135 Cb 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2wgq h ALA 135 CO 0.01 0.55 0.08 0.28 0.00 0.00 0.00 179.25 180.17 2wgq h VAL 136 N 0.83 1.26 0.12 0.00 2.07 -1.00 -0.97 116.25 118.57 2wgq h VAL 136 Ca 0.18 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2wgq h VAL 136 Cb 0.28 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2wgq h VAL 136 CO -0.00 0.40 -0.06 -0.50 0.02 0.00 0.00 177.57 177.43 2wgq h TRP 137 N 1.02 -0.15 -1.01 1.57 -0.00 -0.54 -1.82 115.95 115.02 2wgq h TRP 137 Ca 0.20 -0.00 0.25 0.00 -0.00 0.00 0.00 58.89 59.33 2wgq h TRP 137 Cb 0.47 0.05 -0.12 0.00 -0.00 0.00 0.00 29.16 29.56 2wgq h TRP 137 CO 0.03 0.21 0.61 0.00 -0.00 0.00 0.00 178.44 179.29 2wgq h ALA 138 N 0.27 1.85 0.37 1.49 0.00 -1.24 0.64 119.26 122.63 2wgq h ALA 138 Ca -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2wgq h ALA 138 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wgq h ALA 138 CO 0.03 -0.31 -0.18 0.35 0.00 0.00 0.00 179.25 179.14 2wgq h PHE 139 N 0.56 -0.46 -0.67 0.00 3.04 -1.01 0.40 116.94 118.81 2wgq h PHE 139 Ca 0.64 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.53 2wgq h PHE 139 Cb 1.26 0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.89 2wgq h PHE 139 CO -0.01 -0.24 0.25 0.00 -2.02 0.00 0.00 178.31 176.30 2wgq h ALA 140 N 0.03 0.87 0.03 2.41 0.00 0.20 -0.14 119.26 122.66 2wgq h ALA 140 Ca -0.05 -0.19 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 2wgq h ALA 140 Cb 0.43 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2wgq h ALA 140 CO 0.08 0.51 -1.87 1.28 0.00 0.00 0.00 179.25 179.25 2wgq n LEU 141 N -4.38 1.32 0.00 0.00 4.77 0.19 -4.52 117.00 114.39 2wgq n LEU 141 Ca 0.05 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2wgq n LEU 141 Cb 0.19 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2wgq n LEU 141 CO 0.40 0.54 0.22 -0.62 -1.33 0.00 0.00 177.39 176.59 2wgq n GLU 142 N -3.14 -0.28 -2.04 3.23 1.02 0.13 -4.99 120.64 114.57 2wgq n GLU 142 Ca -0.23 -0.44 -0.20 0.00 -0.02 0.00 0.00 57.16 56.27 2wgq n GLU 142 Cb 1.06 -0.94 -0.04 0.00 -0.02 0.00 0.00 31.44 31.50 2wgq n GLU 142 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2wgq n ASN 143 N -0.09 -5.58 -4.67 1.62 4.05 -0.07 -4.92 115.26 105.61 2wgq n ASN 143 Ca 0.00 0.22 -0.43 0.00 0.45 0.00 0.00 54.58 54.83 2wgq n ASN 143 Cb 0.01 -4.77 -0.02 0.00 1.23 0.00 0.00 39.78 36.22 2wgq n ASN 143 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 2wgq s LYS 144 N -4.45 4.28 0.58 1.20 2.47 -1.07 -4.92 119.74 117.83 2wgq s LYS 144 Ca 0.00 1.69 -0.20 0.00 -1.56 0.00 0.00 55.97 55.90 2wgq s LYS 144 Cb 0.00 -3.67 -0.04 0.00 -1.46 0.00 0.00 37.83 32.66 2wgq s LYS 144 CO 0.00 -0.60 1.33 -2.14 0.16 0.00 0.00 175.35 174.10 2wgq s PRO 145 N 2.93 2.95 -0.14 4.03 0.02 -1.26 -3.73 135.00 139.79 2wgq s PRO 145 Ca 0.56 2.16 -0.22 0.00 0.02 0.00 0.00 61.00 63.51 2wgq s PRO 145 Cb -0.24 -2.11 -0.03 0.00 0.02 0.00 0.00 34.50 32.15 2wgq s PRO 145 CO 0.18 -1.32 0.67 0.08 -0.33 0.00 0.00 177.00 176.29 2wgq s VAL 146 N -1.35 5.02 0.04 3.83 1.01 -1.26 -4.96 120.40 122.74 2wgq s VAL 146 Ca 0.75 1.32 -0.15 0.00 0.00 0.00 0.00 61.98 63.91 2wgq s VAL 146 Cb -0.39 -4.00 -0.32 0.00 0.00 0.00 0.00 36.38 31.67 2wgq s VAL 146 CO 0.44 0.16 1.06 0.44 0.00 0.00 0.00 175.10 177.20 2wgq h ASP 147 N 7.14 0.85 -3.08 3.32 5.19 -1.96 -3.46 116.42 124.41 2wgq h ASP 147 Ca -0.35 -0.85 -0.54 0.00 -0.62 0.00 0.00 57.03 54.67 2wgq h ASP 147 Cb 1.16 -0.27 0.08 0.00 0.18 0.00 0.00 39.33 40.48 2wgq h ASP 147 CO 0.78 1.65 0.87 0.00 -3.12 0.00 0.00 179.24 179.42 2wgq n GLN 148 N -3.75 2.63 -2.19 3.56 6.02 -1.26 -4.98 117.38 117.42 2wgq n GLN 148 Ca -0.15 0.94 -0.40 0.00 -0.01 0.00 0.00 57.00 57.38 2wgq n GLN 148 Cb 1.05 -2.72 -0.02 0.00 1.02 0.00 0.00 30.24 29.57 2wgq n GLN 148 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2wgq s PRO 149 N -0.20 4.17 -0.41 -1.09 0.04 -1.26 -4.95 135.00 131.31 2wgq s PRO 149 Ca 0.67 2.04 -0.40 0.00 0.04 0.00 0.00 61.00 63.35 2wgq s PRO 149 Cb -0.52 -2.87 -0.15 0.00 0.04 0.00 0.00 34.50 31.00 2wgq s PRO 149 CO 0.46 -0.28 2.10 0.54 0.04 0.00 0.00 177.00 179.85 2wgq n ARG 150 N 0.41 0.59 -4.00 4.56 5.12 -1.26 -4.88 116.66 117.20 2wgq n ARG 150 Ca 0.02 0.17 -0.23 0.00 -1.93 0.00 0.00 57.85 55.89 2wgq n ARG 150 Cb 0.44 -1.98 -0.06 0.00 -1.16 0.00 0.00 32.46 29.70 2wgq n ARG 150 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2wgq s LYS 151 N 5.70 2.46 -0.01 5.56 1.02 -1.26 -0.54 119.74 132.67 2wgq s LYS 151 Ca 1.13 -1.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.61 2wgq s LYS 151 Cb -1.18 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2wgq s LYS 151 CO 0.59 0.08 0.03 0.00 -0.92 0.00 0.00 175.35 175.14 2wgq s ALA 152 N -2.41 -0.07 -0.17 5.17 0.00 -0.15 -1.83 121.76 122.31 2wgq s ALA 152 Ca 0.39 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 2wgq s ALA 152 Cb -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2wgq s ALA 152 CO 0.24 -0.03 0.65 -0.51 0.00 0.00 0.00 175.76 176.12 2wgq s ASP 153 N -0.09 6.76 -0.19 0.00 -0.00 0.80 -1.52 116.67 122.43 2wgq s ASP 153 Ca -0.01 0.93 0.01 0.00 -0.00 0.00 0.00 52.55 53.48 2wgq s ASP 153 Cb -0.01 -2.37 0.03 0.00 -0.00 0.00 0.00 42.92 40.58 2wgq s ASP 153 CO 0.00 -0.24 -0.17 -0.69 -0.00 0.00 0.00 175.17 174.07 2wgq s VAL 154 N 1.67 1.98 -0.25 -1.27 1.01 0.98 -1.58 120.40 122.95 2wgq s VAL 154 Ca 0.31 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2wgq s VAL 154 Cb -0.16 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.34 2wgq s VAL 154 CO 0.12 0.39 -0.02 -0.63 0.00 0.00 0.00 175.10 174.96 2wgq s ILE 155 N 1.29 3.37 0.06 2.22 1.01 0.20 -0.62 121.20 128.73 2wgq s ILE 155 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2wgq s ILE 155 Cb -0.15 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2wgq s ILE 155 CO -0.11 0.26 0.11 -0.04 0.00 0.00 0.00 174.94 175.17 2wgq s MET 156 N 1.44 3.06 -0.34 2.79 -1.94 0.45 -0.36 119.30 124.38 2wgq s MET 156 Ca 0.03 -0.60 -0.01 0.00 -1.71 0.00 0.00 55.69 53.40 2wgq s MET 156 Cb -0.16 -2.83 0.08 0.00 2.01 0.00 0.00 34.83 33.93 2wgq s MET 156 CO -0.02 0.59 0.07 -1.17 -0.01 0.00 0.00 175.02 174.48 2wgq s LEU 157 N -2.34 4.44 -0.88 -0.03 2.96 0.11 -1.47 118.68 121.46 2wgq s LEU 157 Ca 0.30 -1.62 -0.18 0.00 -0.22 0.00 0.00 54.13 52.41 2wgq s LEU 157 Cb -0.12 -1.74 0.14 0.00 0.50 0.00 0.00 46.19 44.97 2wgq s LEU 157 CO 0.23 -0.37 1.04 -0.62 -1.32 0.00 0.00 176.35 175.31 2wgq s ASP 158 N 1.40 6.61 0.83 3.68 -1.08 0.26 -0.87 116.67 127.50 2wgq s ASP 158 Ca 0.01 -2.07 0.00 0.00 -0.52 0.00 0.00 52.55 49.97 2wgq s ASP 158 Cb -0.21 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 2wgq s ASP 158 CO -0.03 -1.00 0.00 0.61 0.52 0.00 0.00 175.17 175.27 2wgq n GLY 159 N 5.22 0.95 0.18 2.66 0.00 -1.26 -0.45 105.19 112.48 2wgq n GLY 159 Ca 0.19 0.38 0.07 0.00 0.00 0.00 0.00 46.02 46.66 2wgq n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wgq n LYS 160 N 0.00 2.05 -3.20 1.61 2.85 -1.26 -5.00 118.16 115.21 2wgq n LYS 160 Ca 0.00 -0.41 -0.39 0.00 -1.05 0.00 0.00 58.31 56.47 2wgq n LYS 160 Cb 0.00 -1.20 -0.05 0.00 -0.65 0.00 0.00 35.03 33.13 2wgq n LYS 160 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2wgq s HIS 161 N -2.04 3.59 -0.02 5.58 0.09 0.40 -4.38 115.29 118.51 2wgq s HIS 161 Ca 0.09 1.11 -0.19 0.00 -0.00 0.00 0.00 55.06 56.07 2wgq s HIS 161 Cb 0.11 -2.65 -0.05 0.00 -0.00 0.00 0.00 32.58 30.00 2wgq s HIS 161 CO 0.47 0.21 0.52 0.42 -0.00 0.00 0.00 174.74 176.36 2wgq s ILE 162 N 0.37 4.99 -0.02 0.60 -1.09 -1.26 0.91 121.20 125.70 2wgq s ILE 162 Ca 0.31 1.08 0.04 0.00 -2.23 0.00 0.00 60.65 59.85 2wgq s ILE 162 Cb -0.17 -3.85 -0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2wgq s ILE 162 CO 0.15 0.44 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.55 2wgq s ILE 163 N -0.27 0.99 -0.45 2.92 1.01 -0.54 -1.79 121.20 123.06 2wgq s ILE 163 Ca 0.28 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 2wgq s ILE 163 Cb -0.17 -0.85 0.08 0.00 0.01 0.00 0.00 42.46 41.53 2wgq s ILE 163 CO 0.15 0.29 0.33 -1.61 0.00 0.00 0.00 174.94 174.10 2wgq s GLU 164 N -0.10 2.80 0.10 2.79 2.02 -0.31 -0.42 118.70 125.59 2wgq s GLU 164 Ca 0.01 -1.41 -0.03 0.00 0.02 0.00 0.00 54.97 53.57 2wgq s GLU 164 Cb -0.07 -3.97 -0.05 0.00 0.10 0.00 0.00 34.13 30.15 2wgq s GLU 164 CO 0.00 -0.99 0.30 0.00 0.02 0.00 0.00 175.26 174.59 2wgq s ALA 165 N 1.54 3.89 -0.11 5.21 0.00 0.21 -2.10 121.76 130.39 2wgq s ALA 165 Ca 0.04 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2wgq s ALA 165 Cb -0.24 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 20.89 2wgq s ALA 165 CO 0.04 0.74 -0.22 0.08 0.00 0.00 0.00 175.76 176.40 2wgq s VAL 166 N -1.57 1.95 0.13 0.00 1.01 -0.95 -0.01 120.40 120.95 2wgq s VAL 166 Ca 0.38 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2wgq s VAL 166 Cb -0.13 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2wgq s VAL 166 CO 0.25 0.53 -0.14 0.68 0.00 0.00 0.00 175.10 176.43 2wgq s VAL 167 N 0.55 3.06 -0.26 2.92 -7.23 -0.58 0.16 120.40 119.03 2wgq s VAL 167 Ca -0.14 -1.48 -0.08 0.00 -1.81 0.00 0.00 61.98 58.47 2wgq s VAL 167 Cb -0.17 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 2wgq s VAL 167 CO 0.05 0.05 0.08 -0.62 -0.31 0.00 0.00 175.10 174.35 2wgq s ASP 168 N -2.32 5.19 -0.10 4.85 -1.08 0.29 -0.97 116.67 122.53 2wgq s ASP 168 Ca 0.21 -0.28 0.05 0.00 -0.52 0.00 0.00 52.55 52.00 2wgq s ASP 168 Cb -0.10 -1.93 -0.24 0.00 -1.46 0.00 0.00 42.92 39.18 2wgq s ASP 168 CO 0.12 -0.07 0.46 0.18 0.52 0.00 0.00 175.17 176.38 2wgq n LEU 169 N 4.93 1.65 0.02 -1.34 4.77 0.30 -1.29 117.00 126.03 2wgq n LEU 169 Ca -0.16 0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.95 2wgq n LEU 169 Cb 0.51 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 2wgq n LEU 169 CO 0.31 0.62 0.52 -0.61 -1.33 0.00 0.00 177.39 176.89 2wgq h GLN 170 N 0.03 -0.60 -0.01 3.23 4.15 -1.90 -3.02 115.11 116.99 2wgq h GLN 170 Ca -0.38 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.09 2wgq h GLN 170 Cb 2.03 0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.86 2wgq h GLN 170 CO 0.07 -0.40 -0.08 0.09 -1.93 0.00 0.00 178.83 176.59 2wgq n ASN 171 N -5.45 1.10 -3.69 -0.69 3.02 -1.25 -4.96 115.26 103.33 2wgq n ASN 171 Ca -0.07 -1.18 -0.28 0.00 -0.03 0.00 0.00 54.58 53.03 2wgq n ASN 171 Cb 0.39 0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.61 2wgq n ASN 171 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wgq n ASN 172 N -0.29 -4.02 -3.93 6.41 5.15 -0.41 -5.01 115.26 113.15 2wgq n ASN 172 Ca 0.17 -0.96 -0.10 0.00 -0.60 0.00 0.00 54.58 53.09 2wgq n ASN 172 Cb 0.32 -3.57 -0.10 0.00 -0.53 0.00 0.00 39.78 35.90 2wgq n ASN 172 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2wgq s LYS 173 N -5.95 0.48 -0.21 1.20 -2.85 -0.69 -5.01 119.74 106.72 2wgq s LYS 173 Ca 0.33 -0.64 -0.19 0.00 -1.00 0.00 0.00 55.97 54.48 2wgq s LYS 173 Cb -0.11 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 2wgq s LYS 173 CO 0.85 -0.11 0.55 -1.17 0.10 0.00 0.00 175.35 175.57 2wgq s LEU 174 N -1.77 4.13 -0.15 2.77 2.96 -1.26 -0.55 118.68 124.81 2wgq s LEU 174 Ca -0.10 0.70 -0.11 0.00 -0.22 0.00 0.00 54.13 54.39 2wgq s LEU 174 Cb -0.05 -2.75 -0.24 0.00 0.50 0.00 0.00 46.19 43.65 2wgq s LEU 174 CO -0.02 -0.22 0.30 0.18 -1.32 0.00 0.00 176.35 175.27 2wgq n LEU 175 N 4.95 2.40 -4.07 -0.68 4.77 0.12 -4.94 117.00 119.54 2wgq n LEU 175 Ca -0.04 0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 2wgq n LEU 175 Cb 0.50 -1.07 -0.10 0.00 -2.33 0.00 0.00 43.42 40.42 2wgq n LEU 175 CO 0.42 0.68 -0.36 -0.44 -1.33 0.00 0.00 177.39 176.35 2wgq s SER 176 N -6.99 0.50 -0.51 -1.43 0.01 -1.04 -4.94 113.70 99.30 2wgq s SER 176 Ca -0.25 -0.89 0.07 0.00 1.31 0.00 0.00 55.95 56.19 2wgq s SER 176 Cb 0.07 0.17 0.19 0.00 0.21 0.00 0.00 66.02 66.65 2wgq s SER 176 CO 0.71 -0.52 0.72 0.86 0.41 0.00 0.00 173.24 175.42 2wgq s TRP 177 N -3.35 -1.63 -0.13 2.43 -0.11 -1.26 -2.25 118.94 112.64 2wgq s TRP 177 Ca 0.02 -0.48 -0.01 0.00 1.22 0.00 0.00 56.10 56.86 2wgq s TRP 177 Cb 0.04 0.32 -0.02 0.00 -1.50 0.00 0.00 33.47 32.31 2wgq s TRP 177 CO -0.08 -1.27 -0.12 1.14 -4.62 0.00 0.00 176.95 172.00 2wgq s GLN 178 N 0.97 3.41 0.61 5.86 -2.07 -0.89 -4.98 119.66 122.57 2wgq s GLN 178 Ca 0.29 -0.67 -0.19 0.00 -1.82 0.00 0.00 55.36 52.96 2wgq s GLN 178 Cb -0.00 -2.67 -0.03 0.00 -1.09 0.00 0.00 33.01 29.22 2wgq s GLN 178 CO -0.05 0.20 1.24 -2.30 -1.32 0.00 0.00 175.29 173.06 2wgq n PRO 179 N 3.57 1.25 -4.01 9.60 -0.02 -1.26 -1.16 135.00 142.96 2wgq n PRO 179 Ca -0.18 0.48 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 2wgq n PRO 179 Cb 0.53 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 2wgq n PRO 179 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wgq s ILE 180 N -1.38 2.10 0.28 4.25 -1.09 -0.74 -4.86 121.20 119.76 2wgq s ILE 180 Ca 0.78 -2.00 -0.29 0.00 -2.23 0.00 0.00 60.65 56.91 2wgq s ILE 180 Cb -0.40 -2.44 -0.10 0.00 -1.58 0.00 0.00 42.46 37.94 2wgq s ILE 180 CO 0.44 -0.40 1.35 -1.59 -1.23 0.00 0.00 174.94 173.52 2wgq s LYS 181 N 1.04 4.34 0.00 2.79 0.00 -1.26 -3.24 119.74 123.40 2wgq s LYS 181 Ca 0.04 2.21 0.00 0.00 0.00 0.00 0.00 55.97 58.22 2wgq s LYS 181 Cb -0.19 -3.11 0.00 0.00 0.00 0.00 0.00 37.83 34.53 2wgq s LYS 181 CO -0.08 -0.27 0.00 -0.25 0.00 0.00 0.00 175.35 174.74 2wgq n ASP 182 N 1.69 0.00 -4.73 0.03 8.00 -1.26 -4.98 116.55 115.30 2wgq n ASP 182 Ca 0.03 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.12 2wgq n ASP 182 Cb 0.41 -0.84 -0.04 0.00 -0.02 0.00 0.00 41.12 40.63 2wgq n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wgq s ALA 183 N -2.33 3.28 0.10 2.24 0.00 -1.20 -5.00 121.76 118.85 2wgq s ALA 183 Ca 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 2wgq s ALA 183 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2wgq s ALA 183 CO 0.00 -0.09 0.31 -1.01 0.00 0.00 0.00 175.76 174.97 2wgq s HIS 184 N 0.00 3.50 0.57 0.00 3.76 -1.26 -4.40 115.29 117.46 2wgq s HIS 184 Ca 0.48 0.47 -0.15 0.00 -0.15 0.00 0.00 55.06 55.71 2wgq s HIS 184 Cb -0.25 -1.93 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 2wgq s HIS 184 CO 0.31 0.51 1.02 0.20 -0.85 0.00 0.00 174.74 175.93 2wgq s GLY 185 N -2.35 2.02 1.09 -2.22 0.00 -1.26 -4.67 107.32 99.94 2wgq s GLY 185 Ca 0.37 0.22 -0.12 0.00 0.00 0.00 0.00 44.72 45.19 2wgq s GLY 185 CO 0.24 0.51 1.05 -3.16 0.00 0.00 0.00 173.10 171.75 2wgq s MET 186 N -4.25 -0.35 0.24 2.90 0.23 -1.26 -4.88 119.30 111.93 2wgq s MET 186 Ca 0.60 0.78 -0.30 0.00 -1.03 0.00 0.00 55.69 55.75 2wgq s MET 186 Cb -0.12 -1.62 -0.09 0.00 -1.53 0.00 0.00 34.83 31.46 2wgq s MET 186 CO 0.37 -3.33 1.19 0.08 -2.03 0.00 0.00 175.02 171.30 2wgq s VAL 187 N -2.64 3.37 0.35 5.16 1.01 -0.01 -5.03 120.40 122.61 2wgq s VAL 187 Ca 0.67 1.26 0.09 0.00 0.00 0.00 0.00 61.98 64.00 2wgq s VAL 187 Cb -0.23 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 2wgq s VAL 187 CO 0.62 0.25 -0.06 -0.76 0.00 0.00 0.00 175.10 175.15 2wgq s LEU 188 N -0.92 2.79 0.21 3.92 1.43 -1.26 -4.62 118.68 120.23 2wgq s LEU 188 Ca 0.49 -1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 52.30 2wgq s LEU 188 Cb -0.34 -1.04 0.18 0.00 0.03 0.00 0.00 46.19 45.02 2wgq s LEU 188 CO 0.41 -0.25 1.86 0.25 0.23 0.00 0.00 176.35 178.85 2wgq h LEU 189 N 1.95 0.77 -1.80 1.79 7.12 -1.96 -0.33 115.31 122.84 2wgq h LEU 189 Ca -0.42 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.55 2wgq h LEU 189 Cb 1.25 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 41.20 2wgq h LEU 189 CO 0.72 0.54 -0.15 -2.24 -0.13 0.00 0.00 178.44 177.17 2wgq h ASP 190 N 0.91 0.00 -0.84 1.25 2.03 -2.00 -2.65 116.42 115.12 2wgq h ASP 190 Ca 0.28 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 56.61 2wgq h ASP 190 Cb -0.02 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.43 2wgq h ASP 190 CO -0.09 0.15 0.55 0.44 -1.03 0.00 0.00 179.24 179.26 2wgq h ASP 191 N 0.00 0.92 -0.61 4.15 3.32 -1.46 0.94 116.42 123.68 2wgq h ASP 191 Ca -0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2wgq h ASP 191 Cb 0.37 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2wgq h ASP 191 CO 0.02 0.64 0.36 -0.26 -1.72 0.00 0.00 179.24 178.28 2wgq h PHE 192 N 1.07 0.82 -0.43 4.55 -1.00 -1.51 -2.13 116.94 118.32 2wgq h PHE 192 Ca 0.33 -0.01 -0.08 0.00 2.81 0.00 0.00 57.97 61.01 2wgq h PHE 192 Cb -0.02 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.26 2wgq h PHE 192 CO -0.00 0.57 -0.06 0.00 -1.61 0.00 0.00 178.31 177.21 2wgq h ALA 193 N 1.18 0.59 -0.29 2.45 0.00 -1.14 -2.51 119.26 119.53 2wgq h ALA 193 Ca 0.22 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2wgq h ALA 193 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2wgq h ALA 193 CO -0.04 0.43 -0.32 0.77 0.00 0.00 0.00 179.25 180.09 2wgq h SER 194 N 0.63 0.65 -0.24 0.00 0.02 -0.66 -2.28 113.55 111.68 2wgq h SER 194 Ca 0.11 -0.26 -0.12 0.00 -0.84 0.00 0.00 61.79 60.68 2wgq h SER 194 Cb 0.58 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2wgq h SER 194 CO 0.03 0.93 -0.27 0.58 -1.14 0.00 0.00 176.83 176.96 2wgq h VAL 195 N 0.53 1.28 -0.53 2.27 2.07 -1.29 0.12 116.25 120.70 2wgq h VAL 195 Ca 0.06 -1.39 -0.11 0.00 0.82 0.00 0.00 66.70 66.07 2wgq h VAL 195 Cb 0.82 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2wgq h VAL 195 CO 0.07 0.46 -0.12 -0.61 0.02 0.00 0.00 177.57 177.39 2wgq h GLN 196 N 0.63 1.01 0.10 1.57 5.75 -0.98 -2.66 115.11 120.54 2wgq h GLN 196 Ca 0.08 -0.38 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 2wgq h GLN 196 Cb 0.78 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.27 2wgq h GLN 196 CO 0.06 1.07 -0.05 -0.91 -2.65 0.00 0.00 178.83 176.35 2wgq h ASN 197 N 0.88 -0.12 -0.97 -0.69 -0.26 -1.22 0.27 115.58 113.48 2wgq h ASN 197 Ca 0.14 -0.35 0.13 0.00 -0.56 0.00 0.00 56.30 55.66 2wgq h ASN 197 Cb 0.69 0.03 -0.09 0.00 -1.06 0.00 0.00 38.32 37.89 2wgq h ASN 197 CO 0.05 0.31 0.59 0.40 -1.06 0.00 0.00 177.43 177.72 2wgq h ILE 198 N -0.57 0.86 -0.38 2.81 2.04 -0.81 0.79 117.51 122.25 2wgq h ILE 198 Ca -0.01 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 65.38 2wgq h ILE 198 Cb 0.46 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2wgq h ILE 198 CO 0.02 0.16 -0.39 0.40 0.00 0.00 0.00 178.15 178.35 2wgq h ILE 199 N 0.90 1.27 0.00 -0.67 5.03 -1.46 -2.35 117.51 120.23 2wgq h ILE 199 Ca 0.50 -1.56 -0.05 0.00 -0.12 0.00 0.00 64.86 63.62 2wgq h ILE 199 Cb 0.56 1.38 -0.01 0.00 -3.03 0.00 0.00 36.82 35.73 2wgq h ILE 199 CO -0.29 0.52 -0.23 0.78 -0.68 0.00 0.00 178.15 178.25 2wgq h ASN 200 N 0.76 0.00 -0.19 1.72 -0.26 0.20 -2.49 115.58 115.32 2wgq h ASN 200 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2wgq h ASN 200 Cb 0.98 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.24 2wgq h ASN 200 CO 0.10 0.23 0.00 0.59 -1.06 0.00 0.00 177.43 177.29 2wgq n ASN 201 N -3.74 2.32 -4.56 5.81 4.13 0.23 -4.86 115.26 114.59 2wgq n ASN 201 Ca -0.01 -1.80 -0.43 0.00 1.68 0.00 0.00 54.58 54.02 2wgq n ASN 201 Cb 0.34 -0.12 -0.04 0.00 -1.54 0.00 0.00 39.78 38.42 2wgq n ASN 201 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2wgq s SER 202 N -1.65 6.47 0.20 6.41 0.15 -0.90 -4.90 113.70 119.47 2wgq s SER 202 Ca 0.34 0.04 -0.11 0.00 0.70 0.00 0.00 55.95 56.92 2wgq s SER 202 Cb 0.20 -2.44 0.17 0.00 -1.71 0.00 0.00 66.02 62.24 2wgq s SER 202 CO 0.29 -1.04 1.82 1.05 1.20 0.00 0.00 173.24 176.57 2wgq h GLU 203 N 9.08 0.68 0.91 5.44 9.09 -1.89 -1.32 114.58 136.57 2wgq h GLU 203 Ca -0.24 -0.04 -0.04 0.00 0.05 0.00 0.00 59.36 59.08 2wgq h GLU 203 Cb 1.08 -0.15 0.01 0.00 -1.65 0.00 0.00 28.75 28.03 2wgq h GLU 203 CO 1.02 0.45 -0.44 0.93 0.05 0.00 0.00 179.01 181.02 2wgq h GLU 204 N 0.70 -1.18 -0.80 1.06 5.08 -1.97 -3.06 114.58 114.41 2wgq h GLU 204 Ca 0.26 0.08 0.14 0.00 -1.00 0.00 0.00 59.36 58.83 2wgq h GLU 204 Cb 0.07 0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 2wgq h GLU 204 CO -0.13 -0.79 0.53 0.35 -1.00 0.00 0.00 179.01 177.97 2wgq h PHE 205 N -1.33 0.65 -0.80 4.33 3.04 -1.87 0.46 116.94 121.42 2wgq h PHE 205 Ca -0.13 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.80 2wgq h PHE 205 Cb 0.94 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 39.21 2wgq h PHE 205 CO -0.00 0.26 0.32 0.00 -2.02 0.00 0.00 178.31 176.87 2wgq h ALA 206 N 1.62 1.05 -0.32 2.41 0.00 -1.27 0.17 119.26 122.92 2wgq h ALA 206 Ca 0.39 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2wgq h ALA 206 Cb 0.73 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2wgq h ALA 206 CO -0.15 0.67 -0.14 0.00 0.00 0.00 0.00 179.25 179.64 2wgq h ALA 207 N 1.17 0.45 -0.40 0.00 0.00 -0.74 0.27 119.26 120.02 2wgq h ALA 207 Ca 0.27 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2wgq h ALA 207 Cb 0.22 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2wgq h ALA 207 CO -0.02 0.34 0.03 0.00 0.00 0.00 0.00 179.25 179.60 2wgq h ALA 208 N 0.78 0.39 -0.42 0.00 0.00 0.10 -1.96 119.26 118.15 2wgq h ALA 208 Ca 0.07 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2wgq h ALA 208 Cb 0.66 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2wgq h ALA 208 CO 0.04 -0.37 0.08 0.28 0.00 0.00 0.00 179.25 179.28 2wgq h VAL 209 N 0.14 1.20 -0.65 0.00 2.07 -0.57 -3.14 116.25 115.30 2wgq h VAL 209 Ca 0.19 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 2wgq h VAL 209 Cb 0.26 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2wgq h VAL 209 CO -0.30 0.26 0.09 0.50 0.02 0.00 0.00 177.57 178.15 2wgq h LYS 210 N 0.62 1.09 0.00 1.57 1.63 0.30 -3.00 116.57 118.78 2wgq h LYS 210 Ca 0.14 -0.30 -0.14 0.00 -0.85 0.00 0.00 60.65 59.50 2wgq h LYS 210 Cb 0.27 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 2wgq h LYS 210 CO 0.00 1.01 -0.66 1.57 -3.45 0.00 0.00 179.45 177.93 2wgq h LYS 211 N 1.01 0.00 -1.31 1.90 2.10 -1.41 -2.92 116.57 115.95 2wgq h LYS 211 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2wgq h LYS 211 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2wgq h LYS 211 CO 0.02 0.66 0.00 0.54 -2.00 0.00 0.00 179.45 178.66 2wgq n ARG 212 N -3.70 0.86 -0.98 0.07 1.74 -1.14 -4.77 116.66 108.72 2wgq n ARG 212 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2wgq n ARG 212 Cb 0.66 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 2wgq n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wgq n GLY 213 N 0.76 0.55 0.00 -0.13 0.00 -1.10 -4.64 105.19 100.63 2wgq n GLY 213 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wgq n GLY 213 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wgq n ILE 214 N -2.65 0.00 -0.67 -0.61 -0.00 -1.18 -5.05 119.36 109.21 2wgq n ILE 214 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 62.75 63.59 2wgq n ILE 214 Cb 0.05 -1.63 0.00 0.00 -0.00 0.00 0.00 39.64 38.05 2wgq n ILE 214 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 2wgq n THR 215 N -1.27 -2.50 0.00 1.39 -1.04 -1.26 -4.97 114.28 104.64 2wgq n THR 215 Ca 0.00 0.93 0.00 0.00 -2.04 0.00 0.00 64.05 62.94 2wgq n THR 215 Cb 0.00 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 2wgq n THR 215 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2wgq n ASP 216 N -1.16 0.00 0.00 8.00 4.64 -1.26 -4.92 116.55 121.85 2wgq n ASP 216 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2wgq n ASP 216 Cb 0.04 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.12 2wgq n ASP 216 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wgq n ALA 217 N 9.56 0.00 0.20 -1.67 0.00 -1.26 -4.85 120.51 122.50 2wgq n ALA 217 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2wgq n ALA 217 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.02 2wgq n ALA 217 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wgq h LYS 218 N 0.00 0.00 -0.11 0.00 1.57 -1.98 0.62 116.57 116.67 2wgq h LYS 218 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wgq h LYS 218 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wgq h LYS 218 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 2wgq n LYS 219 N -3.04 1.85 -2.92 3.15 5.02 -1.26 -4.87 118.16 116.09 2wgq n LYS 219 Ca 0.04 -1.26 -0.41 0.00 -2.02 0.00 0.00 58.31 54.66 2wgq n LYS 219 Cb 0.73 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 34.25 2wgq n LYS 219 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wgq s VAL 220 N -1.87 4.89 -0.21 -0.18 1.01 0.21 -1.14 120.40 123.11 2wgq s VAL 220 Ca 0.35 1.57 -0.11 0.00 0.00 0.00 0.00 61.98 63.79 2wgq s VAL 220 Cb 0.20 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2wgq s VAL 220 CO 0.30 0.01 0.17 -0.63 0.00 0.00 0.00 175.10 174.95 2wgq s ILE 221 N 2.27 5.37 0.19 2.22 1.09 0.00 -4.98 121.20 127.37 2wgq s ILE 221 Ca 0.36 0.25 0.05 0.00 -1.10 0.00 0.00 60.65 60.21 2wgq s ILE 221 Cb -0.16 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 2wgq s ILE 221 CO 0.11 0.40 0.22 0.42 -0.10 0.00 0.00 174.94 175.98 2wgq s THR 222 N 0.64 4.79 -0.02 2.92 -4.23 -1.26 -1.19 115.64 117.29 2wgq s THR 222 Ca 0.09 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 2wgq s THR 222 Cb -0.12 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.22 2wgq s THR 222 CO 0.01 -0.19 -0.04 0.28 -0.54 0.00 0.00 174.62 174.14 2wgq s THR 223 N -1.87 0.39 0.09 3.99 -1.32 -0.49 -4.96 115.64 111.46 2wgq s THR 223 Ca 0.33 -0.13 -0.22 0.00 -1.21 0.00 0.00 61.69 60.45 2wgq s THR 223 Cb -0.10 -0.38 -0.07 0.00 -1.51 0.00 0.00 72.50 70.45 2wgq s THR 223 CO 0.26 0.15 0.68 -2.16 -2.21 0.00 0.00 174.62 171.33 2wgq s PRO 224 N 0.36 4.39 0.01 7.08 0.05 -1.26 -2.75 135.00 142.88 2wgq s PRO 224 Ca -0.04 0.94 0.02 0.00 0.05 0.00 0.00 61.00 61.96 2wgq s PRO 224 Cb -0.08 -3.28 -0.01 0.00 0.05 0.00 0.00 34.50 31.18 2wgq s PRO 224 CO -0.00 0.51 -0.06 -0.51 0.05 0.00 0.00 177.00 176.99 2wgq s LEU 225 N -0.80 2.09 0.80 -3.56 1.43 -0.78 -5.01 118.68 112.85 2wgq s LEU 225 Ca 0.33 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 2wgq s LEU 225 Cb -0.21 -0.23 0.07 0.00 0.03 0.00 0.00 46.19 45.86 2wgq s LEU 225 CO 0.22 -0.02 1.10 0.42 0.23 0.00 0.00 176.35 178.30 2wgq s THR 226 N -0.53 2.94 -0.94 5.49 -4.23 -1.26 -1.45 115.64 115.66 2wgq s THR 226 Ca -0.02 0.30 0.16 0.00 -1.18 0.00 0.00 61.69 60.96 2wgq s THR 226 Cb -0.05 -3.08 -0.14 0.00 1.34 0.00 0.00 72.50 70.58 2wgq s THR 226 CO -0.00 -0.40 0.73 1.33 -0.54 0.00 0.00 174.62 175.74 2wgq n VAL 227 N -3.43 0.00 -4.77 2.29 0.24 -1.26 -4.69 118.33 106.70 2wgq n VAL 227 Ca 0.07 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2wgq n VAL 227 Cb 0.57 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 2wgq n VAL 227 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wgq n GLY 228 N 1.34 1.33 3.26 7.63 0.00 -1.26 -4.81 105.19 112.67 2wgq n GLY 228 Ca 0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 2wgq n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wgq s TYR 229 N 0.00 -0.58 -0.04 1.61 5.04 -1.26 -4.21 117.35 117.90 2wgq s TYR 229 Ca 0.00 1.25 0.21 0.00 -2.44 0.00 0.00 57.07 56.09 2wgq s TYR 229 Cb 0.00 0.25 0.40 0.00 0.35 0.00 0.00 41.96 42.96 2wgq s TYR 229 CO 0.00 -0.33 1.17 1.19 -1.34 0.00 0.00 175.55 176.24 2wgq n PHE 230 N 4.22 0.00 -3.93 4.97 3.01 -1.26 -4.67 117.46 119.80 2wgq n PHE 230 Ca -0.23 -0.67 -0.25 0.00 1.01 0.00 0.00 57.45 57.31 2wgq n PHE 230 Cb 0.55 -0.16 -0.02 0.00 -0.01 0.00 0.00 39.48 39.84 2wgq n PHE 230 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2wgq n ASP 231 N 0.12 -0.51 0.00 4.37 2.03 -1.26 -0.31 116.55 121.00 2wgq n ASP 231 Ca 0.08 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.39 2wgq n ASP 231 Cb 1.02 -3.11 0.00 0.00 -0.72 0.00 0.00 41.12 38.31 2wgq n ASP 231 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wgq n GLY 232 N -1.95 2.00 0.36 0.27 0.00 -1.26 -4.81 105.19 99.80 2wgq n GLY 232 Ca -0.30 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.85 2wgq n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wgq h LYS 233 N 0.70 0.00 -0.00 1.61 1.57 -1.06 0.98 116.57 120.37 2wgq h LYS 233 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wgq h LYS 233 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wgq h LYS 233 CO 0.00 0.00 -0.30 -0.40 -0.57 0.00 0.00 179.45 178.18 2wgq n ASP 234 N -2.98 0.62 -1.29 0.86 5.75 -1.26 -4.98 116.55 113.28 2wgq n ASP 234 Ca 0.02 -0.45 -0.06 0.00 -0.01 0.00 0.00 54.79 54.29 2wgq n ASP 234 Cb 0.65 0.09 0.02 0.00 -1.03 0.00 0.00 41.12 40.84 2wgq n ASP 234 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wgq n GLY 235 N 1.41 0.57 2.90 6.12 0.00 0.34 -5.04 105.19 111.48 2wgq n GLY 235 Ca 0.09 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2wgq n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wgq s LEU 236 N -2.60 1.22 0.23 0.99 1.43 -1.26 -5.10 118.68 113.59 2wgq s LEU 236 Ca 0.14 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 2wgq s LEU 236 Cb -0.06 -0.62 -0.10 0.00 0.03 0.00 0.00 46.19 45.45 2wgq s LEU 236 CO 0.18 -0.08 1.42 -0.54 0.23 0.00 0.00 176.35 177.56 2wgq s LYS 237 N 1.24 4.29 0.57 1.70 1.02 -1.26 -4.73 119.74 122.57 2wgq s LYS 237 Ca -0.05 2.25 0.34 0.00 0.02 0.00 0.00 55.97 58.53 2wgq s LYS 237 Cb -0.14 -3.13 1.68 0.00 -0.52 0.00 0.00 37.83 35.72 2wgq s LYS 237 CO -0.02 -0.39 2.12 0.37 -0.92 0.00 0.00 175.35 176.51 2wgq h GLN 238 N 5.19 0.00 -0.11 1.68 5.75 -2.01 -3.14 115.11 122.46 2wgq h GLN 238 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2wgq h GLN 238 Cb 1.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.77 2wgq h GLN 238 CO 0.78 0.05 0.00 -0.40 -2.65 0.00 0.00 178.83 176.62 2wgq n ASP 239 N -3.32 2.09 -4.83 -0.69 3.85 -1.26 -4.96 116.55 107.44 2wgq n ASP 239 Ca -0.01 -1.61 -0.33 0.00 -0.71 0.00 0.00 54.79 52.13 2wgq n ASP 239 Cb 0.22 -0.07 -0.06 0.00 -1.35 0.00 0.00 41.12 39.85 2wgq n ASP 239 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wgq s ALA 240 N -0.81 3.09 -0.46 2.12 0.00 -1.19 -5.04 121.76 119.47 2wgq s ALA 240 Ca 0.13 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.19 2wgq s ALA 240 Cb 0.08 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 20.14 2wgq s ALA 240 CO 0.11 0.11 0.68 0.50 0.00 0.00 0.00 175.76 177.15 2wgq s ARG 241 N -3.29 3.27 0.14 0.00 3.52 -1.26 -4.98 118.95 116.36 2wgq s ARG 241 Ca 0.60 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.86 2wgq s ARG 241 Cb -0.09 -3.98 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 2wgq s ARG 241 CO 0.16 -1.09 -0.15 -0.51 -0.81 0.00 0.00 175.30 172.91 2wgq s LEU 242 N 2.92 2.43 -0.04 -0.88 1.43 -1.26 -2.20 118.68 121.08 2wgq s LEU 242 Ca 0.23 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.43 2wgq s LEU 242 Cb -0.14 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.44 2wgq s LEU 242 CO 0.18 -0.12 0.12 -0.76 0.23 0.00 0.00 176.35 176.00 2wgq s LEU 243 N -2.63 1.57 0.41 1.79 1.43 -0.83 -4.59 118.68 115.83 2wgq s LEU 243 Ca 0.13 0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.31 2wgq s LEU 243 Cb -0.04 0.43 -0.05 0.00 0.03 0.00 0.00 46.19 46.55 2wgq s LEU 243 CO 0.04 -0.09 0.74 -0.54 0.23 0.00 0.00 176.35 176.73 2wgq s LYS 244 N -0.15 3.69 -0.16 1.70 1.02 -0.53 -0.47 119.74 124.84 2wgq s LYS 244 Ca -0.02 0.31 -0.02 0.00 0.02 0.00 0.00 55.97 56.26 2wgq s LYS 244 Cb -0.02 -2.43 0.05 0.00 -0.52 0.00 0.00 37.83 34.91 2wgq s LYS 244 CO 0.00 -0.04 0.01 0.08 -0.92 0.00 0.00 175.35 174.48 2wgq s VAL 245 N -2.42 0.64 -0.08 3.17 1.01 0.12 -1.87 120.40 120.98 2wgq s VAL 245 Ca 0.49 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 2wgq s VAL 245 Cb -0.10 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2wgq s VAL 245 CO 0.35 -0.02 0.22 -0.63 0.00 0.00 0.00 175.10 175.02 2wgq s ILE 246 N 1.82 5.36 0.07 2.22 -1.09 -1.11 -2.05 121.20 126.42 2wgq s ILE 246 Ca 0.01 0.38 0.08 0.00 -2.23 0.00 0.00 60.65 58.88 2wgq s ILE 246 Cb -0.16 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 2wgq s ILE 246 CO -0.07 0.58 -0.21 -0.44 -1.23 0.00 0.00 174.94 173.58 2wgq s SER 247 N -1.11 2.50 0.18 3.58 0.01 -1.26 -1.40 113.70 116.20 2wgq s SER 247 Ca 0.19 -0.59 0.07 0.00 1.31 0.00 0.00 55.95 56.92 2wgq s SER 247 Cb -0.13 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 2wgq s SER 247 CO 0.08 0.12 -0.13 -0.31 0.41 0.00 0.00 173.24 173.41 2wgq s TYR 248 N -0.95 1.55 0.04 2.43 2.02 -0.33 -1.12 117.35 120.98 2wgq s TYR 248 Ca 0.07 -0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 56.02 2wgq s TYR 248 Cb -0.09 -0.74 -0.06 0.00 -0.40 0.00 0.00 41.96 40.67 2wgq s TYR 248 CO 0.03 0.26 0.38 -1.17 -1.57 0.00 0.00 175.55 173.48 2wgq s LEU 249 N -3.25 4.39 -0.31 -1.29 2.96 -0.23 -0.82 118.68 120.13 2wgq s LEU 249 Ca 0.20 0.82 -0.13 0.00 -0.22 0.00 0.00 54.13 54.80 2wgq s LEU 249 Cb 0.00 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 2wgq s LEU 249 CO 0.05 0.24 0.25 -0.62 -1.32 0.00 0.00 176.35 174.95 2wgq s ASP 250 N -1.49 6.08 0.00 3.68 2.15 -0.29 -4.54 116.67 122.26 2wgq s ASP 250 Ca 0.29 -0.18 0.11 0.00 0.43 0.00 0.00 52.55 53.19 2wgq s ASP 250 Cb -0.15 -2.15 0.09 0.00 -0.30 0.00 0.00 42.92 40.41 2wgq s ASP 250 CO 0.16 -0.18 0.84 0.52 -0.17 0.00 0.00 175.17 176.34 2wgq n VAL 251 N 5.11 0.00 -0.72 1.11 0.31 -1.26 -4.93 118.33 117.95 2wgq n VAL 251 Ca -0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 2wgq n VAL 251 Cb 0.51 1.22 0.00 0.00 -0.91 0.00 0.00 33.84 34.66 2wgq n VAL 251 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wgq n GLY 252 N 0.61 0.58 0.92 2.92 0.00 -1.26 -4.93 105.19 104.03 2wgq n GLY 252 Ca 0.06 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.70 2wgq n GLY 252 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wgq n ASP 253 N 0.91 2.80 0.00 1.61 5.75 -1.26 -4.92 116.55 121.44 2wgq n ASP 253 Ca 0.00 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2wgq n ASP 253 Cb 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 2wgq n ASP 253 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wgq n GLY 254 N 1.36 0.41 2.36 6.12 0.00 -1.26 -4.17 105.19 110.01 2wgq n GLY 254 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2wgq n GLY 254 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wgq n ASN 255 N -0.22 1.67 -0.22 1.61 5.15 -1.26 -4.90 115.26 117.08 2wgq n ASN 255 Ca 0.00 -3.14 0.31 0.00 -0.60 0.00 0.00 54.58 51.14 2wgq n ASN 255 Cb 0.11 -0.61 0.73 0.00 -0.53 0.00 0.00 39.78 39.48 2wgq n ASN 255 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2wgq h TYR 256 N 3.13 0.00 -0.01 1.20 -0.00 -1.92 0.21 116.97 119.58 2wgq h TYR 256 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.84 2wgq h TYR 256 Cb 0.85 -0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.58 2wgq h TYR 256 CO 0.54 0.00 0.41 -1.49 -0.00 0.00 0.00 178.16 177.62 2wgq h TRP 257 N 0.00 0.00 -0.20 0.10 4.06 -1.92 -0.05 115.95 117.94 2wgq h TRP 257 Ca 0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.42 2wgq h TRP 257 Cb 1.87 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.03 2wgq h TRP 257 CO -0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2wgq n ALA 258 N -1.85 2.50 -3.10 1.49 0.00 0.72 -4.34 120.51 115.93 2wgq n ALA 258 Ca -0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 53.44 52.77 2wgq n ALA 258 Cb 0.45 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 2wgq n ALA 258 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wgq n HIS 259 N 0.21 -0.62 -2.17 0.00 8.25 -0.03 -4.79 115.22 116.07 2wgq n HIS 259 Ca 0.13 -3.38 -0.39 0.00 -0.26 0.00 0.00 57.72 53.82 2wgq n HIS 259 Cb 0.26 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 2wgq n HIS 259 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wgq s PRO 260 N -1.49 3.99 -0.59 -0.41 0.04 -1.26 -1.07 135.00 134.21 2wgq s PRO 260 Ca 0.36 2.00 -0.19 0.00 0.04 0.00 0.00 61.00 63.21 2wgq s PRO 260 Cb 0.28 -2.71 0.10 0.00 0.04 0.00 0.00 34.50 32.22 2wgq s PRO 260 CO -0.10 -0.42 0.70 0.42 0.04 0.00 0.00 177.00 177.64 2wgq s ILE 261 N -1.34 4.83 0.26 0.56 1.01 -0.28 -4.48 121.20 121.77 2wgq s ILE 261 Ca 0.57 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 2wgq s ILE 261 Cb -0.34 -4.48 -0.08 0.00 0.01 0.00 0.00 42.46 37.56 2wgq s ILE 261 CO 0.44 -1.11 0.70 -0.70 0.00 0.00 0.00 174.94 174.27 2wgq s GLU 262 N 2.67 4.07 -0.99 2.79 2.56 -1.26 -3.80 118.70 124.75 2wgq s GLU 262 Ca 0.11 0.69 -0.02 0.00 0.00 0.00 0.00 54.97 55.75 2wgq s GLU 262 Cb -0.24 -2.65 0.00 0.00 2.00 0.00 0.00 34.13 33.24 2wgq s GLU 262 CO 0.06 0.28 0.30 0.09 -0.56 0.00 0.00 175.26 175.44 2wgq n ASN 263 N 0.14 -4.30 -3.79 -1.70 5.03 -1.26 -4.47 115.26 104.91 2wgq n ASN 263 Ca 0.00 -0.15 -0.23 0.00 0.87 0.00 0.00 54.58 55.08 2wgq n ASN 263 Cb 0.52 -3.24 -0.17 0.00 -1.02 0.00 0.00 39.78 35.87 2wgq n ASN 263 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2wgq s LEU 264 N -4.18 0.70 -0.00 3.41 2.96 -1.25 -0.99 118.68 119.33 2wgq s LEU 264 Ca 0.15 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2wgq s LEU 264 Cb -0.07 -0.48 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 2wgq s LEU 264 CO 0.19 -0.18 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.25 2wgq s VAL 265 N 1.88 0.75 -0.03 1.68 1.01 -0.96 -4.34 120.40 120.38 2wgq s VAL 265 Ca 0.04 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2wgq s VAL 265 Cb -0.12 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 2wgq s VAL 265 CO -0.05 0.16 -0.17 0.00 0.00 0.00 0.00 175.10 175.04 2wgq s ALA 266 N -0.32 1.49 -0.21 5.51 0.00 -0.87 -1.34 121.76 126.03 2wgq s ALA 266 Ca 0.03 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 2wgq s ALA 266 Cb -0.04 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2wgq s ALA 266 CO -0.00 0.32 0.17 0.08 0.00 0.00 0.00 175.76 176.33 2wgq s VAL 267 N -0.22 5.37 -0.06 0.00 1.01 0.19 0.16 120.40 126.86 2wgq s VAL 267 Ca 0.02 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.29 2wgq s VAL 267 Cb -0.09 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2wgq s VAL 267 CO 0.01 0.39 -0.21 -0.69 0.00 0.00 0.00 175.10 174.60 2wgq s VAL 268 N 0.67 2.46 -0.30 2.92 1.01 0.37 -1.07 120.40 126.45 2wgq s VAL 268 Ca 0.09 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 2wgq s VAL 268 Cb -0.12 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2wgq s VAL 268 CO 0.01 0.57 0.46 -0.62 0.00 0.00 0.00 175.10 175.52 2wgq s ASP 269 N -0.25 6.31 0.17 3.32 -1.08 -0.53 -1.97 116.67 122.64 2wgq s ASP 269 Ca -0.00 0.18 -0.01 0.00 -0.52 0.00 0.00 52.55 52.20 2wgq s ASP 269 Cb -0.13 -2.25 0.04 0.00 -1.46 0.00 0.00 42.92 39.12 2wgq s ASP 269 CO 0.03 -0.33 1.41 -0.07 0.52 0.00 0.00 175.17 176.73 2wgq h LEU 270 N 8.84 0.43 0.67 -1.34 3.38 -1.75 0.35 115.31 125.89 2wgq h LEU 270 Ca -0.29 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.34 2wgq h LEU 270 Cb 1.14 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.77 2wgq h LEU 270 CO 0.71 1.05 -0.32 -0.33 0.09 0.00 0.00 178.44 179.64 2wgq h GLU 271 N 0.23 -0.87 -0.24 1.13 4.39 -1.94 -2.63 114.58 114.65 2wgq h GLU 271 Ca -0.04 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.79 2wgq h GLU 271 Cb 1.37 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.21 2wgq h GLU 271 CO 0.13 -0.55 0.19 1.96 -1.16 0.00 0.00 179.01 179.58 2wgq h GLN 272 N -1.14 0.00 -5.74 2.33 4.20 -1.93 -3.46 115.11 109.37 2wgq h GLN 272 Ca -0.09 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.27 2wgq h GLN 272 Cb 0.72 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.65 2wgq h GLN 272 CO 0.15 0.00 -0.80 1.63 -0.67 0.00 0.00 178.83 179.14 2wgq n LYS 273 N -4.31 -5.62 -3.60 1.46 5.02 0.12 -5.03 118.16 106.20 2wgq n LYS 273 Ca 0.03 0.79 -0.10 0.00 -2.02 0.00 0.00 58.31 57.01 2wgq n LYS 273 Cb 0.33 -5.67 -0.02 0.00 -0.02 0.00 0.00 35.03 29.66 2wgq n LYS 273 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wgq s LYS 274 N -5.41 1.44 -0.28 1.97 -2.85 -0.93 -4.94 119.74 108.75 2wgq s LYS 274 Ca 0.06 -0.66 -0.29 0.00 -1.00 0.00 0.00 55.97 54.08 2wgq s LYS 274 Cb -0.01 0.58 0.01 0.00 -2.06 0.00 0.00 37.83 36.35 2wgq s LYS 274 CO 0.75 -0.65 1.15 0.42 0.10 0.00 0.00 175.35 177.12 2wgq s ILE 275 N -3.76 4.42 -0.19 3.79 1.01 -1.26 -1.45 121.20 123.76 2wgq s ILE 275 Ca 0.05 1.66 0.19 0.00 0.00 0.00 0.00 60.65 62.55 2wgq s ILE 275 Cb -0.03 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2wgq s ILE 275 CO -0.05 -0.39 1.02 -0.37 0.00 0.00 0.00 174.94 175.15 2wgq h VAL 276 N 5.71 0.30 -2.13 2.92 -1.51 -1.46 -3.48 116.25 116.59 2wgq h VAL 276 Ca -0.22 -1.55 -0.06 0.00 -1.23 0.00 0.00 66.70 63.64 2wgq h VAL 276 Cb 1.07 1.85 -0.20 0.00 -2.13 0.00 0.00 31.29 31.88 2wgq h VAL 276 CO 1.02 0.17 0.11 -0.75 -1.23 0.00 0.00 177.57 176.89 2wgq s LYS 277 N -3.12 0.94 -0.16 5.19 2.20 -1.20 -4.99 119.74 118.59 2wgq s LYS 277 Ca -0.01 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.02 2wgq s LYS 277 Cb 0.09 0.45 0.04 0.00 -1.51 0.00 0.00 37.83 36.90 2wgq s LYS 277 CO 0.79 -0.24 -0.03 0.42 -0.36 0.00 0.00 175.35 175.93 2wgq s ILE 278 N -0.73 0.91 -0.09 5.43 1.01 -1.26 0.56 121.20 127.02 2wgq s ILE 278 Ca -0.08 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 2wgq s ILE 278 Cb -0.02 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2wgq s ILE 278 CO 0.07 0.06 0.49 -1.61 0.00 0.00 0.00 174.94 173.95 2wgq s GLU 279 N 1.71 4.31 -0.05 2.79 2.02 -0.45 -4.98 118.70 124.04 2wgq s GLU 279 Ca 0.01 0.49 0.04 0.00 0.02 0.00 0.00 54.97 55.53 2wgq s GLU 279 Cb -0.15 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.67 2wgq s GLU 279 CO -0.07 0.22 -0.16 -1.21 0.02 0.00 0.00 175.26 174.06 2wgq s GLU 280 N 0.39 1.88 0.00 1.61 2.02 -1.26 -2.27 118.70 121.07 2wgq s GLU 280 Ca 0.27 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.68 2wgq s GLU 280 Cb -0.16 -1.58 0.00 0.00 0.10 0.00 0.00 34.13 32.49 2wgq s GLU 280 CO 0.12 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.99 2wgq n GLY 281 N 3.36 6.91 3.68 -1.39 0.00 -0.16 -5.02 105.19 112.56 2wgq n GLY 281 Ca -0.19 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2wgq n GLY 281 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wgq n PRO 282 N 0.00 1.78 -2.38 1.61 -0.02 -1.26 -4.92 135.00 129.80 2wgq n PRO 282 Ca 0.00 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 2wgq n PRO 282 Cb 0.00 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 2wgq n PRO 282 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wgq s VAL 283 N -1.20 3.94 -0.09 -1.45 1.01 -1.26 -4.65 120.40 116.69 2wgq s VAL 283 Ca 0.61 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.99 2wgq s VAL 283 Cb -0.53 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 31.98 2wgq s VAL 283 CO 0.58 0.09 -0.11 -0.69 0.00 0.00 0.00 175.10 174.97 2wgq s VAL 284 N 1.22 1.19 0.25 2.92 1.01 -1.26 -5.10 120.40 120.62 2wgq s VAL 284 Ca 0.59 -0.45 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 2wgq s VAL 284 Cb -0.30 -1.13 -0.12 0.00 0.00 0.00 0.00 36.38 34.84 2wgq s VAL 284 CO 0.29 0.38 1.65 -2.84 0.00 0.00 0.00 175.10 174.58 2wgq s PRO 285 N 1.13 4.13 0.04 2.72 0.02 -1.26 -4.56 135.00 137.21 2wgq s PRO 285 Ca -0.05 2.59 -0.30 0.00 0.02 0.00 0.00 61.00 63.25 2wgq s PRO 285 Cb -0.14 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.25 2wgq s PRO 285 CO -0.02 -0.69 1.76 0.08 -0.33 0.00 0.00 177.00 177.80 2wgq s VAL 286 N 0.57 3.11 0.07 3.83 1.01 -1.26 -4.79 120.40 122.94 2wgq s VAL 286 Ca 0.69 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.72 2wgq s VAL 286 Cb -0.49 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 2wgq s VAL 286 CO 0.40 -0.02 1.78 -2.84 0.00 0.00 0.00 175.10 174.42 2wgq s PRO 287 N 3.52 4.16 -0.01 2.72 0.02 -1.26 -4.91 135.00 139.24 2wgq s PRO 287 Ca 0.79 2.47 0.11 0.00 0.02 0.00 0.00 61.00 64.39 2wgq s PRO 287 Cb -0.40 -3.74 -0.17 0.00 0.02 0.00 0.00 34.50 30.21 2wgq s PRO 287 CO 0.35 -0.83 0.26 -1.33 -0.33 0.00 0.00 177.00 175.12 2wgq n MET 288 N 6.13 0.54 -1.76 5.54 2.81 -1.26 -4.41 117.12 124.70 2wgq n MET 288 Ca 0.17 -0.10 -0.41 0.00 -1.81 0.00 0.00 57.70 55.55 2wgq n MET 288 Cb 0.40 -1.25 -0.00 0.00 -0.71 0.00 0.00 33.22 31.65 2wgq n MET 288 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2wgq n THR 289 N -1.85 2.02 -2.09 2.03 -1.04 -1.26 -4.89 114.28 107.20 2wgq n THR 289 Ca -0.02 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.08 2wgq n THR 289 Cb 0.29 -1.91 -0.03 0.00 -1.82 0.00 0.00 70.33 66.86 2wgq n THR 289 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wgq s ALA 290 N -1.12 3.62 -0.43 2.41 0.00 -1.26 -4.95 121.76 120.04 2wgq s ALA 290 Ca 0.54 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.81 2wgq s ALA 290 Cb -0.49 -3.55 0.30 0.00 0.00 0.00 0.00 23.12 19.39 2wgq s ALA 290 CO 0.63 -0.66 0.68 0.54 0.00 0.00 0.00 175.76 176.95 2wgq n ARG 291 N 3.23 1.26 -1.92 0.00 5.12 -1.26 -5.11 116.66 117.98 2wgq n ARG 291 Ca 0.09 -3.60 -0.37 0.00 -1.93 0.00 0.00 57.85 52.04 2wgq n ARG 291 Cb 0.41 -1.63 0.04 0.00 -1.16 0.00 0.00 32.46 30.11 2wgq n ARG 291 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2wgq s PRO 292 N -2.08 3.10 0.00 5.56 0.04 -1.26 -4.74 135.00 135.61 2wgq s PRO 292 Ca 0.39 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.57 2wgq s PRO 292 Cb 0.26 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2wgq s PRO 292 CO -0.09 -1.16 0.62 1.97 0.04 0.00 0.00 177.00 178.38 2wgq n PHE 293 N -1.24 0.00 1.42 0.56 1.16 -1.26 -4.63 117.46 113.47 2wgq n PHE 293 Ca 0.12 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.79 2wgq n PHE 293 Cb 0.47 0.00 0.37 0.00 -1.61 0.00 0.00 39.48 38.72 2wgq n PHE 293 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2wgq n ASP 294 N -0.61 1.19 0.00 5.98 5.75 -1.26 -4.92 116.55 122.67 2wgq n ASP 294 Ca 0.04 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 2wgq n ASP 294 Cb 0.22 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2wgq n ASP 294 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wgq n GLY 295 N 1.00 0.81 0.46 6.12 0.00 -1.26 -4.94 105.19 107.39 2wgq n GLY 295 Ca 0.14 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.44 2wgq n GLY 295 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wgq h ARG 296 N 3.40 0.01 -0.54 1.61 0.11 -1.92 0.34 114.38 117.39 2wgq h ARG 296 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wgq h ARG 296 Cb 0.00 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2wgq h ARG 296 CO 0.00 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 179.67 2wgq n ASP 297 N -4.28 4.22 -4.60 0.08 5.75 -1.26 -5.00 116.55 111.46 2wgq n ASP 297 Ca 0.18 -2.41 -0.26 0.00 -0.01 0.00 0.00 54.79 52.30 2wgq n ASP 297 Cb 0.95 -0.50 -0.09 0.00 -1.03 0.00 0.00 41.12 40.45 2wgq n ASP 297 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2wgq s ARG 298 N -1.75 2.16 -0.07 0.11 1.81 0.12 -5.10 118.95 116.22 2wgq s ARG 298 Ca 0.44 -1.28 -0.28 0.00 -1.72 0.00 0.00 55.73 52.89 2wgq s ARG 298 Cb 0.28 -2.19 -0.02 0.00 -0.45 0.00 0.00 34.95 32.57 2wgq s ARG 298 CO 0.21 0.42 0.92 0.08 -0.68 0.00 0.00 175.30 176.26 2wgq s VAL 299 N -1.84 4.87 0.13 3.52 1.01 -1.26 -5.01 120.40 121.82 2wgq s VAL 299 Ca 0.27 1.89 -0.31 0.00 0.00 0.00 0.00 61.98 63.83 2wgq s VAL 299 Cb -0.08 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 2wgq s VAL 299 CO 0.17 0.10 1.69 0.00 0.00 0.00 0.00 175.10 177.06 2wgq s ALA 300 N 1.48 3.77 0.33 5.51 0.00 -1.26 -4.98 121.76 126.61 2wgq s ALA 300 Ca 0.46 1.37 -0.27 0.00 0.00 0.00 0.00 51.96 53.53 2wgq s ALA 300 Cb -0.19 -3.70 -0.09 0.00 0.00 0.00 0.00 23.12 19.14 2wgq s ALA 300 CO 0.21 -1.03 1.04 -1.25 0.00 0.00 0.00 175.76 174.73 2wgq s PRO 301 N 2.07 4.45 0.01 0.00 0.04 -1.26 -5.00 135.00 135.31 2wgq s PRO 301 Ca 0.75 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 2wgq s PRO 301 Cb -0.44 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 2wgq s PRO 301 CO 0.33 0.10 1.23 0.00 0.04 0.00 0.00 177.00 178.70 2wgq s ALA 302 N -1.45 3.46 -0.02 8.56 0.00 -1.26 -5.06 121.76 125.99 2wgq s ALA 302 Ca 0.51 0.78 0.06 0.00 0.00 0.00 0.00 51.96 53.31 2wgq s ALA 302 Cb -0.25 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 2wgq s ALA 302 CO 0.32 -0.62 -0.19 0.08 0.00 0.00 0.00 175.76 175.35 2wgq s VAL 303 N 1.65 1.49 0.34 0.00 1.01 -1.26 -5.13 120.40 118.49 2wgq s VAL 303 Ca 0.59 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 2wgq s VAL 303 Cb -0.28 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 2wgq s VAL 303 CO 0.26 0.42 1.17 -0.54 0.00 0.00 0.00 175.10 176.42 2wgq s LYS 304 N -0.38 4.34 0.68 2.72 1.02 -1.26 -4.97 119.74 121.88 2wgq s LYS 304 Ca 0.06 1.91 -0.15 0.00 0.02 0.00 0.00 55.97 57.81 2wgq s LYS 304 Cb -0.08 -2.94 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2wgq s LYS 304 CO -0.00 -0.10 1.14 -1.25 -0.92 0.00 0.00 175.35 174.22 2wgq s PRO 305 N -1.89 2.62 -0.03 -1.68 0.04 -1.26 -5.04 135.00 127.75 2wgq s PRO 305 Ca 0.51 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 63.04 2wgq s PRO 305 Cb -0.33 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.32 2wgq s PRO 305 CO 0.43 -1.41 0.01 1.41 0.04 0.00 0.00 177.00 177.48 2wgq s MET 306 N -4.03 0.26 -0.12 4.56 1.75 -1.26 -5.14 119.30 115.32 2wgq s MET 306 Ca 0.69 0.13 0.01 0.00 -1.25 0.00 0.00 55.69 55.26 2wgq s MET 306 Cb -0.23 -0.52 0.02 0.00 2.84 0.00 0.00 34.83 36.94 2wgq s MET 306 CO 0.42 -0.18 -0.13 -0.65 -0.65 0.00 0.00 175.02 173.83 2wgq s GLN 307 N 1.27 2.04 -0.38 4.11 -0.21 -1.26 -4.99 119.66 120.24 2wgq s GLN 307 Ca -0.06 -0.48 -0.18 0.00 0.02 0.00 0.00 55.36 54.66 2wgq s GLN 307 Cb -0.13 -1.85 0.01 0.00 1.00 0.00 0.00 33.01 32.04 2wgq s GLN 307 CO -0.02 -0.15 0.50 0.42 -2.12 0.00 0.00 175.29 173.91 2wgq s ILE 308 N 1.27 5.02 0.05 1.08 1.01 -1.26 -5.05 121.20 123.32 2wgq s ILE 308 Ca -0.01 0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.81 2wgq s ILE 308 Cb -0.14 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2wgq s ILE 308 CO -0.05 -0.32 -0.25 0.27 0.00 0.00 0.00 174.94 174.58 2wgq s ILE 309 N 2.36 2.26 -0.47 2.92 -4.36 -1.26 -3.10 121.20 119.55 2wgq s ILE 309 Ca 0.17 -1.37 0.03 0.00 -0.26 0.00 0.00 60.65 59.22 2wgq s ILE 309 Cb -0.16 -1.90 0.14 0.00 1.25 0.00 0.00 42.46 41.80 2wgq s ILE 309 CO 0.14 0.35 0.28 -1.61 0.24 0.00 0.00 174.94 174.34 2wgq s GLU 310 N -1.30 1.41 0.19 0.37 2.02 -1.26 -5.01 118.70 115.12 2wgq s GLU 310 Ca 0.12 -2.19 0.24 0.00 0.02 0.00 0.00 54.97 53.16 2wgq s GLU 310 Cb -0.10 -2.41 0.91 0.00 0.10 0.00 0.00 34.13 32.62 2wgq s GLU 310 CO 0.03 -1.19 1.73 -0.35 0.02 0.00 0.00 175.26 175.49 2wgq n PRO 311 N 3.29 0.18 -0.53 0.39 -0.05 -1.26 -2.30 135.00 134.71 2wgq n PRO 311 Ca 0.12 0.29 0.08 0.00 -0.05 0.00 0.00 63.50 63.94 2wgq n PRO 311 Cb 0.36 -1.77 0.29 0.00 -0.05 0.00 0.00 33.50 32.33 2wgq n PRO 311 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2wgq n GLU 312 N -2.09 3.43 0.00 0.54 4.71 -1.26 -3.71 120.64 122.25 2wgq n GLU 312 Ca 0.04 -2.84 0.00 0.00 -0.01 0.00 0.00 57.16 54.34 2wgq n GLU 312 Cb 0.30 -1.89 0.00 0.00 -1.01 0.00 0.00 31.44 28.84 2wgq n GLU 312 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wgq n GLY 313 N -0.03 -1.85 3.96 0.62 0.00 -0.97 -4.91 105.19 102.01 2wgq n GLY 313 Ca 0.22 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 2wgq n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wgq s LYS 314 N 0.00 3.45 0.00 1.61 -0.14 -1.26 -4.86 119.74 118.54 2wgq s LYS 314 Ca 0.00 -0.56 0.28 0.00 -1.36 0.00 0.00 55.97 54.32 2wgq s LYS 314 Cb 0.00 -2.78 1.00 0.00 -1.68 0.00 0.00 37.83 34.38 2wgq s LYS 314 CO 0.00 0.28 1.73 0.09 -0.76 0.00 0.00 175.35 176.69 2wgq n ASN 315 N -1.60 0.52 -4.84 2.83 5.03 -1.26 -4.89 115.26 111.06 2wgq n ASN 315 Ca -0.07 -0.44 -0.21 0.00 0.87 0.00 0.00 54.58 54.73 2wgq n ASN 315 Cb 0.57 -0.03 -0.04 0.00 -1.02 0.00 0.00 39.78 39.26 2wgq n ASN 315 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2wgq s TYR 316 N -2.64 2.92 0.01 3.10 -0.85 -1.26 -4.33 117.35 114.30 2wgq s TYR 316 Ca 0.23 -0.28 0.06 0.00 -0.52 0.00 0.00 57.07 56.56 2wgq s TYR 316 Cb 0.19 -1.73 -0.02 0.00 0.38 0.00 0.00 41.96 40.79 2wgq s TYR 316 CO 0.53 0.24 -0.17 0.99 -1.52 0.00 0.00 175.55 175.63 2wgq s THR 317 N -2.29 1.33 -0.33 -3.49 2.01 0.13 -4.75 115.64 108.26 2wgq s THR 317 Ca 0.40 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.53 2wgq s THR 317 Cb -0.06 -1.15 0.09 0.00 0.01 0.00 0.00 72.50 71.40 2wgq s THR 317 CO 0.26 0.23 0.03 -0.63 -0.69 0.00 0.00 174.62 173.82 2wgq s ILE 318 N -0.60 2.18 -0.41 1.82 1.01 0.13 -1.22 121.20 124.10 2wgq s ILE 318 Ca 0.05 -2.18 -0.12 0.00 0.00 0.00 0.00 60.65 58.40 2wgq s ILE 318 Cb -0.07 -2.57 0.05 0.00 0.01 0.00 0.00 42.46 39.88 2wgq s ILE 318 CO 0.00 -0.51 0.28 -0.89 0.00 0.00 0.00 174.94 173.82 2wgq s THR 319 N 0.97 4.72 0.00 2.92 2.01 0.75 -1.55 115.64 125.46 2wgq s THR 319 Ca 0.08 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.05 2wgq s THR 319 Cb -0.19 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.58 2wgq s THR 319 CO -0.08 -0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.06 2wgq n GLY 320 N 5.04 4.16 0.90 4.40 0.00 -1.14 -0.19 105.19 118.37 2wgq n GLY 320 Ca -0.11 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2wgq n GLY 320 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wgq n ASP 321 N 8.05 2.87 -4.70 1.61 8.00 -1.26 -4.94 116.55 126.17 2wgq n ASP 321 Ca 0.00 -1.94 -0.42 0.00 0.71 0.00 0.00 54.79 53.14 2wgq n ASP 321 Cb 0.00 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 2wgq n ASP 321 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wgq s MET 322 N -1.99 4.42 -0.18 -1.24 -1.94 0.73 -2.22 119.30 116.88 2wgq s MET 322 Ca 0.27 1.71 -0.02 0.00 -1.71 0.00 0.00 55.69 55.93 2wgq s MET 322 Cb 0.19 -3.43 -0.01 0.00 2.01 0.00 0.00 34.83 33.60 2wgq s MET 322 CO 0.31 -0.30 -0.08 0.42 -0.01 0.00 0.00 175.02 175.36 2wgq s ILE 323 N 1.44 3.20 -0.16 2.53 1.01 0.89 -0.18 121.20 129.93 2wgq s ILE 323 Ca 0.57 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 2wgq s ILE 323 Cb -0.27 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 2wgq s ILE 323 CO 0.27 0.47 -0.09 -2.28 0.00 0.00 0.00 174.94 173.31 2wgq s HIS 324 N 1.03 2.89 -0.23 3.97 5.65 -0.36 -2.20 115.29 126.06 2wgq s HIS 324 Ca -0.00 -0.71 -0.06 0.00 0.25 0.00 0.00 55.06 54.53 2wgq s HIS 324 Cb -0.15 -1.95 0.11 0.00 -1.18 0.00 0.00 32.58 29.42 2wgq s HIS 324 CO -0.01 -0.31 0.45 -0.46 -0.65 0.00 0.00 174.74 173.76 2wgq s TRP 325 N 0.74 -0.92 0.00 3.88 -0.00 -0.83 -0.69 118.94 121.11 2wgq s TRP 325 Ca -0.04 1.51 0.00 0.00 -0.00 0.00 0.00 56.10 57.57 2wgq s TRP 325 Cb -0.15 0.33 0.00 0.00 -0.00 0.00 0.00 33.47 33.65 2wgq s TRP 325 CO 0.02 -0.57 0.00 0.54 -0.00 0.00 0.00 176.95 176.93 2wgq n ARG 326 N 5.40 0.00 -0.04 5.86 5.12 -1.26 -0.53 116.66 131.20 2wgq n ARG 326 Ca -0.08 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 55.96 2wgq n ARG 326 Cb 0.50 0.00 0.49 0.00 -1.16 0.00 0.00 32.46 32.29 2wgq n ARG 326 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2wgq n ASN 327 N 3.07 1.25 -4.89 0.55 5.03 -1.26 -4.90 115.26 114.11 2wgq n ASN 327 Ca 0.00 -1.55 -0.33 0.00 0.87 0.00 0.00 54.58 53.57 2wgq n ASN 327 Cb 0.00 -0.05 -0.05 0.00 -1.02 0.00 0.00 39.78 38.66 2wgq n ASN 327 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2wgq s TRP 328 N -1.90 3.53 -0.01 3.10 0.52 0.31 -0.68 118.94 123.80 2wgq s TRP 328 Ca 0.35 0.57 0.01 0.00 0.02 0.00 0.00 56.10 57.05 2wgq s TRP 328 Cb 0.18 -2.00 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 2wgq s TRP 328 CO 0.29 0.51 -0.02 -0.51 0.02 0.00 0.00 176.95 177.24 2wgq s ASP 329 N -2.11 0.36 0.11 2.95 1.01 -0.31 -1.96 116.67 116.72 2wgq s ASP 329 Ca 0.35 -0.05 -0.26 0.00 0.71 0.00 0.00 52.55 53.31 2wgq s ASP 329 Cb -0.13 -0.09 0.07 0.00 1.01 0.00 0.00 42.92 43.78 2wgq s ASP 329 CO 0.21 -0.00 0.87 0.72 0.21 0.00 0.00 175.17 177.18 2wgq s PHE 330 N 0.24 -0.26 -0.08 4.23 -0.71 -0.93 -0.75 117.98 119.72 2wgq s PHE 330 Ca -0.02 0.01 0.05 0.00 -1.04 0.00 0.00 56.93 55.92 2wgq s PHE 330 Cb -0.05 0.60 -0.01 0.00 -1.21 0.00 0.00 43.02 42.36 2wgq s PHE 330 CO -0.01 -0.76 -0.23 -1.58 -1.34 0.00 0.00 175.22 171.30 2wgq s HIS 331 N -3.33 2.53 -0.19 3.49 2.46 -0.29 -0.08 115.29 119.89 2wgq s HIS 331 Ca 0.08 -0.85 -0.01 0.00 0.47 0.00 0.00 55.06 54.75 2wgq s HIS 331 Cb -0.02 -1.67 -0.00 0.00 -0.13 0.00 0.00 32.58 30.76 2wgq s HIS 331 CO -0.03 -0.30 -0.11 -1.17 -2.47 0.00 0.00 174.74 170.66 2wgq s LEU 332 N 0.09 2.61 0.29 8.88 2.96 -0.94 -0.46 118.68 132.11 2wgq s LEU 332 Ca -0.11 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 2wgq s LEU 332 Cb -0.16 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2wgq s LEU 332 CO 0.06 0.03 0.27 -0.94 -1.32 0.00 0.00 176.35 174.44 2wgq s SER 333 N 1.18 1.14 -0.04 3.68 1.04 -0.10 -4.80 113.70 115.81 2wgq s SER 333 Ca 0.02 -1.61 0.07 0.00 0.48 0.00 0.00 55.95 54.91 2wgq s SER 333 Cb -0.14 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 2wgq s SER 333 CO -0.04 -1.03 -0.25 -0.32 0.98 0.00 0.00 173.24 172.57 2wgq s MET 334 N -3.60 2.30 -0.02 4.02 1.75 -1.26 0.14 119.30 122.62 2wgq s MET 334 Ca 0.39 -0.92 0.06 0.00 -1.25 0.00 0.00 55.69 53.97 2wgq s MET 334 Cb 0.03 -2.10 -0.01 0.00 2.84 0.00 0.00 34.83 35.59 2wgq s MET 334 CO 0.22 0.49 -0.19 1.21 -0.65 0.00 0.00 175.02 176.11 2wgq s ASN 335 N -0.43 2.21 0.47 1.11 3.84 -0.49 -4.92 114.94 116.73 2wgq s ASN 335 Ca 0.05 -0.34 0.13 0.00 0.21 0.00 0.00 52.86 52.90 2wgq s ASN 335 Cb -0.12 -0.32 1.10 0.00 -0.55 0.00 0.00 41.25 41.36 2wgq s ASN 335 CO 0.01 0.22 2.09 0.77 -2.79 0.00 0.00 177.10 177.39 2wgq h SER 336 N 5.78 0.13 0.00 -4.21 4.64 -1.90 -0.94 113.55 117.05 2wgq h SER 336 Ca -0.37 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2wgq h SER 336 Cb 1.15 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2wgq h SER 336 CO 0.48 0.14 -0.15 -0.09 -0.87 0.00 0.00 176.83 176.34 2wgq h ARG 337 N 0.15 0.00 -0.00 4.77 2.43 -1.89 0.21 114.38 120.04 2wgq h ARG 337 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2wgq h ARG 337 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2wgq h ARG 337 CO -0.00 0.00 -0.80 1.33 -1.51 0.00 0.00 179.97 178.99 2wgq n VAL 338 N -4.36 0.00 -2.54 0.20 0.24 -1.25 -0.83 118.33 109.79 2wgq n VAL 338 Ca -0.02 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2wgq n VAL 338 Cb 0.08 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 2wgq n VAL 338 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wgq n GLY 339 N 1.48 0.46 3.77 7.63 0.00 -0.36 -4.49 105.19 113.68 2wgq n GLY 339 Ca 0.05 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 2wgq n GLY 339 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wgq s PRO 340 N 0.00 3.83 -0.07 1.61 0.04 -1.26 -1.40 135.00 137.75 2wgq s PRO 340 Ca 0.00 2.36 0.04 0.00 0.04 0.00 0.00 61.00 63.44 2wgq s PRO 340 Cb 0.00 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2wgq s PRO 340 CO 0.00 -0.68 -0.19 -1.64 0.04 0.00 0.00 177.00 174.53 2wgq s MET 341 N -2.33 2.33 -0.25 4.56 -1.94 0.37 -4.44 119.30 117.60 2wgq s MET 341 Ca 0.59 -0.69 -0.01 0.00 -1.71 0.00 0.00 55.69 53.87 2wgq s MET 341 Cb -0.42 -1.86 0.03 0.00 2.01 0.00 0.00 34.83 34.58 2wgq s MET 341 CO 0.55 0.17 -0.07 0.42 -0.01 0.00 0.00 175.02 176.07 2wgq s ILE 342 N 0.33 2.74 0.12 2.53 1.09 -0.04 -0.92 121.20 127.05 2wgq s ILE 342 Ca -0.13 -1.09 0.03 0.00 -1.10 0.00 0.00 60.65 58.36 2wgq s ILE 342 Cb -0.16 -2.40 -0.04 0.00 -1.06 0.00 0.00 42.46 38.80 2wgq s ILE 342 CO 0.05 0.19 -0.09 -0.44 -0.10 0.00 0.00 174.94 174.56 2wgq s SER 343 N 1.30 1.47 -1.04 3.58 0.01 0.39 -0.38 113.70 119.02 2wgq s SER 343 Ca -0.01 -0.99 -0.17 0.00 1.31 0.00 0.00 55.95 56.10 2wgq s SER 343 Cb -0.17 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2wgq s SER 343 CO -0.05 -0.38 0.73 0.35 0.41 0.00 0.00 173.24 174.30 2wgq n THR 344 N -0.04 -5.36 -3.26 1.44 -2.24 0.76 -1.14 114.28 104.44 2wgq n THR 344 Ca -0.12 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.63 2wgq n THR 344 Cb 0.60 -4.04 -0.08 0.00 -2.10 0.00 0.00 70.33 64.72 2wgq n THR 344 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wgq s VAL 345 N -3.32 5.07 0.07 2.28 1.01 0.12 -4.03 120.40 121.60 2wgq s VAL 345 Ca 0.33 0.66 0.07 0.00 0.00 0.00 0.00 61.98 63.04 2wgq s VAL 345 Cb -0.13 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2wgq s VAL 345 CO 0.87 -0.00 -0.19 0.42 0.00 0.00 0.00 175.10 176.20 2wgq s THR 346 N 2.30 1.57 -0.29 3.92 -4.23 0.07 0.05 115.64 119.03 2wgq s THR 346 Ca 0.19 -1.31 -0.06 0.00 -1.18 0.00 0.00 61.69 59.34 2wgq s THR 346 Cb -0.16 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.30 2wgq s THR 346 CO 0.11 0.05 0.05 -0.47 -0.54 0.00 0.00 174.62 173.82 2wgq s TYR 347 N -0.97 3.14 -0.28 3.99 6.14 -0.11 -1.17 117.35 128.09 2wgq s TYR 347 Ca 0.06 -1.12 -0.29 0.00 0.64 0.00 0.00 57.07 56.36 2wgq s TYR 347 Cb -0.09 -2.21 -0.02 0.00 0.42 0.00 0.00 41.96 40.05 2wgq s TYR 347 CO 0.03 -0.61 1.78 1.21 0.64 0.00 0.00 175.55 178.59 2wgq s ASN 348 N 1.46 6.03 -0.25 4.32 2.47 0.14 -1.27 114.94 127.83 2wgq s ASN 348 Ca 0.02 1.48 -0.06 0.00 0.42 0.00 0.00 52.86 54.71 2wgq s ASN 348 Cb -0.17 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.09 2wgq s ASN 348 CO 0.01 -1.57 0.04 -0.62 -3.72 0.00 0.00 177.10 171.24 2wgq s ASP 349 N 5.63 4.87 -0.42 -4.21 -1.08 0.12 -4.70 116.67 116.88 2wgq s ASP 349 Ca 0.79 -0.35 -0.01 0.00 -0.52 0.00 0.00 52.55 52.46 2wgq s ASP 349 Cb -0.24 -1.86 0.01 0.00 -1.46 0.00 0.00 42.92 39.36 2wgq s ASP 349 CO 0.33 -0.06 0.01 0.59 0.52 0.00 0.00 175.17 176.56 2wgq n ASN 350 N 4.88 0.19 0.00 -0.34 5.03 -1.26 0.23 115.26 123.99 2wgq n ASN 350 Ca -0.16 -0.34 0.00 0.00 0.87 0.00 0.00 54.58 54.94 2wgq n ASN 350 Cb 0.51 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 2wgq n ASN 350 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wgq n GLY 351 N -1.36 1.48 3.64 7.41 0.00 -1.26 -5.07 105.19 110.03 2wgq n GLY 351 Ca -0.08 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2wgq n GLY 351 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wgq s THR 352 N -1.73 4.91 -0.15 2.61 2.01 0.14 -5.06 115.64 118.36 2wgq s THR 352 Ca 0.00 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 2wgq s THR 352 Cb 0.00 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 2wgq s THR 352 CO 0.00 0.44 1.36 -0.54 -0.69 0.00 0.00 174.62 175.20 2wgq s LYS 353 N 0.46 4.19 -0.15 4.92 1.02 -1.26 0.15 119.74 129.07 2wgq s LYS 353 Ca 0.04 1.76 -0.06 0.00 0.02 0.00 0.00 55.97 57.73 2wgq s LYS 353 Cb -0.12 -3.83 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 2wgq s LYS 353 CO 0.00 -0.78 0.05 1.03 -0.92 0.00 0.00 175.35 174.73 2wgq s ARG 354 N 3.70 3.64 0.27 1.68 0.52 -0.40 -4.91 118.95 123.45 2wgq s ARG 354 Ca 0.60 -0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 55.15 2wgq s ARG 354 Cb -0.24 -3.08 -0.12 0.00 0.52 0.00 0.00 34.95 32.03 2wgq s ARG 354 CO 0.19 0.44 1.56 1.63 0.02 0.00 0.00 175.30 179.14 2wgq n LYS 355 N 2.99 2.53 0.00 3.54 5.02 -1.26 -0.93 118.16 130.05 2wgq n LYS 355 Ca -0.18 0.90 -0.00 0.00 -2.02 0.00 0.00 58.31 57.01 2wgq n LYS 355 Cb 0.53 -2.66 -0.00 0.00 -0.02 0.00 0.00 35.03 32.88 2wgq n LYS 355 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wgq n VAL 356 N 2.25 0.16 -3.64 -0.18 0.31 0.11 -0.73 118.33 116.60 2wgq n VAL 356 Ca 0.10 0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.34 2wgq n VAL 356 Cb 0.35 -1.51 -0.13 0.00 -0.91 0.00 0.00 33.84 31.64 2wgq n VAL 356 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2wgq s MET 357 N -2.00 0.17 0.03 5.55 -2.45 -0.97 -1.91 119.30 117.72 2wgq s MET 357 Ca -0.00 0.73 -0.20 0.00 -1.25 0.00 0.00 55.69 54.97 2wgq s MET 357 Cb 0.00 -0.09 -0.16 0.00 1.25 0.00 0.00 34.83 35.82 2wgq s MET 357 CO 0.00 -0.32 1.27 -0.92 1.05 0.00 0.00 175.02 176.10 2wgq h TYR 358 N 8.27 0.49 -2.29 4.11 3.20 -1.22 0.36 116.97 129.90 2wgq h TYR 358 Ca -0.15 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.50 2wgq h TYR 358 Cb 1.12 -0.09 -0.23 0.00 1.54 0.00 0.00 36.73 39.06 2wgq h TYR 358 CO 0.34 0.88 -0.12 -2.00 -1.64 0.00 0.00 178.16 175.61 2wgq s GLU 359 N -3.96 0.57 0.02 1.82 2.12 -1.21 -0.17 118.70 117.89 2wgq s GLU 359 Ca -0.14 1.02 0.00 0.00 0.36 0.00 0.00 54.97 56.22 2wgq s GLU 359 Cb 0.05 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 2wgq s GLU 359 CO 0.77 -0.15 -0.03 0.20 -0.54 0.00 0.00 175.26 175.51 2wgq s GLY 360 N 1.49 0.24 -0.20 -1.50 0.00 0.48 -1.02 107.32 106.81 2wgq s GLY 360 Ca -0.09 -0.54 -0.36 0.00 0.00 0.00 0.00 44.72 43.72 2wgq s GLY 360 CO -0.16 -0.61 1.40 -1.35 0.00 0.00 0.00 173.10 172.39 2wgq s SER 361 N -1.32 -0.01 0.55 1.64 1.04 -1.08 -0.86 113.70 113.66 2wgq s SER 361 Ca -0.14 -0.01 -0.21 0.00 0.48 0.00 0.00 55.95 56.07 2wgq s SER 361 Cb -0.09 0.02 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 2wgq s SER 361 CO -0.01 -0.03 1.24 -0.11 0.98 0.00 0.00 173.24 175.31 2wgq n LEU 362 N -0.23 4.84 -0.09 2.42 7.94 -1.26 -2.43 117.00 128.19 2wgq n LEU 362 Ca -0.02 0.94 -0.10 0.00 -1.11 0.00 0.00 56.01 55.73 2wgq n LEU 362 Cb 0.60 -1.51 -0.03 0.00 0.53 0.00 0.00 43.42 43.00 2wgq n LEU 362 CO 0.09 -0.97 -0.70 0.61 -1.11 0.00 0.00 177.39 175.31 2wgq n GLY 363 N 0.92 -0.51 3.67 -3.96 0.00 0.63 -4.62 105.19 101.32 2wgq n GLY 363 Ca 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 2wgq n GLY 363 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wgq s GLY 364 N -4.92 -0.32 0.07 -0.02 0.00 -1.11 -4.32 107.32 96.71 2wgq s GLY 364 Ca -0.29 0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.94 2wgq s GLY 364 CO 0.42 0.12 -0.04 -3.16 0.00 0.00 0.00 173.10 170.43 2wgq s MET 365 N -2.96 0.70 -0.05 2.90 0.23 -1.26 -0.94 119.30 117.92 2wgq s MET 365 Ca 0.12 -1.26 -0.06 0.00 -1.03 0.00 0.00 55.69 53.46 2wgq s MET 365 Cb 0.00 0.04 0.01 0.00 -1.53 0.00 0.00 34.83 33.36 2wgq s MET 365 CO -0.01 -0.07 0.15 -1.50 -2.03 0.00 0.00 175.02 171.56 2wgq s ILE 366 N -3.77 0.01 -0.35 3.16 2.07 -0.14 -3.37 121.20 118.82 2wgq s ILE 366 Ca 0.09 -0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.24 2wgq s ILE 366 Cb 0.07 -0.26 0.10 0.00 0.13 0.00 0.00 42.46 42.50 2wgq s ILE 366 CO -0.08 -0.06 0.09 -0.69 -1.91 0.00 0.00 174.94 172.30 2wgq s VAL 367 N -0.14 1.75 -0.02 4.00 1.01 0.65 -1.23 120.40 126.42 2wgq s VAL 367 Ca -0.02 -2.09 0.04 0.00 0.00 0.00 0.00 61.98 59.90 2wgq s VAL 367 Cb -0.02 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2wgq s VAL 367 CO 0.00 -0.66 -0.12 -2.16 0.00 0.00 0.00 175.10 172.17 2wgq s PRO 368 N 1.04 2.46 0.51 2.72 0.04 -1.21 -0.51 135.00 140.05 2wgq s PRO 368 Ca 0.11 -0.74 0.06 0.00 0.04 0.00 0.00 61.00 60.47 2wgq s PRO 368 Cb -0.19 -2.40 0.04 0.00 0.04 0.00 0.00 34.50 31.99 2wgq s PRO 368 CO -0.13 0.61 0.70 0.71 0.04 0.00 0.00 177.00 178.93 2wgq s TYR 369 N -0.86 2.42 -0.02 0.56 1.51 -0.93 -2.02 117.35 118.02 2wgq s TYR 369 Ca 0.14 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2wgq s TYR 369 Cb -0.11 -2.48 0.04 0.00 -0.11 0.00 0.00 41.96 39.30 2wgq s TYR 369 CO 0.04 -0.79 0.91 0.41 -1.11 0.00 0.00 175.55 175.00 2wgq n GLY 370 N -2.13 0.47 3.80 0.71 0.00 -1.13 -4.93 105.19 101.97 2wgq n GLY 370 Ca 0.10 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2wgq n GLY 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wgq s ASP 371 N -1.04 7.21 0.00 1.61 -1.08 -1.26 -4.99 116.67 117.12 2wgq s ASP 371 Ca 0.04 1.65 0.18 0.00 -0.52 0.00 0.00 52.55 53.90 2wgq s ASP 371 Cb 0.04 -2.51 -0.06 0.00 -1.46 0.00 0.00 42.92 38.93 2wgq s ASP 371 CO 0.00 -0.03 0.88 -0.81 0.52 0.00 0.00 175.17 175.73 2wgq n PRO 372 N 0.61 1.45 -0.63 4.34 -0.04 -1.26 -3.73 135.00 135.75 2wgq n PRO 372 Ca 0.00 -0.62 -0.28 0.00 -0.04 0.00 0.00 63.50 62.56 2wgq n PRO 372 Cb 0.51 -1.34 0.24 0.00 -0.04 0.00 0.00 33.50 32.87 2wgq n PRO 372 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wgq s ASP 373 N -2.26 1.23 0.39 3.54 1.11 -1.26 -4.38 116.67 115.04 2wgq s ASP 373 Ca 0.13 1.51 0.05 0.00 0.18 0.00 0.00 52.55 54.42 2wgq s ASP 373 Cb 0.14 -2.26 0.77 0.00 1.07 0.00 0.00 42.92 42.64 2wgq s ASP 373 CO 0.54 -4.04 2.02 0.16 1.18 0.00 0.00 175.17 175.03 2wgq h ILE 374 N -2.51 1.13 0.00 0.77 3.07 -1.97 -1.26 117.51 116.74 2wgq h ILE 374 Ca -0.60 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 65.51 2wgq h ILE 374 Cb 1.33 0.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 2wgq h ILE 374 CO 0.51 0.14 0.00 0.61 -1.05 0.00 0.00 178.15 178.36 2wgq n GLY 375 N -1.39 -0.99 0.00 0.16 0.00 -1.26 -4.10 105.19 97.61 2wgq n GLY 375 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2wgq n GLY 375 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wgq n TRP 376 N -1.22 0.00 -0.16 1.61 7.02 -0.76 -4.80 117.44 119.12 2wgq n TRP 376 Ca 0.13 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.53 2wgq n TRP 376 Cb 0.16 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.12 2wgq n TRP 376 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2wgq h TYR 377 N 0.00 1.04 -0.02 -5.99 -0.00 -1.34 -2.34 116.97 108.32 2wgq h TYR 377 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 58.73 58.54 2wgq h TYR 377 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 36.73 36.46 2wgq h TYR 377 CO 0.00 0.96 -0.02 1.97 -0.00 0.00 0.00 178.16 181.07 2wgq n PHE 378 N -4.17 0.00 -2.43 0.10 -1.74 -1.26 -4.95 117.46 103.01 2wgq n PHE 378 Ca 0.02 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.48 2wgq n PHE 378 Cb 0.37 -0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.34 2wgq n PHE 378 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2wgq s LYS 379 N -2.03 3.84 -0.30 3.97 2.20 -0.88 -4.73 119.74 121.81 2wgq s LYS 379 Ca 0.33 1.12 -0.04 0.00 -0.36 0.00 0.00 55.97 57.02 2wgq s LYS 379 Cb 0.21 -3.90 0.17 0.00 -1.51 0.00 0.00 37.83 32.79 2wgq s LYS 379 CO 0.33 -1.22 0.61 0.00 -0.36 0.00 0.00 175.35 174.71 2wgq s ALA 380 N 4.57 -2.13 -0.24 3.13 0.00 -1.26 -2.18 121.76 123.64 2wgq s ALA 380 Ca 0.56 2.00 -0.21 0.00 0.00 0.00 0.00 51.96 54.31 2wgq s ALA 380 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 2wgq s ALA 380 CO 0.25 -1.17 0.65 0.71 0.00 0.00 0.00 175.76 176.20 2wgq s TYR 381 N 2.86 3.31 -0.97 0.00 1.51 0.34 -4.84 117.35 119.55 2wgq s TYR 381 Ca 0.11 0.87 -0.16 0.00 -1.01 0.00 0.00 57.07 56.88 2wgq s TYR 381 Cb -0.14 -2.85 0.16 0.00 -0.11 0.00 0.00 41.96 39.03 2wgq s TYR 381 CO -0.20 -0.29 1.12 -0.51 -1.11 0.00 0.00 175.55 174.56 2wgq s LEU 382 N 2.37 5.45 0.14 -1.29 2.01 -1.26 -0.25 118.68 125.85 2wgq s LEU 382 Ca 0.28 -2.44 -0.17 0.00 0.01 0.00 0.00 54.13 51.81 2wgq s LEU 382 Cb -0.16 -2.35 -0.01 0.00 0.01 0.00 0.00 46.19 43.68 2wgq s LEU 382 CO 0.09 -0.87 1.78 0.44 1.01 0.00 0.00 176.35 178.80 2wgq h ASP 383 N 8.19 0.42 0.07 2.29 3.32 -1.93 0.43 116.42 129.20 2wgq h ASP 383 Ca 0.18 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2wgq h ASP 383 Cb 0.99 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2wgq h ASP 383 CO 1.06 0.33 -0.03 0.77 -1.72 0.00 0.00 179.24 179.65 2wgq h SER 384 N 0.46 -0.08 -0.15 6.45 4.64 -1.84 -2.20 113.55 120.84 2wgq h SER 384 Ca 0.13 -0.53 -0.06 0.00 -0.47 0.00 0.00 61.79 60.86 2wgq h SER 384 Cb -0.02 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 2wgq h SER 384 CO -0.03 0.62 -0.07 1.23 -0.87 0.00 0.00 176.83 177.71 2wgq h GLY 385 N -0.90 0.49 0.00 -0.77 0.00 -1.84 -1.81 103.07 98.24 2wgq h GLY 385 Ca -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2wgq h GLY 385 CO 0.02 0.29 -1.98 1.22 0.00 0.00 0.00 176.54 176.08 2wgq n ASP 386 N -4.25 0.16 0.00 0.19 9.92 0.14 -4.58 116.55 118.13 2wgq n ASP 386 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2wgq n ASP 386 Cb 0.28 1.93 0.00 0.00 -0.64 0.00 0.00 41.12 42.68 2wgq n ASP 386 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2wgq n TYR 387 N -2.26 0.00 -1.70 1.24 4.02 -0.85 -0.83 117.16 116.78 2wgq n TYR 387 Ca -0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.84 2wgq n TYR 387 Cb 0.58 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.89 2wgq n TYR 387 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wgq n GLY 388 N 1.36 -3.10 0.09 2.72 0.00 -0.68 -4.77 105.19 100.81 2wgq n GLY 388 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 2wgq n GLY 388 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2wgq h MET 389 N 0.52 0.02 -0.16 1.61 2.86 -1.00 -2.47 114.93 116.32 2wgq h MET 389 Ca -0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2wgq h MET 389 Cb 0.03 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2wgq h MET 389 CO 0.01 0.86 0.05 0.78 1.06 0.00 0.00 176.91 179.68 2wgq h GLY 390 N 2.45 0.26 1.33 8.32 0.00 -0.55 -0.79 103.07 114.08 2wgq h GLY 390 Ca -0.01 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.20 2wgq h GLY 390 CO 0.11 0.14 0.38 -0.84 0.00 0.00 0.00 176.54 176.33 2wgq h THR 391 N 0.08 1.08 -0.57 4.70 2.02 -0.68 -1.76 112.91 117.77 2wgq h THR 391 Ca 0.05 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2wgq h THR 391 Cb 0.21 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2wgq h THR 391 CO -0.00 0.12 0.00 0.18 0.37 0.00 0.00 175.52 176.19 2wgq n LEU 392 N -4.47 3.19 -3.97 2.58 4.77 -0.94 -4.97 117.00 113.19 2wgq n LEU 392 Ca 0.07 -1.60 -0.43 0.00 -0.03 0.00 0.00 56.01 54.02 2wgq n LEU 392 Cb 0.13 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 2wgq n LEU 392 CO 0.35 0.76 -0.02 0.41 -1.33 0.00 0.00 177.39 177.56 2wgq n THR 393 N 1.16 1.77 -3.84 -5.08 -1.04 -0.34 -3.11 114.28 103.80 2wgq n THR 393 Ca 0.20 -0.45 -0.36 0.00 -2.04 0.00 0.00 64.05 61.40 2wgq n THR 393 Cb 0.52 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.89 2wgq n THR 393 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2wgq s SER 394 N -0.90 4.69 0.24 8.00 0.01 0.48 -4.82 113.70 121.40 2wgq s SER 394 Ca 0.58 -0.36 -0.31 0.00 1.31 0.00 0.00 55.95 57.16 2wgq s SER 394 Cb -0.83 -1.82 -0.13 0.00 0.21 0.00 0.00 66.02 63.45 2wgq s SER 394 CO 0.51 -0.04 1.43 -2.65 0.41 0.00 0.00 173.24 172.89 2wgq n PRO 395 N 4.85 2.09 -1.83 12.44 -0.02 -1.26 -4.57 135.00 146.69 2wgq n PRO 395 Ca -0.17 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 2wgq n PRO 395 Cb 0.51 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 2wgq n PRO 395 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wgq s ILE 396 N -0.01 2.63 -0.50 4.25 1.01 0.72 -4.95 121.20 124.34 2wgq s ILE 396 Ca 0.68 0.26 -0.28 0.00 0.00 0.00 0.00 60.65 61.31 2wgq s ILE 396 Cb -0.64 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 38.67 2wgq s ILE 396 CO 0.49 0.01 1.49 0.00 0.00 0.00 0.00 174.94 176.93 2wgq s ALA 397 N 2.12 2.83 0.18 9.38 0.00 -1.26 -4.93 121.76 130.08 2wgq s ALA 397 Ca 0.75 -0.42 -0.33 0.00 0.00 0.00 0.00 51.96 51.96 2wgq s ALA 397 Cb -0.44 -4.06 -0.15 0.00 0.00 0.00 0.00 23.12 18.47 2wgq s ALA 397 CO 0.33 -2.83 1.38 -2.13 0.00 0.00 0.00 175.76 172.52 2wgq n ARG 398 N 8.51 1.70 0.00 0.00 0.63 -1.26 -0.93 116.66 125.31 2wgq n ARG 398 Ca 0.15 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 2wgq n ARG 398 Cb 0.49 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.14 2wgq n ARG 398 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wgq n GLY 399 N 2.50 2.99 0.67 5.14 0.00 -0.72 -4.70 105.19 111.07 2wgq n GLY 399 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 2wgq n GLY 399 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wgq n LYS 400 N -1.67 0.21 0.23 1.61 5.02 -0.37 -4.48 118.16 118.72 2wgq n LYS 400 Ca 0.00 0.09 0.10 0.00 -2.02 0.00 0.00 58.31 56.47 2wgq n LYS 400 Cb 0.00 -0.87 0.54 0.00 -0.02 0.00 0.00 35.03 34.68 2wgq n LYS 400 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2wgq h ASP 401 N -0.39 0.00 -5.19 4.39 3.32 -1.31 -3.44 116.42 113.79 2wgq h ASP 401 Ca -0.04 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 2wgq h ASP 401 Cb 0.52 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.91 2wgq h ASP 401 CO -0.03 0.22 -0.65 0.00 -1.72 0.00 0.00 179.24 177.06 2wgq s ALA 402 N -3.91 0.37 0.73 3.45 0.00 -1.24 -4.99 121.76 116.18 2wgq s ALA 402 Ca -0.01 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 2wgq s ALA 402 Cb 0.12 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.55 2wgq s ALA 402 CO 0.63 -0.35 1.09 -1.25 0.00 0.00 0.00 175.76 175.88 2wgq s PRO 403 N -3.56 2.49 0.60 0.00 0.04 -1.26 -1.76 135.00 131.54 2wgq s PRO 403 Ca 0.04 1.22 0.30 0.00 0.04 0.00 0.00 61.00 62.60 2wgq s PRO 403 Cb 0.05 -1.92 1.71 0.00 0.04 0.00 0.00 34.50 34.38 2wgq s PRO 403 CO -0.09 -1.47 2.12 0.66 0.04 0.00 0.00 177.00 178.26 2wgq h SER 404 N -0.71 0.00 -0.40 6.66 4.64 -1.84 -0.79 113.55 121.11 2wgq h SER 404 Ca -0.45 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.77 2wgq h SER 404 Cb 1.23 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.26 2wgq h SER 404 CO 0.53 0.00 0.13 -0.46 -0.87 0.00 0.00 176.83 176.15 2wgq n ASN 405 N -3.74 3.56 -4.84 4.97 6.94 -1.18 -4.89 115.26 116.09 2wgq n ASN 405 Ca 0.01 -2.65 -0.32 0.00 -0.02 0.00 0.00 54.58 51.60 2wgq n ASN 405 Cb 0.29 -0.63 -0.03 0.00 -2.36 0.00 0.00 39.78 37.04 2wgq n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wgq s ALA 406 N -1.93 3.03 -0.15 -2.53 0.00 -0.30 -4.70 121.76 115.18 2wgq s ALA 406 Ca 0.31 0.23 -0.05 0.00 0.00 0.00 0.00 51.96 52.44 2wgq s ALA 406 Cb 0.24 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 2wgq s ALA 406 CO 0.08 -0.26 0.03 0.08 0.00 0.00 0.00 175.76 175.69 2wgq s VAL 407 N -2.55 4.52 -0.22 0.00 1.01 -0.03 -4.33 120.40 118.79 2wgq s VAL 407 Ca 0.60 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 2wgq s VAL 407 Cb -0.11 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 2wgq s VAL 407 CO 0.30 0.51 -0.04 -0.76 0.00 0.00 0.00 175.10 175.11 2wgq s LEU 408 N 0.01 2.90 0.18 3.92 1.43 -1.26 -0.48 118.68 125.37 2wgq s LEU 408 Ca 0.04 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 2wgq s LEU 408 Cb -0.13 -1.74 -0.08 0.00 0.03 0.00 0.00 46.19 44.28 2wgq s LEU 408 CO 0.01 -0.02 0.67 -0.76 0.23 0.00 0.00 176.35 176.49 2wgq s LEU 409 N 1.46 4.40 0.11 1.79 1.43 0.29 -4.74 118.68 123.42 2wgq s LEU 409 Ca 0.06 1.35 -0.15 0.00 -1.03 0.00 0.00 54.13 54.36 2wgq s LEU 409 Cb -0.14 -3.38 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 2wgq s LEU 409 CO -0.03 0.11 0.53 0.20 0.23 0.00 0.00 176.35 177.39 2wgq s ASN 410 N -1.51 6.86 0.05 2.29 0.01 -1.26 0.98 114.94 122.36 2wgq s ASN 410 Ca 0.39 1.09 0.04 0.00 -0.71 0.00 0.00 52.86 53.66 2wgq s ASN 410 Cb -0.18 -2.29 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 2wgq s ASN 410 CO 0.21 0.17 -0.11 -1.61 -1.51 0.00 0.00 177.10 174.24 2wgq s GLU 411 N -1.69 0.68 -0.11 -0.60 0.41 -0.95 -4.91 118.70 111.53 2wgq s GLU 411 Ca 0.34 -0.82 0.02 0.00 -0.41 0.00 0.00 54.97 54.10 2wgq s GLU 411 Cb -0.16 -0.58 -0.01 0.00 -1.78 0.00 0.00 34.13 31.59 2wgq s GLU 411 CO 0.18 0.13 -0.16 0.99 -0.49 0.00 0.00 175.26 175.91 2wgq s THR 412 N -1.23 2.82 0.11 3.63 2.01 -1.26 -0.46 115.64 121.26 2wgq s THR 412 Ca -0.05 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 2wgq s THR 412 Cb -0.09 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2wgq s THR 412 CO 0.01 0.54 0.08 0.27 -0.69 0.00 0.00 174.62 174.83 2wgq s ILE 413 N 0.13 0.13 0.25 1.82 -4.36 0.17 -4.90 121.20 114.44 2wgq s ILE 413 Ca -0.08 -1.76 -0.30 0.00 -0.26 0.00 0.00 60.65 58.25 2wgq s ILE 413 Cb -0.15 -1.85 -0.09 0.00 1.25 0.00 0.00 42.46 41.62 2wgq s ILE 413 CO 0.05 -0.58 1.02 0.00 0.24 0.00 0.00 174.94 175.68 2wgq s ALA 414 N -3.99 3.37 1.00 2.27 0.00 -1.26 0.67 121.76 123.82 2wgq s ALA 414 Ca 0.18 0.75 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 2wgq s ALA 414 Cb 0.07 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2wgq s ALA 414 CO -0.02 0.02 0.03 -0.40 0.00 0.00 0.00 175.76 175.39 2wgq n ASP 415 N 1.40 -0.08 -0.06 0.00 3.85 -0.28 -4.82 116.55 116.56 2wgq n ASP 415 Ca -0.01 -0.97 0.14 0.00 -0.71 0.00 0.00 54.79 53.23 2wgq n ASP 415 Cb 0.46 -0.02 0.61 0.00 -1.35 0.00 0.00 41.12 40.82 2wgq n ASP 415 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wgq n TYR 416 N -2.08 0.00 0.29 2.11 4.11 -1.26 -2.19 117.16 118.14 2wgq n TYR 416 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.02 2wgq n TYR 416 Cb 0.01 -0.26 0.21 0.00 -0.00 0.00 0.00 39.34 39.31 2wgq n TYR 416 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2wgq n THR 417 N -1.16 0.51 -1.06 -3.48 -2.24 -1.26 0.13 114.28 105.72 2wgq n THR 417 Ca 0.12 -0.76 -0.02 0.00 -2.27 0.00 0.00 64.05 61.13 2wgq n THR 417 Cb 0.28 0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 2wgq n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wgq n GLY 418 N 1.49 0.50 3.69 3.38 0.00 -0.93 -4.88 105.19 108.44 2wgq n GLY 418 Ca 0.19 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2wgq n GLY 418 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wgq s VAL 419 N -1.84 5.02 0.22 1.61 1.01 -1.26 -4.59 120.40 120.56 2wgq s VAL 419 Ca 0.00 1.35 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 2wgq s VAL 419 Cb 0.00 -4.01 -0.15 0.00 0.00 0.00 0.00 36.38 32.22 2wgq s VAL 419 CO 0.00 0.16 1.05 -2.65 0.00 0.00 0.00 175.10 173.67 2wgq n PRO 420 N 4.50 1.15 -4.72 2.72 -0.02 -1.26 -1.13 135.00 136.24 2wgq n PRO 420 Ca -0.01 0.41 -0.27 0.00 -2.02 0.00 0.00 63.50 61.61 2wgq n PRO 420 Cb 0.50 -1.81 -0.17 0.00 -0.02 0.00 0.00 33.50 32.00 2wgq n PRO 420 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wgq s MET 421 N -0.91 2.16 -0.26 -0.52 0.23 0.21 -4.77 119.30 115.44 2wgq s MET 421 Ca 0.66 -0.56 -0.19 0.00 -1.03 0.00 0.00 55.69 54.57 2wgq s MET 421 Cb -0.80 -1.74 -0.02 0.00 -1.53 0.00 0.00 34.83 30.74 2wgq s MET 421 CO 0.56 0.05 0.59 -2.00 -2.03 0.00 0.00 175.02 172.18 2wgq s GLU 422 N 0.65 4.08 -0.35 3.16 2.12 -1.26 -0.66 118.70 126.44 2wgq s GLU 422 Ca -0.14 0.44 -0.24 0.00 0.36 0.00 0.00 54.97 55.39 2wgq s GLU 422 Cb -0.16 -3.66 0.01 0.00 0.26 0.00 0.00 34.13 30.58 2wgq s GLU 422 CO 0.04 -0.40 0.81 0.42 -0.54 0.00 0.00 175.26 175.59 2wgq s ILE 423 N 2.44 4.72 0.32 -3.70 1.01 0.39 -4.97 121.20 121.41 2wgq s ILE 423 Ca 0.24 1.01 -0.28 0.00 0.00 0.00 0.00 60.65 61.62 2wgq s ILE 423 Cb -0.15 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 2wgq s ILE 423 CO 0.09 -0.41 1.18 -2.16 0.00 0.00 0.00 174.94 173.64 2wgq s PRO 424 N 3.13 4.46 -1.38 2.79 0.04 -1.26 -2.24 135.00 140.53 2wgq s PRO 424 Ca 0.33 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 63.26 2wgq s PRO 424 Cb -0.13 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.37 2wgq s PRO 424 CO 0.16 0.00 0.84 0.54 0.04 0.00 0.00 177.00 178.58 2wgq n ARG 425 N 0.88 -5.42 0.09 4.56 1.74 -1.22 -4.26 116.66 113.02 2wgq n ARG 425 Ca 0.00 0.64 -0.08 0.00 -0.77 0.00 0.00 57.85 57.64 2wgq n ARG 425 Cb 0.44 -5.36 -0.04 0.00 -1.02 0.00 0.00 32.46 26.48 2wgq n ARG 425 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wgq h ALA 426 N 0.91 0.46 -3.73 7.54 0.00 0.53 0.21 119.26 125.18 2wgq h ALA 426 Ca -0.60 -0.78 -0.26 0.00 0.00 0.00 0.00 54.91 53.27 2wgq h ALA 426 Cb 1.36 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.77 2wgq h ALA 426 CO 0.59 1.01 -0.73 0.42 0.00 0.00 0.00 179.25 180.54 2wgq s ILE 427 N -3.03 0.06 -0.14 0.00 1.01 -1.07 -4.41 121.20 113.63 2wgq s ILE 427 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.56 2wgq s ILE 427 Cb 0.10 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.45 2wgq s ILE 427 CO 0.83 0.03 0.07 0.00 0.00 0.00 0.00 174.94 175.86 2wgq s ALA 428 N 0.12 3.49 -0.16 9.38 0.00 0.39 0.11 121.76 135.09 2wgq s ALA 428 Ca -0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2wgq s ALA 428 Cb -0.02 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 2wgq s ALA 428 CO -0.00 0.40 -0.11 0.08 0.00 0.00 0.00 175.76 176.13 2wgq s VAL 429 N -0.33 3.14 -0.21 0.00 1.01 0.37 0.26 120.40 124.64 2wgq s VAL 429 Ca 0.09 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 2wgq s VAL 429 Cb -0.12 -2.35 0.06 0.00 0.00 0.00 0.00 36.38 33.97 2wgq s VAL 429 CO 0.02 0.50 0.54 0.72 0.00 0.00 0.00 175.10 176.87 2wgq s PHE 430 N 0.69 -0.66 0.43 5.22 -0.71 -0.60 -0.85 117.98 121.50 2wgq s PHE 430 Ca -0.05 1.51 -0.17 0.00 -1.04 0.00 0.00 56.93 57.18 2wgq s PHE 430 Cb -0.15 0.27 -0.09 0.00 -1.21 0.00 0.00 43.02 41.84 2wgq s PHE 430 CO 0.02 -0.33 0.89 -2.00 -1.34 0.00 0.00 175.22 172.47 2wgq s GLU 431 N 0.65 4.02 0.03 1.99 2.12 -1.26 -0.36 118.70 125.89 2wgq s GLU 431 Ca -0.03 0.87 -0.22 0.00 0.36 0.00 0.00 54.97 55.96 2wgq s GLU 431 Cb -0.05 -2.25 0.05 0.00 0.26 0.00 0.00 34.13 32.15 2wgq s GLU 431 CO -0.04 -0.08 0.50 -0.98 -0.54 0.00 0.00 175.26 174.12 2wgq s ARG 432 N -3.55 0.98 0.11 4.30 1.70 0.01 -4.94 118.95 117.56 2wgq s ARG 432 Ca 0.58 -0.19 -0.28 0.00 -0.47 0.00 0.00 55.73 55.37 2wgq s ARG 432 Cb -0.10 0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 34.67 2wgq s ARG 432 CO 0.23 -0.34 0.87 -0.47 -1.08 0.00 0.00 175.30 174.51 2wgq s TYR 433 N -2.19 3.82 -0.30 5.89 5.04 -1.26 -1.95 117.35 126.40 2wgq s TYR 433 Ca -0.07 1.69 0.19 0.00 -2.44 0.00 0.00 57.07 56.44 2wgq s TYR 433 Cb -0.01 -2.94 0.48 0.00 0.35 0.00 0.00 41.96 39.84 2wgq s TYR 433 CO 0.00 0.29 1.03 0.00 -1.34 0.00 0.00 175.55 175.53 2wgq n ALA 434 N 2.51 3.23 -0.31 3.97 0.00 0.07 -4.91 120.51 125.08 2wgq n ALA 434 Ca -0.01 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.37 2wgq n ALA 434 Cb 0.49 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2wgq n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wgq n GLY 435 N -0.32 -1.34 3.69 0.00 0.00 -1.26 -4.62 105.19 101.35 2wgq n GLY 435 Ca 0.11 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 2wgq n GLY 435 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wgq s PRO 436 N 0.00 4.40 0.15 1.61 0.05 -1.26 0.62 135.00 140.57 2wgq s PRO 436 Ca 0.00 1.58 -0.17 0.00 0.05 0.00 0.00 61.00 62.46 2wgq s PRO 436 Cb 0.00 -3.52 0.06 0.00 0.05 0.00 0.00 34.50 31.09 2wgq s PRO 436 CO 0.00 -0.35 1.72 1.49 0.05 0.00 0.00 177.00 179.91 2wgq h GLU 437 N 7.22 0.14 -2.55 4.56 4.57 -1.22 -3.42 114.58 123.88 2wgq h GLU 437 Ca -0.35 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 57.94 2wgq h GLU 437 Cb 1.17 -0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 29.63 2wgq h GLU 437 CO 0.85 0.09 0.40 1.52 -1.18 0.00 0.00 179.01 180.69 2wgq s TYR 438 N -6.18 -0.25 -0.02 0.92 -0.85 -1.22 -4.95 117.35 104.81 2wgq s TYR 438 Ca -0.13 -0.03 -0.24 0.00 -0.52 0.00 0.00 57.07 56.15 2wgq s TYR 438 Cb 0.12 0.62 0.05 0.00 0.38 0.00 0.00 41.96 43.13 2wgq s TYR 438 CO 0.70 -0.84 0.54 0.21 -1.52 0.00 0.00 175.55 174.64 2wgq s LYS 439 N -3.43 0.94 -0.20 -3.49 2.20 -1.26 -1.99 119.74 112.51 2wgq s LYS 439 Ca 0.09 0.02 -0.11 0.00 -0.36 0.00 0.00 55.97 55.60 2wgq s LYS 439 Cb -0.02 0.43 0.07 0.00 -1.51 0.00 0.00 37.83 36.80 2wgq s LYS 439 CO -0.02 -0.30 0.48 -1.58 -0.36 0.00 0.00 175.35 173.58 2wgq s HIS 440 N -1.52 -0.74 -0.63 4.03 2.46 0.72 -4.98 115.29 114.64 2wgq s HIS 440 Ca -0.10 1.52 -0.01 0.00 0.47 0.00 0.00 55.06 56.94 2wgq s HIS 440 Cb -0.02 0.37 0.16 0.00 -0.13 0.00 0.00 32.58 32.96 2wgq s HIS 440 CO 0.06 -0.40 0.42 -1.14 -2.47 0.00 0.00 174.74 171.21 2wgq s GLN 441 N 1.54 2.47 0.32 2.88 2.00 -1.26 -1.32 119.66 126.28 2wgq s GLN 441 Ca -0.09 -2.67 -0.29 0.00 -2.00 0.00 0.00 55.36 50.31 2wgq s GLN 441 Cb -0.08 -3.63 -0.10 0.00 0.80 0.00 0.00 33.01 30.01 2wgq s GLN 441 CO -0.15 -1.17 1.28 -2.00 -0.50 0.00 0.00 175.29 172.75 2wgq s GLU 442 N -0.32 4.39 -0.17 1.67 2.56 -1.26 -4.89 118.70 120.67 2wgq s GLU 442 Ca 0.18 2.16 -0.32 0.00 0.00 0.00 0.00 54.97 57.00 2wgq s GLU 442 Cb -0.20 -3.09 -0.09 0.00 2.00 0.00 0.00 34.13 32.75 2wgq s GLU 442 CO -0.04 -0.14 2.08 -0.12 -0.56 0.00 0.00 175.26 176.48 2wgq n MET 443 N 0.90 1.96 -1.21 4.30 0.00 -1.26 -2.26 117.12 119.55 2wgq n MET 443 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 57.70 58.33 2wgq n MET 443 Cb 0.42 -2.86 0.00 0.00 0.00 0.00 0.00 33.22 30.78 2wgq n MET 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wgq n GLY 444 N 5.36 0.39 3.42 -5.12 0.00 -1.26 -5.06 105.19 102.92 2wgq n GLY 444 Ca 0.29 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 2wgq n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wgq s GLN 445 N -2.42 1.54 0.49 1.61 -1.52 -0.96 -5.11 119.66 113.29 2wgq s GLN 445 Ca 0.00 -1.80 -0.24 0.00 -1.95 0.00 0.00 55.36 51.37 2wgq s GLN 445 Cb 0.00 -0.99 -0.07 0.00 -0.22 0.00 0.00 33.01 31.73 2wgq s GLN 445 CO 0.00 -0.05 1.41 -2.30 -0.25 0.00 0.00 175.29 174.11 2wgq n PRO 446 N -0.59 2.06 -2.23 2.91 -0.02 -1.26 -4.74 135.00 131.13 2wgq n PRO 446 Ca -0.05 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 2wgq n PRO 446 Cb 0.64 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2wgq n PRO 446 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2wgq s ASN 447 N -0.62 5.68 -0.16 2.55 3.84 -1.26 -4.62 114.94 120.35 2wgq s ASN 447 Ca 0.65 2.21 0.01 0.00 0.21 0.00 0.00 52.86 55.94 2wgq s ASN 447 Cb -0.44 -2.58 0.02 0.00 -0.55 0.00 0.00 41.25 37.70 2wgq s ASN 447 CO 0.55 -1.25 -0.19 -0.69 -2.79 0.00 0.00 177.10 172.73 2wgq s VAL 448 N -1.74 1.91 -0.14 -5.21 1.01 -0.43 -5.02 120.40 110.79 2wgq s VAL 448 Ca 0.73 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 2wgq s VAL 448 Cb -0.25 -1.74 0.06 0.00 0.00 0.00 0.00 36.38 34.45 2wgq s VAL 448 CO 0.28 0.52 0.62 -0.94 0.00 0.00 0.00 175.10 175.57 2wgq s SER 449 N 1.28 -0.61 0.23 3.32 1.04 -1.26 -0.20 113.70 117.50 2wgq s SER 449 Ca 0.03 0.91 0.08 0.00 0.48 0.00 0.00 55.95 57.45 2wgq s SER 449 Cb -0.13 0.88 -0.05 0.00 0.10 0.00 0.00 66.02 66.81 2wgq s SER 449 CO -0.11 -0.40 -0.12 0.42 0.98 0.00 0.00 173.24 174.01 2wgq s THR 450 N -0.48 1.74 0.15 2.02 -4.23 -0.84 -5.01 115.64 109.00 2wgq s THR 450 Ca -0.06 -2.20 -0.07 0.00 -1.18 0.00 0.00 61.69 58.19 2wgq s THR 450 Cb -0.03 -2.17 -0.06 0.00 1.34 0.00 0.00 72.50 71.58 2wgq s THR 450 CO 0.05 -0.50 0.42 -1.83 -0.54 0.00 0.00 174.62 172.22 2wgq s GLU 451 N -3.66 3.68 -0.09 3.99 -1.05 -1.26 -0.98 118.70 119.33 2wgq s GLU 451 Ca 0.25 0.03 -0.15 0.00 -0.15 0.00 0.00 54.97 54.95 2wgq s GLU 451 Cb 0.00 -2.82 -0.05 0.00 -0.44 0.00 0.00 34.13 30.82 2wgq s GLU 451 CO 0.09 0.45 0.39 0.50 0.95 0.00 0.00 175.26 177.63 2wgq s ARG 452 N -2.58 4.14 -0.09 -4.83 3.52 0.20 -4.18 118.95 115.14 2wgq s ARG 452 Ca 0.41 0.32 0.04 0.00 -0.13 0.00 0.00 55.73 56.37 2wgq s ARG 452 Cb -0.12 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 2wgq s ARG 452 CO 0.23 0.39 -0.22 1.03 -0.81 0.00 0.00 175.30 175.91 2wgq s ARG 453 N -0.07 2.75 0.04 5.12 1.81 -1.26 -0.75 118.95 126.58 2wgq s ARG 453 Ca 0.22 -0.82 0.05 0.00 -1.72 0.00 0.00 55.73 53.47 2wgq s ARG 453 Cb -0.15 -2.14 -0.03 0.00 -0.45 0.00 0.00 34.95 32.18 2wgq s ARG 453 CO 0.09 0.20 -0.11 -1.21 -0.68 0.00 0.00 175.30 173.59 2wgq s GLU 454 N 0.28 2.32 -0.24 3.54 2.02 -0.82 -3.19 118.70 122.61 2wgq s GLU 454 Ca -0.15 -0.86 -0.08 0.00 0.02 0.00 0.00 54.97 53.89 2wgq s GLU 454 Cb -0.17 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 2wgq s GLU 454 CO 0.07 0.56 0.10 -1.17 0.02 0.00 0.00 175.26 174.84 2wgq s LEU 455 N -1.58 3.70 -0.13 1.80 2.96 -0.87 -0.81 118.68 123.74 2wgq s LEU 455 Ca 0.17 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 2wgq s LEU 455 Cb -0.11 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2wgq s LEU 455 CO 0.08 0.02 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.40 2wgq s VAL 456 N 1.27 3.80 -0.24 1.68 1.01 0.52 0.75 120.40 129.20 2wgq s VAL 456 Ca 0.05 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2wgq s VAL 456 Cb -0.14 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2wgq s VAL 456 CO 0.04 0.52 0.03 -0.69 0.00 0.00 0.00 175.10 175.01 2wgq s VAL 457 N 0.10 4.04 -0.04 2.92 1.01 0.26 -1.56 120.40 127.13 2wgq s VAL 457 Ca -0.01 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2wgq s VAL 457 Cb -0.14 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2wgq s VAL 457 CO 0.03 0.37 -0.21 -0.60 0.00 0.00 0.00 175.10 174.69 2wgq s ARG 458 N 1.51 2.08 -0.02 2.72 3.52 0.14 0.02 118.95 128.91 2wgq s ARG 458 Ca 0.06 -0.77 -0.01 0.00 -0.13 0.00 0.00 55.73 54.88 2wgq s ARG 458 Cb -0.15 -1.83 0.02 0.00 -1.56 0.00 0.00 34.95 31.43 2wgq s ARG 458 CO 0.02 0.35 0.05 -0.46 -0.81 0.00 0.00 175.30 174.45 2wgq s TRP 459 N -0.17 -0.03 -0.03 5.12 -0.00 0.45 -0.46 118.94 123.81 2wgq s TRP 459 Ca -0.01 0.16 0.07 0.00 -0.00 0.00 0.00 56.10 56.32 2wgq s TRP 459 Cb -0.12 -0.08 -0.02 0.00 -0.00 0.00 0.00 33.47 33.25 2wgq s TRP 459 CO 0.02 -0.06 -0.24 0.42 -0.00 0.00 0.00 176.95 177.09 2wgq s ILE 460 N 0.52 1.92 -0.02 5.86 1.01 -1.26 0.21 121.20 129.44 2wgq s ILE 460 Ca -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.58 2wgq s ILE 460 Cb -0.06 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.83 2wgq s ILE 460 CO -0.02 0.54 0.01 -0.55 0.00 0.00 0.00 174.94 174.93 2wgq s SER 461 N -0.43 0.25 -0.17 3.58 0.15 -0.47 -0.39 113.70 116.23 2wgq s SER 461 Ca 0.05 0.00 -0.02 0.00 0.70 0.00 0.00 55.95 56.68 2wgq s SER 461 Cb -0.11 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2wgq s SER 461 CO 0.00 -0.11 -0.07 -0.89 1.20 0.00 0.00 173.24 173.38 2wgq s THR 462 N 0.99 3.42 -0.45 6.45 2.01 -1.18 -1.55 115.64 125.32 2wgq s THR 462 Ca -0.09 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.43 2wgq s THR 462 Cb -0.13 -2.49 0.12 0.00 0.01 0.00 0.00 72.50 70.01 2wgq s THR 462 CO -0.02 0.48 0.19 -0.69 -0.69 0.00 0.00 174.62 173.89 2wgq s VAL 463 N 0.73 2.25 0.00 3.82 1.01 -0.89 -4.82 120.40 122.49 2wgq s VAL 463 Ca -0.03 -2.86 0.00 0.00 0.00 0.00 0.00 61.98 59.09 2wgq s VAL 463 Cb -0.15 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2wgq s VAL 463 CO 0.02 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 174.97 2wgq n GLY 464 N 3.56 1.63 0.09 4.51 0.00 -1.26 -3.69 105.19 110.03 2wgq n GLY 464 Ca 0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2wgq n GLY 464 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wgq n ASN 465 N 9.36 0.70 -4.92 1.61 0.23 -1.26 -4.95 115.26 116.03 2wgq n ASN 465 Ca 0.00 0.27 -0.29 0.00 -0.53 0.00 0.00 54.58 54.03 2wgq n ASN 465 Cb 0.00 0.20 -0.04 0.00 -2.08 0.00 0.00 39.78 37.87 2wgq n ASN 465 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2wgq s TYR 466 N -2.56 3.49 -0.08 -2.53 4.12 -1.24 -1.38 117.35 117.17 2wgq s TYR 466 Ca -0.08 0.36 0.05 0.00 0.02 0.00 0.00 57.07 57.42 2wgq s TYR 466 Cb 0.07 -1.86 -0.00 0.00 -1.52 0.00 0.00 41.96 38.65 2wgq s TYR 466 CO 0.82 0.46 -0.23 -0.51 0.02 0.00 0.00 175.55 176.10 2wgq s ASP 467 N -2.81 2.96 -0.07 2.29 1.11 -0.35 -2.11 116.67 117.70 2wgq s ASP 467 Ca 0.38 -0.52 0.06 0.00 0.18 0.00 0.00 52.55 52.65 2wgq s ASP 467 Cb -0.12 -1.11 -0.01 0.00 1.07 0.00 0.00 42.92 42.75 2wgq s ASP 467 CO 0.27 0.19 -0.24 -0.31 1.18 0.00 0.00 175.17 176.26 2wgq s TYR 468 N 0.14 2.41 -0.13 4.23 2.02 -0.60 -1.10 117.35 124.32 2wgq s TYR 468 Ca -0.12 -0.77 0.01 0.00 -0.37 0.00 0.00 57.07 55.81 2wgq s TYR 468 Cb -0.16 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 2wgq s TYR 468 CO 0.06 -0.26 -0.16 0.42 -1.57 0.00 0.00 175.55 174.05 2wgq s ILE 469 N -0.04 2.75 -0.13 2.71 1.01 0.76 -1.37 121.20 126.89 2wgq s ILE 469 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2wgq s ILE 469 Cb -0.14 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.18 2wgq s ILE 469 CO 0.05 0.53 -0.20 -0.36 0.00 0.00 0.00 174.94 174.96 2wgq s PHE 470 N 0.53 2.68 -0.20 3.97 0.40 0.13 -0.00 117.98 125.49 2wgq s PHE 470 Ca -0.10 -1.06 -0.02 0.00 -0.60 0.00 0.00 56.93 55.14 2wgq s PHE 470 Cb -0.16 -1.80 -0.00 0.00 0.51 0.00 0.00 43.02 41.56 2wgq s PHE 470 CO 0.04 -0.45 -0.09 -0.51 0.70 0.00 0.00 175.22 174.91 2wgq s ASP 471 N 0.58 4.03 -0.32 1.36 1.01 -0.49 -0.41 116.67 122.44 2wgq s ASP 471 Ca -0.11 -0.43 -0.11 0.00 0.71 0.00 0.00 52.55 52.60 2wgq s ASP 471 Cb -0.16 -1.67 -0.02 0.00 1.01 0.00 0.00 42.92 42.08 2wgq s ASP 471 CO 0.03 0.01 0.20 0.26 0.21 0.00 0.00 175.17 175.88 2wgq s TRP 472 N 1.29 3.21 -0.24 4.23 0.52 0.10 -1.76 118.94 126.28 2wgq s TRP 472 Ca 0.03 -0.27 -0.01 0.00 0.02 0.00 0.00 56.10 55.87 2wgq s TRP 472 Cb -0.14 -2.41 0.02 0.00 -1.15 0.00 0.00 33.47 29.79 2wgq s TRP 472 CO -0.04 -0.36 -0.07 0.42 0.02 0.00 0.00 176.95 176.92 2wgq s ILE 473 N 1.69 2.84 -0.51 2.03 1.01 0.43 0.89 121.20 129.58 2wgq s ILE 473 Ca 0.06 -1.00 -0.14 0.00 0.00 0.00 0.00 60.65 59.57 2wgq s ILE 473 Cb -0.17 -2.42 0.12 0.00 0.01 0.00 0.00 42.46 39.99 2wgq s ILE 473 CO 0.09 0.23 0.43 -0.36 0.00 0.00 0.00 174.94 175.33 2wgq s PHE 474 N 1.33 3.30 0.43 3.97 0.40 0.23 0.37 117.98 128.01 2wgq s PHE 474 Ca 0.01 -1.43 -0.24 0.00 -0.60 0.00 0.00 56.93 54.66 2wgq s PHE 474 Cb -0.16 -3.59 -0.08 0.00 0.51 0.00 0.00 43.02 39.69 2wgq s PHE 474 CO -0.05 -0.98 1.22 -1.01 0.70 0.00 0.00 175.22 175.10 2wgq s HIS 475 N 1.53 2.88 0.45 0.36 3.76 -0.43 -2.05 115.29 121.78 2wgq s HIS 475 Ca 0.04 1.50 0.19 0.00 -0.15 0.00 0.00 55.06 56.63 2wgq s HIS 475 Cb -0.28 -3.50 1.18 0.00 1.11 0.00 0.00 32.58 31.09 2wgq s HIS 475 CO 0.02 -1.71 2.03 1.05 -0.85 0.00 0.00 174.74 175.29 2wgq h GLU 476 N 2.39 0.00 -0.06 1.40 4.11 -1.84 -2.69 114.58 117.88 2wgq h GLU 476 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2wgq h GLU 476 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2wgq h GLU 476 CO 0.61 0.16 0.00 0.27 0.07 0.00 0.00 179.01 180.12 2wgq n ASN 477 N -4.10 0.40 0.00 3.06 2.04 -1.26 -4.85 115.26 110.54 2wgq n ASN 477 Ca -0.02 -1.79 0.00 0.00 -0.44 0.00 0.00 54.58 52.33 2wgq n ASN 477 Cb 0.23 -0.04 0.00 0.00 -2.53 0.00 0.00 39.78 37.44 2wgq n ASN 477 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wgq n GLY 478 N 0.72 2.63 3.76 4.83 0.00 -1.01 -4.75 105.19 111.37 2wgq n GLY 478 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2wgq n GLY 478 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wgq s THR 479 N -2.47 3.29 -0.10 2.61 2.01 -1.26 -4.45 115.64 115.27 2wgq s THR 479 Ca 0.00 1.30 0.03 0.00 0.31 0.00 0.00 61.69 63.34 2wgq s THR 479 Cb 0.00 -3.83 -0.00 0.00 0.01 0.00 0.00 72.50 68.68 2wgq s THR 479 CO 0.00 0.31 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.39 2wgq s ILE 480 N -1.13 2.21 0.04 1.82 1.01 0.85 -1.32 121.20 124.68 2wgq s ILE 480 Ca 0.46 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2wgq s ILE 480 Cb -0.34 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2wgq s ILE 480 CO 0.44 0.55 0.04 -0.83 0.00 0.00 0.00 174.94 175.15 2wgq s GLY 481 N 0.34 1.96 -0.09 6.18 0.00 0.16 -0.92 107.32 114.95 2wgq s GLY 481 Ca -0.18 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 2wgq s GLY 481 CO 0.09 -0.91 -0.03 -0.42 0.00 0.00 0.00 173.10 171.82 2wgq s ILE 482 N -1.24 0.66 0.00 0.90 1.01 -0.69 -0.43 121.20 121.41 2wgq s ILE 482 Ca 0.24 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.90 2wgq s ILE 482 Cb -0.12 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 2wgq s ILE 482 CO 0.16 0.31 -0.21 -1.81 0.00 0.00 0.00 174.94 173.39 2wgq s ASP 483 N 1.84 2.50 -0.09 3.58 1.11 -0.73 -0.48 116.67 124.40 2wgq s ASP 483 Ca 0.05 -0.43 0.04 0.00 0.18 0.00 0.00 52.55 52.38 2wgq s ASP 483 Cb -0.12 -0.25 -0.01 0.00 1.07 0.00 0.00 42.92 43.60 2wgq s ASP 483 CO -0.06 0.23 -0.21 0.00 1.18 0.00 0.00 175.17 176.30 2wgq s ALA 484 N -0.60 2.31 0.17 5.23 0.00 -0.95 -1.39 121.76 126.54 2wgq s ALA 484 Ca 0.08 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.16 2wgq s ALA 484 Cb -0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 2wgq s ALA 484 CO 0.00 0.35 -0.18 0.20 0.00 0.00 0.00 175.76 176.13 2wgq s GLY 485 N 0.08 1.71 -0.02 0.00 0.00 1.00 -1.71 107.32 108.38 2wgq s GLY 485 Ca -0.09 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.13 2wgq s GLY 485 CO 0.06 -1.54 -0.09 0.00 0.00 0.00 0.00 173.10 171.53 2wgq s ALA 486 N -1.58 0.83 0.00 3.20 0.00 -0.18 -0.17 121.76 123.86 2wgq s ALA 486 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2wgq s ALA 486 Cb -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2wgq s ALA 486 CO 0.12 0.15 0.00 -2.37 0.00 0.00 0.00 175.76 173.66 2wgq n THR 487 N 3.19 0.00 -2.29 0.00 5.66 -0.25 -0.49 114.28 120.10 2wgq n THR 487 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2wgq n THR 487 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 2wgq n THR 487 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wgq n GLY 488 N 0.00 -0.21 3.38 1.09 0.00 -1.24 -1.22 105.19 107.00 2wgq n GLY 488 Ca 0.00 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 2wgq n GLY 488 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wgq s ILE 489 N 0.00 3.11 0.44 -0.61 -1.09 -0.48 -0.40 121.20 122.18 2wgq s ILE 489 Ca 0.00 -0.65 -0.23 0.00 -2.23 0.00 0.00 60.65 57.55 2wgq s ILE 489 Cb 0.00 -2.30 -0.08 0.00 -1.58 0.00 0.00 42.46 38.50 2wgq s ILE 489 CO 0.00 0.53 1.10 -1.61 -1.23 0.00 0.00 174.94 173.72 2wgq s GLU 490 N 0.30 3.90 -0.43 2.79 2.02 -1.26 -4.24 118.70 121.78 2wgq s GLU 490 Ca -0.10 1.60 -0.29 0.00 0.02 0.00 0.00 54.97 56.20 2wgq s GLU 490 Cb -0.16 -2.39 0.02 0.00 0.10 0.00 0.00 34.13 31.71 2wgq s GLU 490 CO 0.05 -0.39 1.19 0.00 0.02 0.00 0.00 175.26 176.14 2wgq s ALA 491 N -1.67 3.20 0.06 5.21 0.00 -1.26 -4.95 121.76 122.35 2wgq s ALA 491 Ca 0.62 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.33 2wgq s ALA 491 Cb -0.24 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 2wgq s ALA 491 CO 0.29 -2.13 -0.10 0.14 0.00 0.00 0.00 175.76 173.95 2wgq s VAL 492 N 4.52 3.36 -0.06 0.00 -7.23 -1.26 -3.88 120.40 115.84 2wgq s VAL 492 Ca 0.51 -1.09 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 2wgq s VAL 492 Cb -0.10 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 2wgq s VAL 492 CO 0.29 0.25 0.34 -0.75 -0.31 0.00 0.00 175.10 174.91 2wgq s LYS 493 N -1.81 3.92 0.05 4.82 2.20 0.17 -4.76 119.74 124.32 2wgq s LYS 493 Ca 0.19 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.75 2wgq s LYS 493 Cb -0.11 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 2wgq s LYS 493 CO 0.10 0.59 0.95 0.20 -0.36 0.00 0.00 175.35 176.83 2wgq s GLY 494 N -0.67 2.94 0.05 5.54 0.00 -1.26 -1.59 107.32 112.33 2wgq s GLY 494 Ca 0.21 0.53 -0.03 0.00 0.00 0.00 0.00 44.72 45.42 2wgq s GLY 494 CO 0.10 1.55 0.04 -1.34 0.00 0.00 0.00 173.10 173.44 2wgq s VAL 495 N 0.52 0.17 0.08 1.40 -7.23 -0.47 -4.86 120.40 110.00 2wgq s VAL 495 Ca 0.49 -1.37 0.17 0.00 -1.81 0.00 0.00 61.98 59.46 2wgq s VAL 495 Cb -0.22 -1.13 0.09 0.00 0.56 0.00 0.00 36.38 35.68 2wgq s VAL 495 CO 0.28 -0.76 1.62 0.11 -0.31 0.00 0.00 175.10 176.04 2wgq h LYS 496 N 3.46 0.00 -6.60 4.82 1.57 -1.92 -3.39 116.57 114.50 2wgq h LYS 496 Ca -0.33 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.92 2wgq h LYS 496 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.49 2wgq h LYS 496 CO 0.56 0.46 0.55 0.00 -0.57 0.00 0.00 179.45 180.45 2wgq s ALA 497 N -3.36 3.42 -0.16 3.86 0.00 -1.26 -4.75 121.76 119.49 2wgq s ALA 497 Ca 0.01 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 52.65 2wgq s ALA 497 Cb 0.10 -3.42 -0.23 0.00 0.00 0.00 0.00 23.12 19.57 2wgq s ALA 497 CO 0.71 -0.37 0.46 0.87 0.00 0.00 0.00 175.76 177.44 2wgq h LYS 498 N 5.74 0.05 -5.43 0.00 1.57 -1.92 0.27 116.57 116.86 2wgq h LYS 498 Ca -0.43 -0.09 -0.53 0.00 -1.87 0.00 0.00 60.65 57.72 2wgq h LYS 498 Cb 1.21 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.42 2wgq h LYS 498 CO 0.77 1.04 -0.62 0.95 -0.57 0.00 0.00 179.45 181.02 2wgq s THR 499 N -2.34 1.55 -1.62 -0.16 -4.23 -1.26 -4.07 115.64 103.51 2wgq s THR 499 Ca -0.24 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.34 2wgq s THR 499 Cb 0.03 -2.82 0.18 0.00 1.34 0.00 0.00 72.50 71.23 2wgq s THR 499 CO 0.66 -0.04 1.09 0.23 -0.54 0.00 0.00 174.62 176.02 2wgq n MET 500 N -0.77 0.17 0.00 3.99 2.81 -1.26 -1.44 117.12 120.63 2wgq n MET 500 Ca -0.04 0.14 0.12 0.00 -1.81 0.00 0.00 57.70 56.12 2wgq n MET 500 Cb 0.66 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.98 2wgq n MET 500 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2wgq n HIS 501 N -1.19 0.00 -1.82 2.03 8.25 -1.26 -4.78 115.22 116.45 2wgq n HIS 501 Ca 0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 2wgq n HIS 501 Cb 0.06 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.00 2wgq n HIS 501 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wgq s ASP 502 N -2.78 5.69 0.40 0.41 1.01 -0.52 -4.94 116.67 115.94 2wgq s ASP 502 Ca 0.17 1.66 0.07 0.00 0.71 0.00 0.00 52.55 55.17 2wgq s ASP 502 Cb 0.18 -2.51 0.81 0.00 1.01 0.00 0.00 42.92 42.42 2wgq s ASP 502 CO 0.62 -1.23 2.00 1.05 0.21 0.00 0.00 175.17 177.81 2wgq h GLU 503 N -0.16 0.44 -0.00 8.23 4.11 -1.91 -2.47 114.58 122.82 2wgq h GLU 503 Ca -0.45 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2wgq h GLU 503 Cb 1.21 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2wgq h GLU 503 CO 0.58 0.38 -0.12 0.25 0.07 0.00 0.00 179.01 180.17 2wgq n THR 504 N -4.40 0.00 -0.20 -1.06 -2.24 -1.26 -4.50 114.28 100.63 2wgq n THR 504 Ca 0.02 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 2wgq n THR 504 Cb 0.14 -0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.08 2wgq n THR 504 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wgq h ALA 505 N 3.34 -0.58 -0.64 6.98 0.00 -1.72 0.33 119.26 126.97 2wgq h ALA 505 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2wgq h ALA 505 Cb 0.40 1.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2wgq h ALA 505 CO 0.00 -0.95 0.43 -0.22 0.00 0.00 0.00 179.25 178.50 2wgq h LYS 506 N -0.29 0.55 0.10 0.00 1.63 -1.82 0.17 116.57 116.91 2wgq h LYS 506 Ca 0.13 -0.03 -0.30 0.00 -0.85 0.00 0.00 60.65 59.59 2wgq h LYS 506 Cb 0.56 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2wgq h LYS 506 CO -0.67 0.36 -1.50 -0.44 -3.45 0.00 0.00 179.45 173.75 2wgq h ASP 507 N 0.56 0.34 -0.45 4.20 3.32 -1.57 -2.58 116.42 120.24 2wgq h ASP 507 Ca 0.29 -0.47 -0.12 0.00 0.02 0.00 0.00 57.03 56.75 2wgq h ASP 507 Cb 0.39 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2wgq h ASP 507 CO -0.09 1.39 -0.17 0.44 -1.72 0.00 0.00 179.24 179.10 2wgq h ASP 508 N 0.06 0.93 -0.06 6.45 3.32 -0.29 -3.22 116.42 123.62 2wgq h ASP 508 Ca -0.23 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2wgq h ASP 508 Cb 2.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 41.29 2wgq h ASP 508 CO 0.16 1.11 0.00 0.35 -1.72 0.00 0.00 179.24 179.13 2wgq n THR 509 N -4.20 0.06 -0.07 0.35 -2.24 0.53 -4.14 114.28 104.57 2wgq n THR 509 Ca -0.00 -0.25 0.23 0.00 -2.27 0.00 0.00 64.05 61.75 2wgq n THR 509 Cb 0.42 0.37 0.69 0.00 -2.10 0.00 0.00 70.33 69.71 2wgq n THR 509 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2wgq h ARG 510 N 2.07 0.02 -0.03 -0.78 2.43 -1.46 -2.73 114.38 113.90 2wgq h ARG 510 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wgq h ARG 510 Cb 0.44 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2wgq h ARG 510 CO 0.00 0.01 0.00 0.66 -1.51 0.00 0.00 179.97 179.13 2wgq n TYR 511 N -4.35 0.03 -3.77 2.20 4.01 -1.26 -5.06 117.16 108.97 2wgq n TYR 511 Ca 0.13 -0.10 0.03 0.00 -0.16 0.00 0.00 57.90 57.79 2wgq n TYR 511 Cb 0.72 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 2wgq n TYR 511 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2wgq s GLY 512 N -0.45 -0.31 0.24 2.72 0.00 -1.03 -0.72 107.32 107.77 2wgq s GLY 512 Ca 0.05 0.46 -0.24 0.00 0.00 0.00 0.00 44.72 44.99 2wgq s GLY 512 CO 0.05 2.66 0.83 -1.59 0.00 0.00 0.00 173.10 175.05 2wgq s THR 513 N -2.17 4.35 -0.70 0.90 2.01 -1.23 -4.24 115.64 114.55 2wgq s THR 513 Ca 0.21 1.65 -0.27 0.00 0.31 0.00 0.00 61.69 63.60 2wgq s THR 513 Cb 0.03 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.52 2wgq s THR 513 CO -0.03 0.29 1.51 -0.22 -0.69 0.00 0.00 174.62 175.48 2wgq s LEU 514 N -1.71 3.22 0.00 4.42 2.96 -1.26 -0.42 118.68 125.88 2wgq s LEU 514 Ca 0.43 -0.18 0.22 0.00 -0.22 0.00 0.00 54.13 54.38 2wgq s LEU 514 Cb -0.20 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 2wgq s LEU 514 CO 0.24 -2.05 1.01 2.30 -1.32 0.00 0.00 176.35 176.53 2wgq n ILE 515 N 6.73 0.01 -3.62 6.68 -5.35 -0.65 -4.80 119.36 118.36 2wgq n ILE 515 Ca 0.11 -0.03 -0.10 0.00 -0.27 0.00 0.00 62.75 62.46 2wgq n ILE 515 Cb 0.50 0.74 -0.02 0.00 -1.74 0.00 0.00 39.64 39.12 2wgq n ILE 515 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wgq s ASP 516 N -3.12 -0.43 0.04 7.28 -1.08 -1.10 -4.51 116.67 113.76 2wgq s ASP 516 Ca 0.08 -0.28 -0.38 0.00 -0.52 0.00 0.00 52.55 51.45 2wgq s ASP 516 Cb 0.16 0.66 -0.18 0.00 -1.46 0.00 0.00 42.92 42.10 2wgq s ASP 516 CO 0.83 -1.14 1.27 1.41 0.52 0.00 0.00 175.17 178.06 2wgq n HIS 517 N -0.41 1.25 -0.85 -5.34 8.25 -1.26 -1.37 115.22 115.48 2wgq n HIS 517 Ca -0.11 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 2wgq n HIS 517 Cb 0.62 -2.26 0.00 0.00 1.12 0.00 0.00 29.99 29.48 2wgq n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wgq n ASN 518 N 2.29 -3.78 -4.06 0.41 4.13 0.95 -4.91 115.26 110.29 2wgq n ASN 518 Ca 0.19 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.16 2wgq n ASN 518 Cb 0.15 -2.86 -0.17 0.00 -1.54 0.00 0.00 39.78 35.37 2wgq n ASN 518 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wgq s ILE 519 N -1.18 1.54 -0.11 2.41 -1.09 -0.47 -1.37 121.20 120.92 2wgq s ILE 519 Ca 0.00 -0.67 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 2wgq s ILE 519 Cb 0.00 -1.41 0.00 0.00 -1.58 0.00 0.00 42.46 39.48 2wgq s ILE 519 CO 0.00 0.45 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.25 2wgq s VAL 520 N 1.00 1.97 -1.15 2.92 1.01 -0.62 -1.64 120.40 123.88 2wgq s VAL 520 Ca -0.06 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 2wgq s VAL 520 Cb -0.15 -1.72 0.10 0.00 0.00 0.00 0.00 36.38 34.61 2wgq s VAL 520 CO -0.02 0.54 1.50 -0.83 0.00 0.00 0.00 175.10 176.29 2wgq s GLY 521 N 0.52 1.78 -0.02 4.51 0.00 0.44 -0.65 107.32 113.90 2wgq s GLY 521 Ca -0.15 -2.85 -0.40 0.00 0.00 0.00 0.00 44.72 41.33 2wgq s GLY 521 CO 0.05 2.45 1.20 2.41 0.00 0.00 0.00 173.10 179.21 2wgq n THR 522 N 5.95 0.01 -1.89 0.90 -1.04 -1.25 -3.57 114.28 113.38 2wgq n THR 522 Ca 0.38 -0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 62.02 2wgq n THR 522 Cb 0.47 -0.28 0.04 0.00 -1.82 0.00 0.00 70.33 68.74 2wgq n THR 522 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2wgq s THR 523 N 0.45 2.33 0.00 12.58 2.01 0.11 -4.87 115.64 128.25 2wgq s THR 523 Ca 0.91 0.23 0.00 0.00 0.31 0.00 0.00 61.69 63.13 2wgq s THR 523 Cb -1.20 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 68.21 2wgq s THR 523 CO 0.56 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.47 2wgq n HIS 524 N -1.35 -0.70 -4.35 4.92 1.44 -1.13 -2.85 115.22 111.20 2wgq n HIS 524 Ca 0.12 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.60 2wgq n HIS 524 Cb 0.47 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.47 2wgq n HIS 524 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2wgq s GLN 525 N -1.87 1.31 -0.22 -1.40 -0.21 -0.85 0.10 119.66 116.51 2wgq s GLN 525 Ca 0.00 -1.40 0.02 0.00 0.02 0.00 0.00 55.36 54.00 2wgq s GLN 525 Cb 0.00 -1.47 0.04 0.00 1.00 0.00 0.00 33.01 32.58 2wgq s GLN 525 CO 0.00 0.31 -0.16 -1.01 -2.12 0.00 0.00 175.29 172.31 2wgq s HIS 526 N -1.82 3.00 -0.23 0.91 3.76 -0.69 -3.35 115.29 116.87 2wgq s HIS 526 Ca 0.16 -1.96 0.00 0.00 -0.15 0.00 0.00 55.06 53.10 2wgq s HIS 526 Cb -0.07 -1.92 0.06 0.00 1.11 0.00 0.00 32.58 31.76 2wgq s HIS 526 CO 0.07 -0.84 -0.03 0.42 -0.85 0.00 0.00 174.74 173.51 2wgq s ILE 527 N 1.20 1.32 0.13 0.60 1.01 -0.37 0.44 121.20 125.53 2wgq s ILE 527 Ca -0.01 -1.12 0.04 0.00 0.00 0.00 0.00 60.65 59.56 2wgq s ILE 527 Cb -0.16 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2wgq s ILE 527 CO -0.09 -0.16 0.12 -0.31 0.00 0.00 0.00 174.94 174.50 2wgq s TYR 528 N 1.49 3.19 -0.01 3.97 1.51 0.18 -0.97 117.35 126.71 2wgq s TYR 528 Ca -0.04 0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 2wgq s TYR 528 Cb -0.18 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 2wgq s TYR 528 CO -0.07 0.52 -0.01 1.21 -1.11 0.00 0.00 175.55 176.09 2wgq s ASN 529 N -2.80 0.28 -0.11 2.29 2.47 -0.11 -0.90 114.94 116.06 2wgq s ASN 529 Ca 0.31 -0.03 0.01 0.00 0.42 0.00 0.00 52.86 53.57 2wgq s ASN 529 Cb -0.11 -0.08 -0.02 0.00 -1.45 0.00 0.00 41.25 39.59 2wgq s ASN 529 CO 0.23 -0.02 -0.15 -0.36 -3.72 0.00 0.00 177.10 173.08 2wgq s PHE 530 N 0.34 2.74 -0.35 0.43 0.08 0.26 -0.27 117.98 121.21 2wgq s PHE 530 Ca -0.03 -0.59 -0.12 0.00 0.12 0.00 0.00 56.93 56.31 2wgq s PHE 530 Cb -0.05 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 2wgq s PHE 530 CO -0.01 -0.15 0.22 0.50 -0.10 0.00 0.00 175.22 175.67 2wgq s ARG 531 N 0.10 3.23 -0.35 0.44 3.52 -1.02 0.12 118.95 124.99 2wgq s ARG 531 Ca -0.07 -0.81 0.04 0.00 -0.13 0.00 0.00 55.73 54.76 2wgq s ARG 531 Cb -0.15 -3.75 0.10 0.00 -1.56 0.00 0.00 34.95 29.60 2wgq s ARG 531 CO 0.05 -0.54 0.07 -0.51 -0.81 0.00 0.00 175.30 173.56 2wgq s LEU 532 N 1.65 4.71 -1.32 -0.88 1.43 0.55 -2.62 118.68 122.20 2wgq s LEU 532 Ca 0.05 -2.22 -0.17 0.00 -1.03 0.00 0.00 54.13 50.76 2wgq s LEU 532 Cb -0.18 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.46 2wgq s LEU 532 CO 0.08 -0.37 1.93 -0.67 0.23 0.00 0.00 176.35 177.56 2wgq n ASP 533 N 4.17 4.33 -4.60 2.29 2.03 -0.19 0.11 116.55 124.69 2wgq n ASP 533 Ca 0.04 -2.87 -0.43 0.00 0.52 0.00 0.00 54.79 52.05 2wgq n ASP 533 Cb 0.41 -1.69 -0.02 0.00 -0.72 0.00 0.00 41.12 39.10 2wgq n ASP 533 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wgq s LEU 534 N 3.82 3.61 -0.80 -2.67 1.43 -1.26 -0.70 118.68 122.11 2wgq s LEU 534 Ca 0.53 0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 54.02 2wgq s LEU 534 Cb 0.08 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.90 2wgq s LEU 534 CO 0.03 -1.32 0.90 -1.81 0.23 0.00 0.00 176.35 174.37 2wgq s ASP 535 N 2.94 6.53 -0.95 2.29 1.01 -0.80 -4.74 116.67 122.95 2wgq s ASP 535 Ca 0.52 -2.05 -0.24 0.00 0.71 0.00 0.00 52.55 51.50 2wgq s ASP 535 Cb -0.09 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.54 2wgq s ASP 535 CO 0.32 -0.94 1.62 -0.69 0.21 0.00 0.00 175.17 175.69 2wgq s VAL 536 N 1.95 3.73 -1.97 -1.27 1.01 -1.26 -2.99 120.40 119.61 2wgq s VAL 536 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2wgq s VAL 536 Cb -0.12 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.60 2wgq s VAL 536 CO -0.04 -1.57 0.00 -0.67 0.00 0.00 0.00 175.10 172.82 2wgq n ASP 537 N 10.75 -5.72 0.00 3.32 -0.08 0.09 -4.51 116.55 120.40 2wgq n ASP 537 Ca 0.33 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 2wgq n ASP 537 Cb 0.50 -4.88 0.00 0.00 2.34 0.00 0.00 41.12 39.07 2wgq n ASP 537 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wgq n GLY 538 N -0.74 2.67 0.07 0.27 0.00 -1.16 -4.84 105.19 101.45 2wgq n GLY 538 Ca -0.23 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 2wgq n GLY 538 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wgq h GLU 539 N 0.00 0.08 -5.35 1.61 4.81 -1.87 -3.41 114.58 110.44 2wgq h GLU 539 Ca 0.00 -0.02 -0.64 0.00 -0.13 0.00 0.00 59.36 58.57 2wgq h GLU 539 Cb 0.00 -0.01 -0.14 0.00 0.63 0.00 0.00 28.75 29.23 2wgq h GLU 539 CO 0.00 0.33 0.03 -0.80 -0.73 0.00 0.00 179.01 177.84 2wgq s ASN 540 N -5.55 6.38 0.30 1.04 0.01 -1.26 -3.52 114.94 112.34 2wgq s ASN 540 Ca -0.14 0.12 0.03 0.00 -0.71 0.00 0.00 52.86 52.16 2wgq s ASN 540 Cb 0.04 -2.29 -0.06 0.00 0.41 0.00 0.00 41.25 39.35 2wgq s ASN 540 CO 0.68 -0.50 0.07 0.20 -1.51 0.00 0.00 177.10 176.04 2wgq s ASN 541 N 1.74 1.98 0.07 -1.22 0.01 0.51 -4.40 114.94 113.63 2wgq s ASN 541 Ca 0.21 -1.37 0.01 0.00 -0.71 0.00 0.00 52.86 51.00 2wgq s ASN 541 Cb -0.15 -0.00 -0.04 0.00 0.41 0.00 0.00 41.25 41.47 2wgq s ASN 541 CO 0.13 -0.64 -0.05 -0.44 -1.51 0.00 0.00 177.10 174.58 2wgq s SER 542 N -3.43 0.84 -0.23 -1.22 0.01 -0.33 -1.46 113.70 107.89 2wgq s SER 542 Ca 0.37 -0.89 -0.10 0.00 1.31 0.00 0.00 55.95 56.64 2wgq s SER 542 Cb 0.08 0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 2wgq s SER 542 CO 0.15 -0.45 0.14 -0.22 0.41 0.00 0.00 173.24 173.27 2wgq s LEU 543 N -2.64 4.00 -0.02 2.44 2.96 -1.26 -0.19 118.68 123.97 2wgq s LEU 543 Ca 0.05 0.07 0.08 0.00 -0.22 0.00 0.00 54.13 54.10 2wgq s LEU 543 Cb 0.02 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 2wgq s LEU 543 CO -0.05 0.07 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.10 2wgq s VAL 544 N 1.04 2.13 -0.13 1.68 1.01 0.31 -1.48 120.40 124.95 2wgq s VAL 544 Ca 0.07 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 2wgq s VAL 544 Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2wgq s VAL 544 CO 0.04 0.56 0.04 0.00 0.00 0.00 0.00 175.10 175.74 2wgq s ALA 545 N -0.63 3.39 -0.20 5.51 0.00 0.11 -0.97 121.76 128.97 2wgq s ALA 545 Ca 0.10 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 2wgq s ALA 545 Cb -0.10 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.35 2wgq s ALA 545 CO -0.01 0.41 -0.04 -1.64 0.00 0.00 0.00 175.76 174.48 2wgq s MET 546 N -0.34 1.42 -0.28 0.00 -1.94 0.31 -1.38 119.30 117.09 2wgq s MET 546 Ca 0.08 -0.69 -0.07 0.00 -1.71 0.00 0.00 55.69 53.31 2wgq s MET 546 Cb -0.12 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.47 2wgq s MET 546 CO 0.02 -0.52 0.07 -0.51 -0.01 0.00 0.00 175.02 174.07 2wgq s ASP 547 N 1.57 5.09 0.29 3.03 -0.00 -0.56 -0.55 116.67 125.54 2wgq s ASP 547 Ca -0.02 -0.59 -0.29 0.00 -0.00 0.00 0.00 52.55 51.65 2wgq s ASP 547 Cb -0.17 -1.88 -0.10 0.00 -0.00 0.00 0.00 42.92 40.77 2wgq s ASP 547 CO -0.07 -0.15 1.29 -2.84 -0.00 0.00 0.00 175.17 173.39 2wgq s PRO 548 N 1.52 4.40 0.05 8.23 0.02 -1.26 -0.74 135.00 147.22 2wgq s PRO 548 Ca 0.04 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.18 2wgq s PRO 548 Cb -0.17 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 2wgq s PRO 548 CO 0.02 -0.16 -0.04 0.14 -0.33 0.00 0.00 177.00 176.63 2wgq s VAL 549 N -0.77 0.33 -0.38 3.83 -7.23 0.18 -4.89 120.40 111.46 2wgq s VAL 549 Ca 0.51 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 58.94 2wgq s VAL 549 Cb -0.38 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.37 2wgq s VAL 549 CO 0.47 -0.81 0.43 -0.69 -0.31 0.00 0.00 175.10 174.19 2wgq s VAL 550 N -3.09 5.10 0.13 1.32 1.01 -1.26 -1.16 120.40 122.45 2wgq s VAL 550 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.00 2wgq s VAL 550 Cb 0.02 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2wgq s VAL 550 CO -0.06 -0.27 -0.01 -0.54 0.00 0.00 0.00 175.10 174.22 2wgq s LYS 551 N 2.16 2.43 0.47 2.72 1.02 0.05 -4.91 119.74 123.68 2wgq s LYS 551 Ca 0.13 -0.98 -0.23 0.00 0.02 0.00 0.00 55.97 54.92 2wgq s LYS 551 Cb -0.16 -2.43 -0.07 0.00 -0.52 0.00 0.00 37.83 34.64 2wgq s LYS 551 CO 0.13 0.50 1.26 -1.25 -0.92 0.00 0.00 175.35 175.07 2wgq s PRO 552 N -2.57 3.62 -0.11 -1.68 0.04 -1.26 0.12 135.00 133.15 2wgq s PRO 552 Ca 0.26 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 2wgq s PRO 552 Cb -0.11 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 2wgq s PRO 552 CO 0.18 -0.74 1.53 1.21 0.04 0.00 0.00 177.00 179.22 2wgq s ASN 553 N -1.06 6.71 -0.39 6.66 3.04 0.29 -4.59 114.94 125.60 2wgq s ASN 553 Ca 0.64 1.98 0.10 0.00 0.04 0.00 0.00 52.86 55.62 2wgq s ASN 553 Cb -0.35 -2.53 0.44 0.00 -1.54 0.00 0.00 41.25 37.26 2wgq s ASN 553 CO 0.43 -0.92 1.07 0.35 -3.04 0.00 0.00 177.10 174.98 2wgq n THR 554 N 5.58 1.94 -2.01 -5.21 -2.24 -1.26 -4.66 114.28 106.42 2wgq n THR 554 Ca 0.16 -4.26 0.00 0.00 -2.27 0.00 0.00 64.05 57.69 2wgq n THR 554 Cb 0.44 -0.60 -0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2wgq n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wgq n ALA 555 N -0.38 2.02 -1.34 6.98 0.00 -1.26 -5.15 120.51 121.39 2wgq n ALA 555 Ca 0.29 -0.75 0.16 0.00 0.00 0.00 0.00 53.44 53.14 2wgq n ALA 555 Cb 0.74 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 2wgq n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wgq n GLY 556 N 0.01 -1.66 0.00 0.00 0.00 -1.26 -5.07 105.19 97.21 2wgq n GLY 556 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2wgq n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wgq n GLY 557 N -3.36 -0.41 0.10 -0.02 0.00 -1.26 -4.68 105.19 95.57 2wgq n GLY 557 Ca 0.01 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.38 2wgq n GLY 557 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wgq n PRO 558 N -0.41 0.20 -2.40 1.61 -0.02 -1.26 -4.86 135.00 127.86 2wgq n PRO 558 Ca 0.00 0.30 -0.38 0.00 -2.02 0.00 0.00 63.50 61.40 2wgq n PRO 558 Cb 0.00 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2wgq n PRO 558 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wgq s ARG 559 N -3.19 4.20 -0.04 -0.52 1.81 -1.26 -4.95 118.95 115.00 2wgq s ARG 559 Ca 0.07 1.74 0.16 0.00 -1.72 0.00 0.00 55.73 55.99 2wgq s ARG 559 Cb 0.11 -2.74 -0.21 0.00 -0.45 0.00 0.00 34.95 31.66 2wgq s ARG 559 CO 0.47 -0.16 0.57 0.25 -0.68 0.00 0.00 175.30 175.75 2wgq n THR 560 N 0.26 1.25 -4.21 0.02 -2.24 -1.26 -4.67 114.28 103.42 2wgq n THR 560 Ca 0.03 -0.74 -0.12 0.00 -2.27 0.00 0.00 64.05 60.95 2wgq n THR 560 Cb 0.47 -0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 67.91 2wgq n THR 560 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wgq s SER 561 N -5.68 1.38 0.15 3.42 1.04 -1.26 0.10 113.70 112.85 2wgq s SER 561 Ca -0.06 -1.05 0.05 0.00 0.48 0.00 0.00 55.95 55.38 2wgq s SER 561 Cb 0.08 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 2wgq s SER 561 CO 0.83 -0.44 -0.11 0.42 0.98 0.00 0.00 173.24 174.92 2wgq s THR 562 N -3.53 1.25 -0.42 2.02 -4.23 0.32 -4.58 115.64 106.47 2wgq s THR 562 Ca 0.16 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.45 2wgq s THR 562 Cb 0.05 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 72.06 2wgq s THR 562 CO -0.01 -0.71 0.38 -0.04 -0.54 0.00 0.00 174.62 173.70 2wgq s MET 563 N -3.67 3.05 0.47 3.99 -1.94 -1.26 -0.77 119.30 119.17 2wgq s MET 563 Ca 0.17 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.31 2wgq s MET 563 Cb 0.02 -3.97 -0.03 0.00 2.01 0.00 0.00 34.83 32.86 2wgq s MET 563 CO 0.01 -0.81 0.02 -0.65 -0.01 0.00 0.00 175.02 173.59 2wgq s GLN 564 N 1.94 2.09 -0.09 2.03 -0.21 -0.30 -4.95 119.66 120.16 2wgq s GLN 564 Ca 0.09 -2.30 0.03 0.00 0.02 0.00 0.00 55.36 53.20 2wgq s GLN 564 Cb -0.18 -1.40 0.01 0.00 1.00 0.00 0.00 33.01 32.44 2wgq s GLN 564 CO 0.12 -0.31 -0.18 0.08 -2.12 0.00 0.00 175.29 172.88 2wgq s VAL 565 N -2.91 1.63 -0.50 1.09 1.01 -1.26 0.50 120.40 119.95 2wgq s VAL 565 Ca 0.15 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 2wgq s VAL 565 Cb 0.04 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 35.00 2wgq s VAL 565 CO 0.08 0.46 0.96 0.21 0.00 0.00 0.00 175.10 176.81 2wgq s ASN 566 N 0.60 6.44 -0.21 3.32 2.47 0.08 -4.91 114.94 122.75 2wgq s ASN 566 Ca -0.14 -0.04 -0.10 0.00 0.42 0.00 0.00 52.86 53.00 2wgq s ASN 566 Cb -0.16 -2.46 -0.05 0.00 -1.45 0.00 0.00 41.25 37.13 2wgq s ASN 566 CO 0.05 -1.15 0.13 -1.58 -3.72 0.00 0.00 177.10 170.82 2wgq s GLN 567 N 3.93 4.14 0.01 0.43 0.74 -1.26 -1.49 119.66 126.16 2wgq s GLN 567 Ca 0.35 -0.25 -0.16 0.00 0.05 0.00 0.00 55.36 55.36 2wgq s GLN 567 Cb -0.11 -3.41 0.03 0.00 1.10 0.00 0.00 33.01 30.62 2wgq s GLN 567 CO 0.24 0.25 0.34 1.52 -0.55 0.00 0.00 175.29 177.09 2wgq s TYR 568 N 0.49 -0.19 0.44 1.67 1.13 -0.48 -4.99 117.35 115.42 2wgq s TYR 568 Ca 0.07 0.19 -0.13 0.00 -1.41 0.00 0.00 57.07 55.80 2wgq s TYR 568 Cb -0.12 0.13 -0.07 0.00 -1.10 0.00 0.00 41.96 40.81 2wgq s TYR 568 CO -0.01 -0.47 0.84 -0.80 -2.51 0.00 0.00 175.55 172.61 2wgq s ASN 569 N -1.70 6.57 -0.30 -0.18 -0.87 -1.26 0.07 114.94 117.27 2wgq s ASN 569 Ca -0.09 1.29 -0.02 0.00 -1.57 0.00 0.00 52.86 52.48 2wgq s ASN 569 Cb -0.03 -2.39 0.05 0.00 -0.02 0.00 0.00 41.25 38.86 2wgq s ASN 569 CO 0.01 -0.46 -0.01 -0.63 -2.57 0.00 0.00 177.10 173.44 2wgq s ILE 570 N -2.44 2.95 -2.16 0.60 1.01 -0.55 -4.85 121.20 115.75 2wgq s ILE 570 Ca 0.54 -1.38 0.23 0.00 0.00 0.00 0.00 60.65 60.05 2wgq s ILE 570 Cb -0.10 -2.69 0.05 0.00 0.01 0.00 0.00 42.46 39.73 2wgq s ILE 570 CO 0.31 -0.09 1.16 0.61 0.00 0.00 0.00 174.94 176.93 2wgq n GLY 571 N 4.62 0.12 3.32 6.18 0.00 -1.26 -4.31 105.19 113.86 2wgq n GLY 571 Ca -0.13 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 2wgq n GLY 571 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wgq s ASN 572 N -2.40 0.09 0.35 1.61 4.22 -1.26 -0.23 114.94 117.30 2wgq s ASN 572 Ca 0.21 -1.07 0.03 0.00 -2.14 0.00 0.00 52.86 49.88 2wgq s ASN 572 Cb 0.18 0.43 0.63 0.00 1.28 0.00 0.00 41.25 43.77 2wgq s ASN 572 CO 0.53 -0.90 1.96 -0.33 -2.04 0.00 0.00 177.10 176.31 2wgq h GLU 573 N 2.56 0.71 -0.43 3.55 5.08 -1.54 -1.51 114.58 123.01 2wgq h GLU 573 Ca -0.32 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 2wgq h GLU 573 Cb 1.23 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2wgq h GLU 573 CO 0.49 0.55 -0.28 0.37 -1.00 0.00 0.00 179.01 179.14 2wgq h GLN 574 N 0.71 0.94 0.01 2.33 5.75 -1.87 -2.08 115.11 120.90 2wgq h GLN 574 Ca 0.18 -0.44 -0.21 0.00 -0.15 0.00 0.00 58.65 58.03 2wgq h GLN 574 Cb 0.07 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 2wgq h GLN 574 CO -0.02 1.10 -0.99 -0.44 -2.65 0.00 0.00 178.83 175.83 2wgq h ASP 575 N 0.77 0.03 0.52 -0.69 3.32 -1.97 -3.17 116.42 115.22 2wgq h ASP 575 Ca 0.09 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2wgq h ASP 575 Cb 0.86 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2wgq h ASP 575 CO 0.08 1.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.60 2wgq h ALA 576 N 1.00 1.00 -1.95 3.45 0.00 -1.03 -3.39 119.26 118.33 2wgq h ALA 576 Ca -0.02 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.24 2wgq h ALA 576 Cb 1.74 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 2wgq h ALA 576 CO 0.13 0.00 0.30 0.00 0.00 0.00 0.00 179.25 179.68 2wgq s ALA 577 N -3.52 3.28 0.22 0.00 0.00 -0.80 -3.83 121.76 117.10 2wgq s ALA 577 Ca 0.01 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.33 2wgq s ALA 577 Cb 0.09 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2wgq s ALA 577 CO 0.37 -2.20 0.44 1.14 0.00 0.00 0.00 175.76 175.51 2wgq s GLN 578 N 3.26 1.42 0.44 0.00 -2.07 0.17 -4.99 119.66 117.90 2wgq s GLN 578 Ca 0.22 -1.16 -0.20 0.00 -1.82 0.00 0.00 55.36 52.40 2wgq s GLN 578 Cb -0.16 0.46 -0.10 0.00 -1.09 0.00 0.00 33.01 32.11 2wgq s GLN 578 CO 0.15 -0.58 0.96 0.15 -1.32 0.00 0.00 175.29 174.65 2wgq s LYS 579 N -3.98 4.15 -0.34 9.60 -0.14 -1.26 -1.80 119.74 125.98 2wgq s LYS 579 Ca 0.19 1.13 -0.07 0.00 -1.36 0.00 0.00 55.97 55.85 2wgq s LYS 579 Cb 0.00 -2.17 0.03 0.00 -1.68 0.00 0.00 37.83 34.02 2wgq s LYS 579 CO 0.05 -0.10 0.12 0.12 -0.76 0.00 0.00 175.35 174.78 2wgq s PHE 580 N -2.20 3.23 -0.32 3.18 5.36 -1.26 -4.80 117.98 121.17 2wgq s PHE 580 Ca 0.62 -1.25 -0.19 0.00 -0.96 0.00 0.00 56.93 55.16 2wgq s PHE 580 Cb -0.10 -2.31 -0.01 0.00 -0.34 0.00 0.00 43.02 40.27 2wgq s PHE 580 CO 0.16 -0.69 0.55 0.34 -1.46 0.00 0.00 175.22 174.12 2wgq s ASP 581 N 1.45 6.39 0.00 6.13 2.15 -1.26 -4.95 116.67 126.59 2wgq s ASP 581 Ca -0.00 0.23 0.08 0.00 0.43 0.00 0.00 52.55 53.29 2wgq s ASP 581 Cb -0.19 -2.29 0.39 0.00 -0.30 0.00 0.00 42.92 40.53 2wgq s ASP 581 CO 0.04 -0.45 1.21 -0.81 -0.17 0.00 0.00 175.17 174.99 2wgq n PRO 582 N 5.76 0.06 0.00 4.34 -0.04 -1.26 -0.58 135.00 143.28 2wgq n PRO 582 Ca -0.03 0.28 0.14 0.00 -0.04 0.00 0.00 63.50 63.85 2wgq n PRO 582 Cb 0.49 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.06 2wgq n PRO 582 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wgq n GLY 583 N -0.61 -1.48 3.85 0.55 0.00 -1.26 -4.88 105.19 101.36 2wgq n GLY 583 Ca 0.03 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 2wgq n GLY 583 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wgq s THR 584 N -3.00 1.99 -0.06 2.61 -4.23 0.25 -4.43 115.64 108.77 2wgq s THR 584 Ca 0.14 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 2wgq s THR 584 Cb 0.19 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 2wgq s THR 584 CO 0.52 0.00 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.77 2wgq s ILE 585 N -2.67 1.66 -0.14 2.99 1.01 0.29 -4.97 121.20 119.36 2wgq s ILE 585 Ca 0.37 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.22 2wgq s ILE 585 Cb -0.01 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 41.05 2wgq s ILE 585 CO 0.22 0.47 -0.19 -0.13 0.00 0.00 0.00 174.94 175.31 2wgq s ARG 586 N 0.17 2.74 -0.09 2.79 1.81 -1.26 -0.53 118.95 124.58 2wgq s ARG 586 Ca -0.09 -0.75 0.03 0.00 -1.72 0.00 0.00 55.73 53.20 2wgq s ARG 586 Cb -0.14 -2.29 0.01 0.00 -0.45 0.00 0.00 34.95 32.07 2wgq s ARG 586 CO 0.04 -0.08 -0.19 -0.51 -0.68 0.00 0.00 175.30 173.88 2wgq s LEU 587 N 1.01 1.89 -0.48 2.53 1.43 -0.14 -0.49 118.68 124.44 2wgq s LEU 587 Ca -0.03 -0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 52.40 2wgq s LEU 587 Cb -0.15 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 44.95 2wgq s LEU 587 CO -0.05 0.10 0.77 -0.22 0.23 0.00 0.00 176.35 177.18 2wgq s LEU 588 N 0.49 4.40 0.27 1.79 2.96 -0.66 0.11 118.68 128.05 2wgq s LEU 588 Ca -0.17 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2wgq s LEU 588 Cb -0.17 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 2wgq s LEU 588 CO 0.07 -0.96 0.22 -0.44 -1.32 0.00 0.00 176.35 173.91 2wgq s SER 589 N 2.39 5.44 -0.43 3.68 0.01 0.73 -2.13 113.70 123.40 2wgq s SER 589 Ca 0.26 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 57.07 2wgq s SER 589 Cb -0.14 -1.27 0.07 0.00 0.21 0.00 0.00 66.02 64.89 2wgq s SER 589 CO 0.19 -0.12 0.30 0.21 0.41 0.00 0.00 173.24 174.23 2wgq s ASN 590 N -3.88 5.83 0.00 2.44 3.84 -0.14 -1.18 114.94 121.85 2wgq s ASN 590 Ca 0.35 -1.38 0.14 0.00 0.21 0.00 0.00 52.86 52.18 2wgq s ASN 590 Cb -0.07 -2.06 0.73 0.00 -0.55 0.00 0.00 41.25 39.30 2wgq s ASN 590 CO 0.25 -0.56 1.38 -0.81 -2.79 0.00 0.00 177.10 174.57 2wgq n PRO 591 N 5.03 0.23 0.00 0.43 -0.04 -1.26 -2.12 135.00 137.26 2wgq n PRO 591 Ca -0.11 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2wgq n PRO 591 Cb 0.44 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.61 2wgq n PRO 591 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wgq n ASN 592 N -1.26 1.57 -3.67 3.54 4.13 -1.26 -4.92 115.26 113.40 2wgq n ASN 592 Ca 0.07 -1.25 -0.17 0.00 1.68 0.00 0.00 54.58 54.91 2wgq n ASN 592 Cb 0.11 0.26 -0.16 0.00 -1.54 0.00 0.00 39.78 38.45 2wgq n ASN 592 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2wgq s LYS 593 N -2.43 0.02 0.21 3.52 1.02 -0.90 -5.11 119.74 116.07 2wgq s LYS 593 Ca 0.23 0.53 0.10 0.00 0.02 0.00 0.00 55.97 56.85 2wgq s LYS 593 Cb 0.19 -0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 2wgq s LYS 593 CO 0.52 -0.31 -0.14 -1.21 -0.92 0.00 0.00 175.35 173.29 2wgq s GLU 594 N 2.26 1.87 0.73 1.68 2.02 -1.26 -0.50 118.70 125.49 2wgq s GLU 594 Ca 0.03 -1.45 -0.10 0.00 0.02 0.00 0.00 54.97 53.48 2wgq s GLU 594 Cb -0.12 -2.00 0.16 0.00 0.10 0.00 0.00 34.13 32.27 2wgq s GLU 594 CO -0.05 0.40 0.99 0.27 0.02 0.00 0.00 175.26 176.88 2wgq n ASN 595 N -0.13 0.36 0.21 -0.19 2.04 0.50 -4.80 115.26 113.25 2wgq n ASN 595 Ca -0.10 -1.53 0.18 0.00 -0.44 0.00 0.00 54.58 52.69 2wgq n ASN 595 Cb 0.57 -0.73 0.84 0.00 -2.53 0.00 0.00 39.78 37.92 2wgq n ASN 595 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 2wgq h ARG 596 N 0.00 0.00 -0.41 -3.83 2.43 -1.89 0.15 114.38 110.83 2wgq h ARG 596 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2wgq h ARG 596 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2wgq h ARG 596 CO 0.25 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.38 2wgq n MET 597 N -3.51 2.39 -1.01 0.20 2.81 -1.26 -4.93 117.12 111.80 2wgq n MET 597 Ca 0.02 -2.11 -0.00 0.00 -1.81 0.00 0.00 57.70 53.80 2wgq n MET 597 Cb 0.40 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.41 2wgq n MET 597 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wgq n GLY 598 N 1.45 0.40 3.84 3.03 0.00 0.51 -5.04 105.19 109.38 2wgq n GLY 598 Ca 0.19 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 2wgq n GLY 598 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wgq s ASN 599 N -2.97 6.80 0.15 1.61 0.02 -1.26 -4.82 114.94 114.48 2wgq s ASN 599 Ca 0.00 0.95 -0.31 0.00 -1.02 0.00 0.00 52.86 52.48 2wgq s ASN 599 Cb 0.00 -2.25 -0.10 0.00 0.02 0.00 0.00 41.25 38.92 2wgq s ASN 599 CO 0.00 0.30 1.62 -2.84 0.02 0.00 0.00 177.10 176.20 2wgq s PRO 600 N -1.22 4.19 0.13 -0.60 0.02 -1.26 -0.37 135.00 135.89 2wgq s PRO 600 Ca 0.26 2.41 -0.31 0.00 0.02 0.00 0.00 61.00 63.38 2wgq s PRO 600 Cb -0.16 -3.24 -0.11 0.00 0.02 0.00 0.00 34.50 31.01 2wgq s PRO 600 CO 0.14 -0.67 1.84 0.14 -0.33 0.00 0.00 177.00 178.12 2wgq s VAL 601 N 1.49 2.48 0.31 3.83 -7.23 0.35 -4.73 120.40 116.91 2wgq s VAL 601 Ca 0.72 0.02 -0.04 0.00 -1.81 0.00 0.00 61.98 60.87 2wgq s VAL 601 Cb -0.44 -3.01 -0.00 0.00 0.56 0.00 0.00 36.38 33.48 2wgq s VAL 601 CO 0.32 0.00 0.45 -0.94 -0.31 0.00 0.00 175.10 174.61 2wgq s SER 602 N 2.68 0.66 -0.09 4.85 1.04 -0.62 -0.97 113.70 121.26 2wgq s SER 602 Ca 0.81 -1.37 0.03 0.00 0.48 0.00 0.00 55.95 55.90 2wgq s SER 602 Cb -0.46 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.29 2wgq s SER 602 CO 0.36 -1.23 -0.20 -0.31 0.98 0.00 0.00 173.24 172.85 2wgq s TYR 603 N -3.33 2.15 -0.14 5.02 1.51 -0.90 0.98 117.35 122.64 2wgq s TYR 603 Ca 0.30 -0.86 -0.22 0.00 -1.01 0.00 0.00 57.07 55.27 2wgq s TYR 603 Cb 0.00 -1.47 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 2wgq s TYR 603 CO 0.17 -0.37 0.67 -1.14 -1.11 0.00 0.00 175.55 173.78 2wgq s GLN 604 N 0.47 4.32 -0.31 -0.62 0.74 0.17 -1.65 119.66 122.77 2wgq s GLN 604 Ca -0.17 0.76 -0.12 0.00 0.05 0.00 0.00 55.36 55.88 2wgq s GLN 604 Cb -0.17 -3.52 -0.03 0.00 1.10 0.00 0.00 33.01 30.39 2wgq s GLN 604 CO 0.07 -0.10 0.22 0.42 -0.55 0.00 0.00 175.29 175.34 2wgq s ILE 605 N 1.42 5.28 -0.41 -2.34 1.01 0.36 -1.37 121.20 125.16 2wgq s ILE 605 Ca 0.33 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.95 2wgq s ILE 605 Cb -0.17 -3.63 0.12 0.00 0.01 0.00 0.00 42.46 38.80 2wgq s ILE 605 CO 0.13 0.11 0.17 -0.63 0.00 0.00 0.00 174.94 174.72 2wgq s ILE 606 N 1.74 1.69 0.01 2.92 1.01 0.10 -4.39 121.20 124.27 2wgq s ILE 606 Ca 0.06 -2.41 0.32 0.00 0.00 0.00 0.00 60.65 58.63 2wgq s ILE 606 Cb -0.17 -2.21 0.38 0.00 0.01 0.00 0.00 42.46 40.47 2wgq s ILE 606 CO 0.11 -0.77 1.92 -0.65 0.00 0.00 0.00 174.94 175.54 2wgq h PRO 607 N 7.16 0.00 -4.25 2.79 0.11 -1.90 -1.14 132.00 134.77 2wgq h PRO 607 Ca -0.06 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.42 2wgq h PRO 607 Cb 0.96 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.67 2wgq h PRO 607 CO 0.53 0.01 -0.74 -0.47 -0.21 0.00 0.00 178.00 177.11 2wgq s TYR 608 N -3.59 2.90 -0.77 0.65 5.04 -1.26 -4.58 117.35 115.73 2wgq s TYR 608 Ca 0.02 -2.44 0.15 0.00 -2.44 0.00 0.00 57.07 52.36 2wgq s TYR 608 Cb 0.08 -2.37 0.48 0.00 0.35 0.00 0.00 41.96 40.51 2wgq s TYR 608 CO 0.57 -0.91 1.41 0.00 -1.34 0.00 0.00 175.55 175.27 2wgq n ALA 609 N 4.51 2.65 0.00 3.97 0.00 -0.39 -4.91 120.51 126.34 2wgq n ALA 609 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 51.83 2wgq n ALA 609 Cb 0.42 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2wgq n ALA 609 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wgq n GLY 610 N 0.38 2.25 3.85 0.00 0.00 -1.24 -4.74 105.19 105.68 2wgq n GLY 610 Ca 0.18 -2.07 -0.01 0.00 0.00 0.00 0.00 46.02 44.13 2wgq n GLY 610 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wgq s GLY 611 N 0.00 -0.08 0.00 -0.02 0.00 -1.26 -0.28 107.32 105.68 2wgq s GLY 611 Ca 0.00 -0.02 0.20 0.00 0.00 0.00 0.00 44.72 44.91 2wgq s GLY 611 CO 0.00 2.43 1.00 -1.30 0.00 0.00 0.00 173.10 175.23 2wgq n THR 612 N -0.68 0.00 -3.93 0.90 -2.24 0.14 -4.91 114.28 103.56 2wgq n THR 612 Ca -0.03 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.26 2wgq n THR 612 Cb 0.60 1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 70.00 2wgq n THR 612 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2wgq s HIS 613 N -2.33 2.79 0.65 4.78 3.76 -1.26 -4.93 115.29 118.75 2wgq s HIS 613 Ca 0.16 -0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 2wgq s HIS 613 Cb 0.16 -1.76 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 2wgq s HIS 613 CO 0.54 0.23 1.22 -2.14 -0.85 0.00 0.00 174.74 173.74 2wgq s PRO 614 N -3.93 2.62 -0.12 8.40 0.02 -1.26 -4.89 135.00 135.84 2wgq s PRO 614 Ca 0.40 1.82 -0.12 0.00 0.02 0.00 0.00 61.00 63.12 2wgq s PRO 614 Cb -0.04 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 2wgq s PRO 614 CO 0.25 -1.48 0.26 0.54 -0.33 0.00 0.00 177.00 176.24 2wgq s VAL 615 N -1.73 5.31 0.03 3.83 0.11 -1.26 -1.30 120.40 125.38 2wgq s VAL 615 Ca 0.77 0.48 -0.30 0.00 -2.93 0.00 0.00 61.98 59.99 2wgq s VAL 615 Cb -0.31 -3.57 -0.06 0.00 -1.53 0.00 0.00 36.38 30.92 2wgq s VAL 615 CO 0.39 0.50 1.36 0.00 -3.33 0.00 0.00 175.10 174.02 2wgq s ALA 616 N -0.31 3.55 0.31 1.54 0.00 -0.79 -4.65 121.76 121.41 2wgq s ALA 616 Ca 0.17 0.91 0.18 0.00 0.00 0.00 0.00 51.96 53.21 2wgq s ALA 616 Cb -0.13 -3.56 0.87 0.00 0.00 0.00 0.00 23.12 20.29 2wgq s ALA 616 CO 0.05 -0.78 1.85 0.87 0.00 0.00 0.00 175.76 177.75 2wgq h LYS 617 N 7.47 0.00 0.00 0.00 1.79 -1.97 -3.44 116.57 120.42 2wgq h LYS 617 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2wgq h LYS 617 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2wgq h LYS 617 CO 0.88 0.32 0.00 0.41 -1.08 0.00 0.00 179.45 179.98 2wgq n GLY 618 N -0.26 0.86 3.72 3.86 0.00 -1.26 -4.90 105.19 107.21 2wgq n GLY 618 Ca -0.01 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 2wgq n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgq s ALA 619 N -1.00 3.42 -1.21 4.61 0.00 -1.20 -4.90 121.76 121.48 2wgq s ALA 619 Ca 0.00 0.89 -0.05 0.00 0.00 0.00 0.00 51.96 52.80 2wgq s ALA 619 Cb 0.00 -3.43 0.10 0.00 0.00 0.00 0.00 23.12 19.78 2wgq s ALA 619 CO 0.00 -0.41 2.48 1.04 0.00 0.00 0.00 175.76 178.88 2wgq n GLN 620 N 3.36 4.23 -3.93 0.00 1.13 -1.26 -4.81 117.38 116.09 2wgq n GLN 620 Ca 0.07 -3.22 -0.10 0.00 -1.94 0.00 0.00 57.00 51.81 2wgq n GLN 620 Cb 0.46 -2.57 -0.11 0.00 0.11 0.00 0.00 30.24 28.13 2wgq n GLN 620 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2wgq s PHE 621 N -1.04 0.15 0.76 1.08 0.08 -1.26 -5.00 117.98 112.75 2wgq s PHE 621 Ca 0.56 -0.32 -0.13 0.00 0.12 0.00 0.00 56.93 57.16 2wgq s PHE 621 Cb 0.21 -0.12 0.05 0.00 -0.57 0.00 0.00 43.02 42.60 2wgq s PHE 621 CO -0.11 -0.17 1.16 0.00 -0.10 0.00 0.00 175.22 175.99 2wgq s ALA 622 N -1.12 2.09 0.41 5.36 0.00 -1.26 -4.90 121.76 122.33 2wgq s ALA 622 Ca -0.12 0.66 0.32 0.00 0.00 0.00 0.00 51.96 52.82 2wgq s ALA 622 Cb -0.07 -3.40 1.64 0.00 0.00 0.00 0.00 23.12 21.29 2wgq s ALA 622 CO -0.00 -1.90 2.12 -1.35 0.00 0.00 0.00 175.76 174.63 2wgq h PRO 623 N -0.65 0.00 0.00 0.00 0.11 -1.99 -2.38 132.00 127.09 2wgq h PRO 623 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wgq h PRO 623 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2wgq h PRO 623 CO 0.49 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 2wgq n ASP 624 N -3.42 0.00 -4.73 -2.05 5.75 -1.26 -4.59 116.55 106.25 2wgq n ASP 624 Ca -0.02 0.09 -0.41 0.00 -0.01 0.00 0.00 54.79 54.44 2wgq n ASP 624 Cb 0.21 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 2wgq n ASP 624 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wgq s GLU 625 N -2.69 4.48 0.22 0.11 0.41 -0.90 -4.94 118.70 115.39 2wgq s GLU 625 Ca 0.20 1.83 -0.08 0.00 -0.41 0.00 0.00 54.97 56.50 2wgq s GLU 625 Cb 0.16 -3.28 0.34 0.00 -1.78 0.00 0.00 34.13 29.57 2wgq s GLU 625 CO 0.38 -0.14 1.71 -1.49 -0.49 0.00 0.00 175.26 175.24 2wgq h TRP 626 N 5.80 0.26 -0.42 1.61 4.06 -1.89 0.37 115.95 125.74 2wgq h TRP 626 Ca -0.43 0.04 0.03 0.00 2.06 0.00 0.00 58.89 60.58 2wgq h TRP 626 Cb 1.21 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 29.33 2wgq h TRP 626 CO 0.64 -0.02 0.28 0.97 -3.56 0.00 0.00 178.44 176.75 2wgq h ILE 627 N 0.29 1.03 -0.50 1.49 2.10 -1.92 -1.53 117.51 118.47 2wgq h ILE 627 Ca 0.34 -0.15 -0.09 0.00 1.08 0.00 0.00 64.86 66.04 2wgq h ILE 627 Cb 0.52 0.55 -0.02 0.00 -1.09 0.00 0.00 36.82 36.78 2wgq h ILE 627 CO -0.42 0.08 -0.04 0.22 -1.08 0.00 0.00 178.15 176.92 2wgq h TYR 628 N 0.44 1.00 -0.07 2.19 5.03 -1.27 -2.67 116.97 121.62 2wgq h TYR 628 Ca 0.17 -0.19 -0.20 0.00 2.58 0.00 0.00 58.73 61.09 2wgq h TYR 628 Cb 0.13 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.15 2wgq h TYR 628 CO -0.00 0.94 -0.78 1.25 -1.32 0.00 0.00 178.16 178.25 2wgq h HIS 629 N 0.77 0.64 0.00 -3.82 2.76 -0.35 -3.18 115.15 111.97 2wgq h HIS 629 Ca 0.14 -0.30 -0.12 0.00 -2.20 0.00 0.00 60.37 57.90 2wgq h HIS 629 Cb 0.57 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 2wgq h HIS 629 CO 0.04 1.07 -0.63 0.07 -1.30 0.00 0.00 177.93 177.19 2wgq h ARG 630 N 0.31 0.00 -2.79 5.26 0.11 -1.37 -3.34 114.38 112.56 2wgq h ARG 630 Ca -0.04 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.39 2wgq h ARG 630 Cb 1.37 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 32.06 2wgq h ARG 630 CO 0.14 0.49 -0.33 1.28 0.10 0.00 0.00 179.97 181.65 2wgq n LEU 631 N -3.19 3.92 -0.03 0.08 4.77 -1.01 -3.56 117.00 117.99 2wgq n LEU 631 Ca 0.01 -5.29 0.02 0.00 -0.03 0.00 0.00 56.01 50.72 2wgq n LEU 631 Cb 0.75 -0.86 0.34 0.00 -2.33 0.00 0.00 43.42 41.33 2wgq n LEU 631 CO 0.41 1.82 1.07 0.28 -1.33 0.00 0.00 177.39 179.64 2wgq h SER 632 N 5.07 0.54 0.00 -1.43 0.02 -1.79 -2.73 113.55 113.23 2wgq h SER 632 Ca 0.18 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2wgq h SER 632 Cb 0.72 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2wgq h SER 632 CO 0.86 0.48 0.34 2.19 -1.14 0.00 0.00 176.83 179.56 2wgq h PHE 633 N 0.60 0.00 0.00 3.45 -0.00 -1.90 0.35 116.94 119.44 2wgq h PHE 633 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.97 57.99 2wgq h PHE 633 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.04 2wgq h PHE 633 CO 0.01 0.00 -0.60 0.52 -0.00 0.00 0.00 178.31 178.24 2wgq h MET 634 N 0.00 0.00 -0.02 6.09 2.86 -1.87 -3.32 114.93 118.68 2wgq h MET 634 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wgq h MET 634 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2wgq h MET 634 CO 0.00 0.60 -0.23 -3.47 1.06 0.00 0.00 176.91 174.87 2wgq n ASP 635 N -3.57 2.04 -3.99 1.22 2.03 0.11 -3.21 116.55 111.18 2wgq n ASP 635 Ca -0.00 -1.53 -0.18 0.00 0.52 0.00 0.00 54.79 53.60 2wgq n ASP 635 Cb 0.66 0.20 -0.15 0.00 -0.72 0.00 0.00 41.12 41.11 2wgq n ASP 635 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wgq s LYS 636 N -2.27 0.63 0.01 -0.67 -0.14 -1.25 -4.67 119.74 111.38 2wgq s LYS 636 Ca 0.25 -0.27 -0.04 0.00 -1.36 0.00 0.00 55.97 54.56 2wgq s LYS 636 Cb 0.19 -0.61 -0.28 0.00 -1.68 0.00 0.00 37.83 35.45 2wgq s LYS 636 CO 0.45 0.15 0.88 1.96 -0.76 0.00 0.00 175.35 178.03 2wgq h GLN 637 N 6.02 0.27 -5.34 1.68 7.50 -1.56 -3.39 115.11 120.28 2wgq h GLN 637 Ca -0.30 -0.45 -0.66 0.00 0.50 0.00 0.00 58.65 57.73 2wgq h GLN 637 Cb 1.18 0.17 -0.28 0.00 0.05 0.00 0.00 27.48 28.60 2wgq h GLN 637 CO 0.50 1.14 -0.78 -1.17 -1.50 0.00 0.00 178.83 177.02 2wgq s LEU 638 N -7.03 2.62 0.10 1.46 2.96 -0.75 0.28 118.68 118.33 2wgq s LEU 638 Ca -0.09 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 2wgq s LEU 638 Cb 0.07 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2wgq s LEU 638 CO 0.86 0.17 -0.15 0.26 -1.32 0.00 0.00 176.35 176.17 2wgq s TRP 639 N 0.32 1.37 -0.03 5.38 0.52 -0.76 -0.65 118.94 125.09 2wgq s TRP 639 Ca -0.12 -0.51 -0.01 0.00 0.02 0.00 0.00 56.10 55.48 2wgq s TRP 639 Cb -0.16 -0.74 0.03 0.00 -1.15 0.00 0.00 33.47 31.45 2wgq s TRP 639 CO 0.06 0.12 0.05 0.08 0.02 0.00 0.00 176.95 177.28 2wgq s VAL 640 N -1.75 -0.08 0.11 4.03 1.01 -1.25 -0.90 120.40 121.57 2wgq s VAL 640 Ca 0.05 0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.38 2wgq s VAL 640 Cb -0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 2wgq s VAL 640 CO 0.03 0.12 -0.15 0.42 0.00 0.00 0.00 175.10 175.51 2wgq s THR 641 N 1.47 1.38 0.42 3.92 -4.23 -0.55 -4.56 115.64 113.49 2wgq s THR 641 Ca -0.04 -1.63 -0.26 0.00 -1.18 0.00 0.00 61.69 58.57 2wgq s THR 641 Cb -0.13 -1.47 -0.09 0.00 1.34 0.00 0.00 72.50 72.15 2wgq s THR 641 CO -0.03 -0.32 1.40 -0.60 -0.54 0.00 0.00 174.62 174.52 2wgq s ARG 642 N -2.40 3.86 0.16 3.99 6.06 -1.26 -1.60 118.95 127.77 2wgq s ARG 642 Ca 0.07 2.37 -0.31 0.00 -2.50 0.00 0.00 55.73 55.36 2wgq s ARG 642 Cb -0.07 -2.76 -0.09 0.00 0.06 0.00 0.00 34.95 32.10 2wgq s ARG 642 CO 0.03 -0.65 1.42 -0.47 -2.50 0.00 0.00 175.30 173.13 2wgq s TYR 643 N -1.20 3.17 -0.10 5.12 5.04 -0.18 -4.83 117.35 124.37 2wgq s TYR 643 Ca 0.58 0.94 -0.06 0.00 -2.44 0.00 0.00 57.07 56.09 2wgq s TYR 643 Cb -0.43 -3.74 0.04 0.00 0.35 0.00 0.00 41.96 38.18 2wgq s TYR 643 CO 0.55 -2.56 0.24 -1.01 -1.34 0.00 0.00 175.55 171.43 2wgq s HIS 644 N 0.73 -0.29 0.38 4.97 3.76 -1.26 -5.03 115.29 118.55 2wgq s HIS 644 Ca 0.63 0.71 0.19 0.00 -0.15 0.00 0.00 55.06 56.44 2wgq s HIS 644 Cb -0.39 0.06 1.14 0.00 1.11 0.00 0.00 32.58 34.49 2wgq s HIS 644 CO 0.34 -0.19 1.70 -1.35 -0.85 0.00 0.00 174.74 174.40 2wgq h PRO 645 N 6.67 0.33 0.00 8.40 0.11 -2.04 -1.95 132.00 143.51 2wgq h PRO 645 Ca -0.35 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 2wgq h PRO 645 Cb 1.17 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wgq h PRO 645 CO 0.37 0.22 -0.71 0.78 -0.21 0.00 0.00 178.00 178.45 2wgq h GLY 646 N 0.34 0.00 -7.00 -0.55 0.00 -2.01 -3.45 103.07 90.39 2wgq h GLY 646 Ca 0.69 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.45 2wgq h GLY 646 CO -0.43 0.00 0.87 -0.54 0.00 0.00 0.00 176.54 176.44 2wgq s GLU 647 N -3.27 3.47 0.00 4.80 2.02 -0.74 -4.80 118.70 120.18 2wgq s GLU 647 Ca 0.02 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.13 2wgq s GLU 647 Cb 0.08 -4.02 0.00 0.00 0.10 0.00 0.00 34.13 30.29 2wgq s GLU 647 CO 0.75 -1.63 0.00 0.54 0.02 0.00 0.00 175.26 174.94 2wgq n ARG 648 N 8.19 3.12 -5.23 1.61 1.74 -1.26 -4.86 116.66 119.98 2wgq n ARG 648 Ca 0.07 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.83 2wgq n ARG 648 Cb 0.49 -0.41 -0.17 0.00 -1.02 0.00 0.00 32.46 31.35 2wgq n ARG 648 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wgq s PHE 649 N -0.51 2.51 0.48 -1.55 0.08 -1.26 -4.78 117.98 112.94 2wgq s PHE 649 Ca 0.00 -0.96 0.16 0.00 0.12 0.00 0.00 56.93 56.26 2wgq s PHE 649 Cb 0.00 -1.67 1.15 0.00 -0.57 0.00 0.00 43.02 41.93 2wgq s PHE 649 CO 0.00 -0.36 2.06 -1.00 -0.10 0.00 0.00 175.22 175.81 2wgq h PRO 650 N 6.54 0.00 -0.02 0.24 0.13 -1.92 -2.86 132.00 134.10 2wgq h PRO 650 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2wgq h PRO 650 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wgq h PRO 650 CO 0.47 0.11 -0.01 -0.85 -0.23 0.00 0.00 178.00 177.49 2wgq n GLU 651 N -4.33 2.09 0.00 0.86 0.00 -1.26 -1.12 120.64 116.87 2wgq n GLU 651 Ca -0.03 -1.60 0.00 0.00 0.00 0.00 0.00 57.16 55.53 2wgq n GLU 651 Cb 0.19 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.16 2wgq n GLU 651 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wgq n GLY 652 N 1.30 0.60 0.23 -1.84 0.00 -1.08 -4.10 105.19 100.30 2wgq n GLY 652 Ca 0.15 -1.70 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 2wgq n GLY 652 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wgq h LYS 653 N 0.00 0.54 -2.85 1.61 3.64 -1.87 -3.34 116.57 114.30 2wgq h LYS 653 Ca 0.00 -0.25 -0.61 0.00 -1.27 0.00 0.00 60.65 58.52 2wgq h LYS 653 Cb 0.00 -0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 31.41 2wgq h LYS 653 CO 0.00 0.82 -0.70 0.71 -2.27 0.00 0.00 179.45 178.01 2wgq s TYR 654 N -4.32 2.79 -1.45 1.91 2.02 -1.26 -4.96 117.35 112.08 2wgq s TYR 654 Ca -0.07 -3.03 0.30 0.00 -0.37 0.00 0.00 57.07 53.90 2wgq s TYR 654 Cb 0.13 -2.14 1.43 0.00 -0.40 0.00 0.00 41.96 40.98 2wgq s TYR 654 CO 0.81 -0.63 2.00 -0.35 -1.57 0.00 0.00 175.55 175.81 2wgq n PRO 655 N 2.23 0.46 -2.24 -1.71 -0.04 -1.25 -4.34 135.00 128.10 2wgq n PRO 655 Ca 0.23 -0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 2wgq n PRO 655 Cb 0.39 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 2wgq n PRO 655 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wgq s ASN 656 N -2.57 6.55 -1.83 3.54 3.04 -1.26 -2.88 114.94 119.52 2wgq s ASN 656 Ca 0.28 1.52 0.00 0.00 0.04 0.00 0.00 52.86 54.69 2wgq s ASN 656 Cb 0.20 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.38 2wgq s ASN 656 CO 0.47 -1.13 0.00 0.54 -3.04 0.00 0.00 177.10 173.94 2wgq n ARG 657 N 7.42 -1.44 -1.54 0.43 1.74 -1.26 -4.26 116.66 117.75 2wgq n ARG 657 Ca 0.17 1.02 -0.38 0.00 -0.77 0.00 0.00 57.85 57.89 2wgq n ARG 657 Cb 0.46 -5.38 0.05 0.00 -1.02 0.00 0.00 32.46 26.56 2wgq n ARG 657 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wgq n SER 658 N -1.11 -0.17 -0.00 0.55 3.41 -1.14 -4.85 113.62 110.32 2wgq n SER 658 Ca -0.18 0.77 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 2wgq n SER 658 Cb 0.59 -1.28 -0.10 0.00 -0.26 0.00 0.00 64.21 63.16 2wgq n SER 658 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wgq n THR 659 N -1.74 0.00 -3.63 6.66 -2.24 -1.26 -4.63 114.28 107.44 2wgq n THR 659 Ca 0.13 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 2wgq n THR 659 Cb 0.47 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 2wgq n THR 659 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2wgq s HIS 660 N -2.67 -0.25 -0.05 4.78 -3.43 -1.26 -4.87 115.29 107.55 2wgq s HIS 660 Ca 0.02 0.02 -0.31 0.00 -0.80 0.00 0.00 55.06 54.00 2wgq s HIS 660 Cb 0.11 0.27 -0.09 0.00 -1.43 0.00 0.00 32.58 31.44 2wgq s HIS 660 CO 0.65 -0.67 2.01 -3.47 -2.00 0.00 0.00 174.74 171.26 2wgq n ASP 661 N -0.03 3.81 -0.21 7.38 -0.08 -1.23 -4.79 116.55 121.41 2wgq n ASP 661 Ca -0.17 0.77 0.02 0.00 -1.51 0.00 0.00 54.79 53.91 2wgq n ASP 661 Cb 0.63 -1.50 0.02 0.00 2.34 0.00 0.00 41.12 42.62 2wgq n ASP 661 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2wgq n THR 662 N 5.94 0.08 0.00 5.18 -2.24 -1.26 -3.99 114.28 117.99 2wgq n THR 662 Ca 0.23 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2wgq n THR 662 Cb 0.39 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 2wgq n THR 662 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wgq n GLY 663 N 0.25 0.69 0.35 3.38 0.00 -1.26 -4.17 105.19 104.44 2wgq n GLY 663 Ca 0.03 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2wgq n GLY 663 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wgq h LEU 664 N 0.00 0.23 -0.25 0.99 3.38 -1.25 0.18 115.31 118.60 2wgq h LEU 664 Ca 0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2wgq h LEU 664 Cb 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2wgq h LEU 664 CO 0.00 0.14 0.01 1.23 0.09 0.00 0.00 178.44 179.91 2wgq h GLY 665 N 0.26 0.26 1.50 0.83 0.00 -1.88 -2.14 103.07 101.90 2wgq h GLY 665 Ca 0.25 0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 2wgq h GLY 665 CO -0.05 -0.04 -0.22 -1.61 0.00 0.00 0.00 176.54 174.62 2wgq h GLN 666 N 0.10 0.59 0.00 4.80 4.15 -0.83 -1.67 115.11 122.25 2wgq h GLN 666 Ca 0.12 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.23 2wgq h GLN 666 Cb 0.15 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2wgq h GLN 666 CO -0.19 0.76 -0.46 1.88 -1.93 0.00 0.00 178.83 178.90 2wgq h TYR 667 N 0.52 0.00 0.00 3.99 0.05 -0.79 -3.25 116.97 117.49 2wgq h TYR 667 Ca 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 2wgq h TYR 667 Cb 0.66 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.40 2wgq h TYR 667 CO 0.03 0.46 -1.94 -1.13 -1.05 0.00 0.00 178.16 174.52 2wgq n SER 668 N -3.24 0.08 -0.31 3.88 3.41 -0.84 -4.52 113.62 112.07 2wgq n SER 668 Ca 0.02 0.03 0.16 0.00 -0.26 0.00 0.00 58.87 58.82 2wgq n SER 668 Cb 0.70 1.80 0.34 0.00 -0.26 0.00 0.00 64.21 66.79 2wgq n SER 668 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2wgq h LYS 669 N 0.00 0.13 0.00 4.33 3.64 -1.33 0.36 116.57 123.70 2wgq h LYS 669 Ca -0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wgq h LYS 669 Cb 1.08 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2wgq h LYS 669 CO 0.00 0.09 0.00 -0.40 -2.27 0.00 0.00 179.45 176.87 2wgq n ASP 670 N -5.29 0.00 -4.04 4.20 5.75 -1.26 -4.90 116.55 111.01 2wgq n ASP 670 Ca 0.25 -0.76 -0.28 0.00 -0.01 0.00 0.00 54.79 53.99 2wgq n ASP 670 Cb 0.80 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.85 2wgq n ASP 670 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2wgq n ASN 671 N -0.96 -0.28 -4.71 -1.12 5.15 0.13 -4.93 115.26 108.54 2wgq n ASN 671 Ca 0.15 -1.09 -0.32 0.00 -0.60 0.00 0.00 54.58 52.72 2wgq n ASN 671 Cb 0.07 -2.64 0.13 0.00 -0.53 0.00 0.00 39.78 36.81 2wgq n ASN 671 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2wgq s GLU 672 N -6.78 1.64 0.20 1.20 2.02 -1.26 -4.47 118.70 111.26 2wgq s GLU 672 Ca 0.03 1.57 -0.30 0.00 0.02 0.00 0.00 54.97 56.30 2wgq s GLU 672 Cb -0.02 -1.79 -0.08 0.00 0.10 0.00 0.00 34.13 32.34 2wgq s GLU 672 CO 0.92 -2.17 1.23 0.45 0.02 0.00 0.00 175.26 175.71 2wgq s SER 673 N -2.54 7.02 -0.24 -0.19 0.15 -1.26 -1.66 113.70 114.98 2wgq s SER 673 Ca 0.69 2.32 0.14 0.00 0.70 0.00 0.00 55.95 59.79 2wgq s SER 673 Cb -0.24 -2.61 0.58 0.00 -1.71 0.00 0.00 66.02 62.04 2wgq s SER 673 CO 0.53 -0.42 1.53 0.18 1.20 0.00 0.00 173.24 176.26 2wgq n LEU 674 N 2.35 4.49 -4.54 3.45 4.77 0.67 -4.87 117.00 123.33 2wgq n LEU 674 Ca 0.04 -3.22 -0.42 0.00 -0.03 0.00 0.00 56.01 52.39 2wgq n LEU 674 Cb 0.44 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 2wgq n LEU 674 CO 0.57 0.82 0.22 -0.62 -1.33 0.00 0.00 177.39 177.05 2wgq s ASP 675 N -1.83 6.29 -1.19 -1.43 2.15 -1.26 -4.07 116.67 115.34 2wgq s ASP 675 Ca 0.46 -0.18 -0.08 0.00 0.43 0.00 0.00 52.55 53.17 2wgq s ASP 675 Cb 0.38 -2.27 -0.02 0.00 -0.30 0.00 0.00 42.92 40.72 2wgq s ASP 675 CO 0.08 -0.53 0.78 -3.20 -0.17 0.00 0.00 175.17 172.13 2wgq n ASN 676 N 5.78 -3.74 -3.76 -0.34 4.05 -0.68 -4.97 115.26 111.60 2wgq n ASN 676 Ca -0.05 -0.87 -0.14 0.00 0.45 0.00 0.00 54.58 53.98 2wgq n ASN 676 Cb 0.49 -4.07 -0.07 0.00 1.23 0.00 0.00 39.78 37.36 2wgq n ASN 676 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2wgq s THR 677 N -3.54 0.00 -0.61 -0.44 -1.32 -0.53 -4.59 115.64 104.60 2wgq s THR 677 Ca 0.26 -1.79 -0.27 0.00 -1.21 0.00 0.00 61.69 58.68 2wgq s THR 677 Cb -0.07 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 2wgq s THR 677 CO 0.81 0.00 1.55 -0.62 -2.21 0.00 0.00 174.62 174.15 2wgq s ASP 678 N -3.20 5.84 0.60 8.08 -1.08 -1.23 -0.36 116.67 125.32 2wgq s ASP 678 Ca 0.34 0.16 -0.05 0.00 -0.52 0.00 0.00 52.55 52.48 2wgq s ASP 678 Cb 0.03 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.96 2wgq s ASP 678 CO 0.17 -1.97 0.90 0.00 0.52 0.00 0.00 175.17 174.79 2wgq s ALA 679 N 7.03 3.34 -0.02 3.66 0.00 -1.26 -1.01 121.76 133.50 2wgq s ALA 679 Ca 0.54 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 2wgq s ALA 679 Cb -0.11 -2.54 0.02 0.00 0.00 0.00 0.00 23.12 20.49 2wgq s ALA 679 CO 0.21 -0.85 0.03 0.08 0.00 0.00 0.00 175.76 175.24 2wgq s VAL 680 N -2.99 -0.05 -0.13 0.00 1.01 -0.63 -4.35 120.40 113.27 2wgq s VAL 680 Ca 0.55 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 2wgq s VAL 680 Cb -0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 2wgq s VAL 680 CO 0.44 0.07 0.04 -0.69 0.00 0.00 0.00 175.10 174.97 2wgq s VAL 681 N 0.87 4.64 -0.07 2.92 1.01 0.12 -1.49 120.40 128.40 2wgq s VAL 681 Ca -0.07 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2wgq s VAL 681 Cb -0.10 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2wgq s VAL 681 CO -0.03 0.55 -0.23 0.26 0.00 0.00 0.00 175.10 175.66 2wgq s TRP 682 N -0.39 2.29 -0.10 5.22 0.52 -0.08 0.21 118.94 126.61 2wgq s TRP 682 Ca 0.09 -0.76 0.03 0.00 0.02 0.00 0.00 56.10 55.48 2wgq s TRP 682 Cb -0.12 -1.52 0.01 0.00 -1.15 0.00 0.00 33.47 30.69 2wgq s TRP 682 CO 0.02 -0.26 -0.19 -1.64 0.02 0.00 0.00 176.95 174.90 2wgq s MET 683 N 0.04 2.49 -0.15 4.98 -1.94 0.12 -1.83 119.30 123.00 2wgq s MET 683 Ca -0.08 -0.68 -0.03 0.00 -1.71 0.00 0.00 55.69 53.19 2wgq s MET 683 Cb -0.15 -1.98 -0.03 0.00 2.01 0.00 0.00 34.83 34.69 2wgq s MET 683 CO 0.05 0.06 -0.04 0.99 -0.01 0.00 0.00 175.02 176.07 2wgq s THR 684 N 0.63 3.85 -0.05 2.05 2.01 0.14 -0.57 115.64 123.70 2wgq s THR 684 Ca -0.14 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 2wgq s THR 684 Cb -0.16 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.69 2wgq s THR 684 CO 0.04 0.50 -0.02 0.28 -0.69 0.00 0.00 174.62 174.73 2wgq s THR 685 N 0.31 0.39 0.11 -0.82 -1.32 -0.08 -4.41 115.64 109.83 2wgq s THR 685 Ca -0.04 0.03 0.05 0.00 -1.21 0.00 0.00 61.69 60.51 2wgq s THR 685 Cb -0.14 -0.49 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 2wgq s THR 685 CO 0.03 0.22 -0.11 -0.83 -2.21 0.00 0.00 174.62 171.72 2wgq s GLY 686 N 1.40 0.96 0.28 6.08 0.00 -1.26 -0.65 107.32 114.13 2wgq s GLY 686 Ca -0.04 -1.27 0.09 0.00 0.00 0.00 0.00 44.72 43.50 2wgq s GLY 686 CO -0.03 -1.34 -0.12 -0.51 0.00 0.00 0.00 173.10 171.11 2wgq s THR 687 N -2.45 1.98 -0.28 0.90 -4.23 0.17 -1.89 115.64 109.83 2wgq s THR 687 Ca 0.08 -2.22 -0.05 0.00 -1.18 0.00 0.00 61.69 58.32 2wgq s THR 687 Cb -0.03 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.46 2wgq s THR 687 CO 0.01 -0.36 0.03 -0.89 -0.54 0.00 0.00 174.62 172.87 2wgq s THR 688 N -2.80 3.55 -0.67 3.99 2.01 -0.42 -1.70 115.64 119.60 2wgq s THR 688 Ca 0.29 -0.87 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 2wgq s THR 688 Cb 0.01 -2.85 0.17 0.00 0.01 0.00 0.00 72.50 69.83 2wgq s THR 688 CO 0.13 0.09 0.63 -2.28 -0.69 0.00 0.00 174.62 172.49 2wgq s HIS 689 N 1.42 3.45 -0.26 4.92 5.04 0.11 -4.10 115.29 125.87 2wgq s HIS 689 Ca 0.01 -1.56 -0.16 0.00 -1.54 0.00 0.00 55.06 51.81 2wgq s HIS 689 Cb -0.17 -3.83 -0.03 0.00 0.04 0.00 0.00 32.58 28.59 2wgq s HIS 689 CO 0.00 -1.03 0.42 0.08 -2.34 0.00 0.00 174.74 171.87 2wgq s VAL 690 N 1.09 5.15 0.88 0.89 1.01 -1.26 -2.84 120.40 125.31 2wgq s VAL 690 Ca 0.10 0.68 -0.13 0.00 0.00 0.00 0.00 61.98 62.63 2wgq s VAL 690 Cb -0.21 -3.74 0.15 0.00 0.00 0.00 0.00 36.38 32.57 2wgq s VAL 690 CO -0.02 0.15 1.24 0.00 0.00 0.00 0.00 175.10 176.47 2wgq s ALA 691 N 2.03 2.50 0.21 5.51 0.00 -1.26 -5.03 121.76 125.73 2wgq s ALA 691 Ca 0.17 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 2wgq s ALA 691 Cb -0.16 -2.80 0.04 0.00 0.00 0.00 0.00 23.12 20.21 2wgq s ALA 691 CO 0.09 -2.06 0.61 -0.98 0.00 0.00 0.00 175.76 173.43 2wgq s ARG 692 N -5.71 1.46 0.45 0.00 1.70 -1.26 -4.64 118.95 110.94 2wgq s ARG 692 Ca 0.69 -0.75 0.11 0.00 -0.47 0.00 0.00 55.73 55.31 2wgq s ARG 692 Cb -0.07 0.57 1.00 0.00 -0.57 0.00 0.00 34.95 35.89 2wgq s ARG 692 CO 0.51 -0.64 2.07 0.00 -1.08 0.00 0.00 175.30 176.15 2wgq h ALA 693 N 2.07 1.78 0.00 7.88 0.00 -1.87 -0.34 119.26 128.77 2wgq h ALA 693 Ca -0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wgq h ALA 693 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wgq h ALA 693 CO 0.33 0.18 0.16 0.93 0.00 0.00 0.00 179.25 180.86 2wgq h GLU 694 N 0.28 0.00 -0.65 0.00 3.07 -1.97 -2.20 114.58 113.10 2wgq h GLU 694 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2wgq h GLU 694 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2wgq h GLU 694 CO -0.01 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.99 2wgq n GLU 695 N -2.76 3.18 -4.17 2.33 1.02 -0.14 -4.66 120.64 115.44 2wgq n GLU 695 Ca -0.02 -2.71 -0.18 0.00 -0.02 0.00 0.00 57.16 54.23 2wgq n GLU 695 Cb 0.21 -1.69 -0.15 0.00 -0.02 0.00 0.00 31.44 29.79 2wgq n GLU 695 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2wgq s TRP 696 N -1.40 0.60 -1.13 -0.32 -0.11 -0.83 -2.56 118.94 113.19 2wgq s TRP 696 Ca 0.48 -0.13 0.29 0.00 1.22 0.00 0.00 56.10 57.95 2wgq s TRP 696 Cb 0.28 -0.48 1.26 0.00 -1.50 0.00 0.00 33.47 33.03 2wgq s TRP 696 CO 0.28 -0.09 1.93 -0.35 -4.62 0.00 0.00 176.95 174.09 2wgq n PRO 697 N 3.47 0.13 -4.09 5.86 -0.04 -1.26 -4.97 135.00 134.09 2wgq n PRO 697 Ca -0.19 -0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.05 2wgq n PRO 697 Cb 0.54 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.34 2wgq n PRO 697 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2wgq s ILE 698 N -2.88 0.51 -0.33 0.52 2.07 -1.24 -4.67 121.20 115.18 2wgq s ILE 698 Ca 0.18 -0.08 -0.29 0.00 -1.41 0.00 0.00 60.65 59.04 2wgq s ILE 698 Cb 0.19 -0.56 0.02 0.00 0.13 0.00 0.00 42.46 42.24 2wgq s ILE 698 CO 0.52 0.23 1.09 -0.32 -1.91 0.00 0.00 174.94 174.55 2wgq s MET 699 N 1.08 4.03 0.46 3.50 -2.45 0.47 -4.64 119.30 121.74 2wgq s MET 699 Ca -0.09 1.03 -0.23 0.00 -1.25 0.00 0.00 55.69 55.15 2wgq s MET 699 Cb -0.14 -3.76 -0.09 0.00 1.25 0.00 0.00 34.83 32.09 2wgq s MET 699 CO -0.01 -0.96 1.00 -2.30 1.05 0.00 0.00 175.02 173.80 2wgq n PRO 700 N 6.99 1.27 -1.68 4.11 -0.02 -1.26 -3.60 135.00 140.81 2wgq n PRO 700 Ca 0.12 0.46 -0.45 0.00 -2.02 0.00 0.00 63.50 61.61 2wgq n PRO 700 Cb 0.47 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 2wgq n PRO 700 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2wgq n THR 701 N -0.74 0.35 -4.43 3.45 -1.04 -1.26 -4.76 114.28 105.84 2wgq n THR 701 Ca 0.10 -0.06 -0.31 0.00 -2.04 0.00 0.00 64.05 61.73 2wgq n THR 701 Cb 0.41 -1.90 -0.10 0.00 -1.82 0.00 0.00 70.33 66.91 2wgq n THR 701 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wgq s GLU 702 N 2.70 2.41 0.08 -2.82 0.41 0.36 -4.91 118.70 116.92 2wgq s GLU 702 Ca 0.84 -0.82 0.07 0.00 -0.41 0.00 0.00 54.97 54.65 2wgq s GLU 702 Cb -0.59 -2.42 -0.03 0.00 -1.78 0.00 0.00 34.13 29.30 2wgq s GLU 702 CO 0.42 0.57 -0.18 -1.58 -0.49 0.00 0.00 175.26 174.00 2wgq s TRP 703 N -1.04 1.53 0.11 1.61 0.52 -1.26 -1.01 118.94 119.40 2wgq s TRP 703 Ca 0.18 -0.43 0.07 0.00 0.02 0.00 0.00 56.10 55.95 2wgq s TRP 703 Cb -0.11 -0.86 -0.04 0.00 -1.15 0.00 0.00 33.47 31.32 2wgq s TRP 703 CO 0.09 0.13 -0.18 0.14 0.02 0.00 0.00 176.95 177.15 2wgq s VAL 704 N -1.16 1.56 0.09 4.03 -7.23 -0.69 0.25 120.40 117.25 2wgq s VAL 704 Ca 0.03 -1.60 0.09 0.00 -1.81 0.00 0.00 61.98 58.69 2wgq s VAL 704 Cb -0.10 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 2wgq s VAL 704 CO 0.03 -0.20 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.39 2wgq s HIS 705 N -1.51 2.00 0.19 2.82 0.09 0.62 -2.23 115.29 117.26 2wgq s HIS 705 Ca 0.07 -0.40 0.03 0.00 -0.00 0.00 0.00 55.06 54.76 2wgq s HIS 705 Cb -0.08 -1.13 -0.05 0.00 -0.00 0.00 0.00 32.58 31.32 2wgq s HIS 705 CO 0.04 0.20 -0.02 0.95 -0.00 0.00 0.00 174.74 175.91 2wgq s THR 706 N -0.99 0.88 -0.00 1.30 -4.23 0.37 -1.27 115.64 111.70 2wgq s THR 706 Ca 0.09 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.45 2wgq s THR 706 Cb -0.10 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.62 2wgq s THR 706 CO 0.04 -0.47 0.30 -0.22 -0.54 0.00 0.00 174.62 173.72 2wgq s LEU 707 N -3.22 0.90 -0.15 4.79 2.96 -0.43 -1.70 118.68 121.83 2wgq s LEU 707 Ca 0.24 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 2wgq s LEU 707 Cb 0.05 1.25 0.05 0.00 0.50 0.00 0.00 46.19 48.04 2wgq s LEU 707 CO 0.05 -0.47 0.04 -0.76 -1.32 0.00 0.00 176.35 173.88 2wgq s LEU 708 N -1.47 0.86 -0.05 -0.68 1.43 -0.10 -0.72 118.68 117.95 2wgq s LEU 708 Ca -0.12 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.47 2wgq s LEU 708 Cb -0.05 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 2wgq s LEU 708 CO 0.03 -0.28 -0.23 -0.54 0.23 0.00 0.00 176.35 175.56 2wgq s LYS 709 N 1.94 2.51 0.17 1.70 1.02 -0.47 -0.10 119.74 126.52 2wgq s LYS 709 Ca 0.01 -0.86 -0.32 0.00 0.02 0.00 0.00 55.97 54.82 2wgq s LYS 709 Cb -0.15 -2.20 -0.12 0.00 -0.52 0.00 0.00 37.83 34.84 2wgq s LYS 709 CO -0.07 0.44 1.76 -2.30 -0.92 0.00 0.00 175.35 174.26 2wgq n PRO 710 N 2.79 2.75 -3.92 -1.68 -0.02 -1.26 0.43 135.00 134.09 2wgq n PRO 710 Ca -0.17 0.99 -0.30 0.00 -2.02 0.00 0.00 63.50 62.00 2wgq n PRO 710 Cb 0.52 -2.85 -0.15 0.00 -0.02 0.00 0.00 33.50 30.99 2wgq n PRO 710 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2wgq s TRP 711 N 1.73 2.72 -0.95 6.00 -0.11 0.27 -4.63 118.94 123.97 2wgq s TRP 711 Ca 0.78 -2.19 0.00 0.00 1.22 0.00 0.00 56.10 55.91 2wgq s TRP 711 Cb -0.51 -2.07 0.00 0.00 -1.50 0.00 0.00 33.47 29.40 2wgq s TRP 711 CO 0.34 -0.86 0.00 0.09 -4.62 0.00 0.00 176.95 171.90 2wgq n ASN 712 N 4.57 -3.08 -0.00 5.86 3.02 -1.26 -1.59 115.26 122.77 2wgq n ASN 712 Ca -0.04 0.25 -0.05 0.00 -0.03 0.00 0.00 54.58 54.71 2wgq n ASN 712 Cb 0.43 -2.78 0.17 0.00 -0.61 0.00 0.00 39.78 36.99 2wgq n ASN 712 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2wgq h PHE 713 N 0.00 0.61 -0.89 3.10 3.57 -1.82 -3.36 116.94 118.15 2wgq h PHE 713 Ca -0.23 -0.14 -0.57 0.00 3.53 0.00 0.00 57.97 60.57 2wgq h PHE 713 Cb 0.96 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 2wgq h PHE 713 CO 0.55 0.75 -0.35 -0.06 -2.23 0.00 0.00 178.31 176.97 2wgq s PHE 714 N -4.49 1.98 -0.68 0.41 0.08 -1.26 -4.87 117.98 109.16 2wgq s PHE 714 Ca -0.07 -0.75 0.23 0.00 0.12 0.00 0.00 56.93 56.46 2wgq s PHE 714 Cb 0.13 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 2wgq s PHE 714 CO 0.80 -0.28 1.02 -0.25 -0.10 0.00 0.00 175.22 176.41 2wgq n ASP 715 N -1.62 0.63 -3.40 1.36 8.00 -1.26 -4.79 116.55 115.47 2wgq n ASP 715 Ca -0.01 -0.32 -0.04 0.00 0.71 0.00 0.00 54.79 55.13 2wgq n ASP 715 Cb 0.64 0.83 0.01 0.00 -0.02 0.00 0.00 41.12 42.58 2wgq n ASP 715 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2wgq s GLU 716 N -3.17 1.35 -0.25 -1.24 -1.05 -1.26 -4.98 118.70 108.11 2wgq s GLU 716 Ca 0.04 -0.85 -0.37 0.00 -0.15 0.00 0.00 54.97 53.64 2wgq s GLU 716 Cb 0.15 0.39 -0.13 0.00 -0.44 0.00 0.00 34.13 34.10 2wgq s GLU 716 CO 0.81 -0.63 1.93 2.41 0.95 0.00 0.00 175.26 180.73 2wgq n THR 717 N -0.65 0.36 0.43 1.83 -1.04 -1.26 -4.78 114.28 109.17 2wgq n THR 717 Ca -0.04 -0.14 0.07 0.00 -2.04 0.00 0.00 64.05 61.91 2wgq n THR 717 Cb 0.60 -1.56 0.31 0.00 -1.82 0.00 0.00 70.33 67.86 2wgq n THR 717 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wgq n PRO 718 N 6.69 0.03 -0.23 -2.82 -0.02 -1.26 -2.55 135.00 134.85 2wgq n PRO 718 Ca 0.30 0.31 0.06 0.00 -2.02 0.00 0.00 63.50 62.15 2wgq n PRO 718 Cb 0.21 -1.57 0.17 0.00 -0.02 0.00 0.00 33.50 32.29 2wgq n PRO 718 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wgq n THR 719 N -1.63 1.38 0.08 3.45 -2.24 -1.26 -4.46 114.28 109.60 2wgq n THR 719 Ca 0.03 -1.29 0.03 0.00 -2.27 0.00 0.00 64.05 60.56 2wgq n THR 719 Cb 0.16 0.27 0.43 0.00 -2.10 0.00 0.00 70.33 69.09 2wgq n THR 719 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wgq h LEU 720 N 1.69 0.32 0.00 3.22 3.38 -1.88 -3.49 115.31 118.55 2wgq h LEU 720 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2wgq h LEU 720 Cb 0.91 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2wgq h LEU 720 CO 0.06 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.54 2wgq n GLY 721 N -1.19 1.56 3.66 0.83 0.00 -1.26 -5.01 105.19 103.77 2wgq n GLY 721 Ca 0.01 -2.00 -0.45 0.00 0.00 0.00 0.00 46.02 43.58 2wgq n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgq n ALA 722 N 1.68 0.93 -1.85 4.61 0.00 -1.26 -4.94 120.51 119.68 2wgq n ALA 722 Ca 0.00 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.45 2wgq n ALA 722 Cb 0.00 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.15 2wgq n ALA 722 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wgq s LEU 723 N -0.00 4.61 -0.18 0.00 2.96 -1.26 -4.98 118.68 119.83 2wgq s LEU 723 Ca 0.66 1.82 -0.15 0.00 -0.22 0.00 0.00 54.13 56.24 2wgq s LEU 723 Cb -0.66 -3.51 -0.07 0.00 0.50 0.00 0.00 46.19 42.46 2wgq s LEU 723 CO 0.52 0.17 -0.31 0.29 -1.32 0.00 0.00 176.35 175.69 2wgq n LYS 724 N 1.47 0.49 -1.49 1.98 5.02 -1.26 -4.93 118.16 119.43 2wgq n LYS 724 Ca -0.03 0.20 -0.44 0.00 -2.02 0.00 0.00 58.31 56.02 2wgq n LYS 724 Cb 0.48 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 34.06 2wgq n LYS 724 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wgq n LYS 725 N -4.28 0.71 0.00 1.97 4.76 -1.26 -4.67 118.16 115.39 2wgq n LYS 725 Ca -0.24 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 2wgq n LYS 725 Cb 0.58 -2.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 2wgq n LYS 725 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2wgq n ASP 726 N 11.81 -0.00 0.00 4.39 4.64 -1.26 -5.28 116.55 130.84 2wgq n ASP 726 Ca 0.48 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.89 2wgq n ASP 726 Cb 0.26 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.34 2wgq n ASP 726 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67