#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgq s HIS 6 N 0.00 0.10 -0.09 0.00 5.65 -1.26 -5.13 115.29 114.56 2wgq s HIS 6 Ca 0.00 0.02 -0.02 0.00 0.25 0.00 0.00 55.06 55.31 2wgq s HIS 6 Cb 0.00 -0.56 -0.03 0.00 -1.18 0.00 0.00 32.58 30.80 2wgq s HIS 6 CO 0.00 -0.34 0.01 -1.64 -0.65 0.00 0.00 174.74 172.12 2wgq s MET 7 N 2.16 3.02 0.28 2.88 1.00 -1.26 -3.18 119.30 124.19 2wgq s MET 7 Ca 0.04 -0.39 0.03 0.00 0.00 0.00 0.00 55.69 55.37 2wgq s MET 7 Cb -0.14 -2.83 -0.03 0.00 0.00 0.00 0.00 34.83 31.83 2wgq s MET 7 CO -0.06 0.71 0.43 0.14 0.00 0.00 0.00 175.02 176.23 2wgq s VAL 8 N -0.90 5.21 0.05 -6.03 -7.23 0.16 -4.88 120.40 106.78 2wgq s VAL 8 Ca 0.14 -0.79 -0.31 0.00 -1.81 0.00 0.00 61.98 59.21 2wgq s VAL 8 Cb -0.11 -3.86 -0.07 0.00 0.56 0.00 0.00 36.38 32.90 2wgq s VAL 8 CO 0.03 -0.40 1.38 -2.84 -0.31 0.00 0.00 175.10 172.95 2wgq s PRO 9 N -4.08 4.31 0.02 4.82 0.02 -1.26 -1.57 135.00 137.26 2wgq s PRO 9 Ca 0.36 2.00 -0.19 0.00 0.02 0.00 0.00 61.00 63.19 2wgq s PRO 9 Cb -0.09 -3.42 -0.11 0.00 0.02 0.00 0.00 34.50 30.90 2wgq s PRO 9 CO 0.31 -0.49 1.11 1.98 -0.33 0.00 0.00 177.00 179.58 2wgq h MET 10 N 7.33 -0.66 -0.92 5.54 4.05 -1.16 -1.74 114.93 127.37 2wgq h MET 10 Ca -0.40 0.05 0.18 0.00 -0.28 0.00 0.00 59.70 59.24 2wgq h MET 10 Cb 1.19 0.15 -0.11 0.00 -0.80 0.00 0.00 31.60 32.04 2wgq h MET 10 CO 0.88 -0.44 0.50 -0.44 0.23 0.00 0.00 176.91 177.64 2wgq h ASP 11 N -0.80 0.60 0.45 1.39 5.19 -1.94 -0.50 116.42 120.81 2wgq h ASP 11 Ca -0.07 0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 2wgq h ASP 11 Cb 0.53 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.05 2wgq h ASP 11 CO 0.12 0.20 -0.22 0.50 -3.12 0.00 0.00 179.24 176.72 2wgq h LYS 12 N 0.64 -0.59 -0.02 3.56 3.11 -1.93 -2.77 116.57 118.57 2wgq h LYS 12 Ca 0.53 0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 58.25 2wgq h LYS 12 Cb 0.84 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.19 2wgq h LYS 12 CO -0.40 -0.29 -0.73 1.79 -2.81 0.00 0.00 179.45 177.01 2wgq h THR 13 N -0.87 1.46 -0.66 1.00 1.35 -1.10 -2.61 112.91 111.49 2wgq h THR 13 Ca -0.06 -2.35 -0.08 0.00 -0.55 0.00 0.00 66.41 63.37 2wgq h THR 13 Cb 0.57 2.26 -0.03 0.00 -1.73 0.00 0.00 68.15 69.23 2wgq h THR 13 CO 0.10 0.68 0.11 -0.07 -0.25 0.00 0.00 175.52 176.09 2wgq h LEU 14 N 0.09 1.05 -0.69 3.87 3.38 -1.21 -0.45 115.31 121.36 2wgq h LEU 14 Ca -0.02 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 2wgq h LEU 14 Cb 1.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2wgq h LEU 14 CO 0.11 1.04 -0.64 0.50 0.09 0.00 0.00 178.44 179.54 2wgq h LYS 15 N 1.01 0.00 -0.18 1.13 1.63 -1.43 -1.96 116.57 116.77 2wgq h LYS 15 Ca 0.20 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.93 2wgq h LYS 15 Cb 0.44 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2wgq h LYS 15 CO 0.01 0.64 -0.18 1.49 -3.45 0.00 0.00 179.45 177.96 2wgq h GLU 16 N 0.00 0.30 0.00 1.90 4.81 -1.27 -2.17 114.58 118.15 2wgq h GLU 16 Ca -0.01 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2wgq h GLU 16 Cb 1.16 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2wgq h GLU 16 CO 0.08 0.48 0.00 0.34 -0.73 0.00 0.00 179.01 179.18 2wgq n PHE 17 N -4.21 0.89 -0.14 0.92 7.35 -0.19 -4.93 117.46 117.15 2wgq n PHE 17 Ca -0.01 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 2wgq n PHE 17 Cb 0.32 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 39.18 2wgq n PHE 17 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wgq n GLY 18 N 0.81 0.71 3.89 7.13 0.00 -0.81 -5.08 105.19 111.83 2wgq n GLY 18 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.16 2.93 -0.15 4.61 0.00 -0.93 -4.88 121.76 121.17 2wgq s ALA 19 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 2wgq s ALA 19 Cb 0.00 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 2wgq s ALA 19 CO 0.00 -1.11 -0.05 0.34 0.00 0.00 0.00 175.76 174.95 2wgq s ASP 20 N -4.35 4.69 -0.18 0.00 2.15 0.53 -4.41 116.67 115.10 2wgq s ASP 20 Ca 0.58 -0.16 -0.02 0.00 0.43 0.00 0.00 52.55 53.38 2wgq s ASP 20 Cb -0.11 -1.76 -0.01 0.00 -0.30 0.00 0.00 42.92 40.74 2wgq s ASP 20 CO 0.51 0.16 -0.09 -0.69 -0.17 0.00 0.00 175.17 174.89 2wgq s VAL 21 N 0.38 3.12 -0.11 1.11 1.01 -1.26 -1.95 120.40 122.69 2wgq s VAL 21 Ca -0.05 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2wgq s VAL 21 Cb -0.14 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.88 2wgq s VAL 21 CO 0.03 0.48 -0.20 -1.10 0.00 0.00 0.00 175.10 174.31 2wgq s GLN 22 N 1.00 2.68 -0.11 2.72 -0.21 -0.48 -5.00 119.66 120.26 2wgq s GLN 22 Ca -0.01 -0.74 -0.05 0.00 0.02 0.00 0.00 55.36 54.58 2wgq s GLN 22 Cb -0.15 -2.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 2wgq s GLN 22 CO -0.01 0.04 0.08 -0.46 -2.12 0.00 0.00 175.29 172.82 2wgq s TRP 23 N 0.70 3.41 -0.24 0.91 -0.11 -1.26 -1.24 118.94 121.10 2wgq s TRP 23 Ca -0.11 0.38 0.01 0.00 1.22 0.00 0.00 56.10 57.59 2wgq s TRP 23 Cb -0.16 -1.88 0.06 0.00 -1.50 0.00 0.00 33.47 29.99 2wgq s TRP 23 CO 0.02 0.61 -0.03 0.34 -4.62 0.00 0.00 176.95 173.27 2wgq s ASP 24 N -0.92 3.84 0.33 5.86 2.15 -0.56 -5.01 116.67 122.36 2wgq s ASP 24 Ca 0.14 -1.23 0.08 0.00 0.43 0.00 0.00 52.55 51.97 2wgq s ASP 24 Cb -0.12 -1.14 0.60 0.00 -0.30 0.00 0.00 42.92 41.96 2wgq s ASP 24 CO 0.03 -0.26 1.79 -0.78 -0.17 0.00 0.00 175.17 175.78 2wgq h ASP 25 N 7.97 0.20 -0.51 -0.34 3.58 -1.97 -1.66 116.42 123.69 2wgq h ASP 25 Ca -0.17 -0.07 -0.09 0.00 0.42 0.00 0.00 57.03 57.12 2wgq h ASP 25 Cb 1.07 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.05 2wgq h ASP 25 CO 0.42 0.52 -0.04 0.22 -2.88 0.00 0.00 179.24 177.48 2wgq h TYR 26 N 0.18 1.02 -0.25 0.28 3.20 -1.96 -2.76 116.97 116.68 2wgq h TYR 26 Ca 0.02 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.70 2wgq h TYR 26 Cb 0.65 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.66 2wgq h TYR 26 CO 0.01 0.95 0.00 0.00 -1.64 0.00 0.00 178.16 177.48 2wgq n ALA 27 N -2.46 2.46 -3.97 1.82 0.00 -1.20 -4.97 120.51 112.19 2wgq n ALA 27 Ca 0.01 -0.79 -0.38 0.00 0.00 0.00 0.00 53.44 52.28 2wgq n ALA 27 Cb 0.35 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 1.08 -0.97 -3.98 0.00 1.13 -0.68 -4.97 117.38 108.99 2wgq n GLN 28 Ca 0.18 0.23 -0.16 0.00 -1.94 0.00 0.00 57.00 55.30 2wgq n GLN 28 Cb 0.52 -3.35 -0.15 0.00 0.11 0.00 0.00 30.24 27.36 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 -7.11 1.47 -0.08 1.08 1.98 -0.87 -4.25 118.68 110.91 2wgq s LEU 29 Ca 0.38 -0.04 -0.16 0.00 -2.89 0.00 0.00 54.13 51.42 2wgq s LEU 29 Cb -0.18 -0.21 -0.05 0.00 0.66 0.00 0.00 46.19 46.41 2wgq s LEU 29 CO 0.93 -0.05 0.40 -0.36 -1.89 0.00 0.00 176.35 175.39 2wgq s PHE 30 N 0.62 3.60 -0.21 5.38 0.08 0.08 -1.50 117.98 126.03 2wgq s PHE 30 Ca -0.06 0.86 -0.04 0.00 0.12 0.00 0.00 56.93 57.82 2wgq s PHE 30 Cb -0.09 -2.38 -0.01 0.00 -0.57 0.00 0.00 43.02 39.97 2wgq s PHE 30 CO -0.01 0.40 -0.05 0.99 -0.10 0.00 0.00 175.22 176.45 2wgq s THR 31 N -0.18 3.36 -0.19 0.64 2.01 -0.37 -1.26 115.64 119.65 2wgq s THR 31 Ca 0.23 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 2wgq s THR 31 Cb -0.15 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.85 2wgq s THR 31 CO 0.10 0.44 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.57 2wgq s LEU 32 N 1.33 2.46 -0.04 4.42 1.02 0.92 -1.38 118.68 127.41 2wgq s LEU 32 Ca 0.04 -0.53 0.05 0.00 0.02 0.00 0.00 54.13 53.71 2wgq s LEU 32 Cb -0.14 -1.59 -0.01 0.00 0.02 0.00 0.00 46.19 44.47 2wgq s LEU 32 CO -0.02 0.00 -0.20 -0.63 0.02 0.00 0.00 176.35 175.52 2wgq s ILE 33 N 1.30 1.67 -0.30 -0.59 1.01 -0.82 -0.30 121.20 123.17 2wgq s ILE 33 Ca 0.04 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 2wgq s ILE 33 Cb -0.14 -1.41 0.13 0.00 0.01 0.00 0.00 42.46 41.05 2wgq s ILE 33 CO -0.08 0.47 0.66 -0.75 0.00 0.00 0.00 174.94 175.24 2wgq s LYS 34 N -0.13 0.58 3.59 2.79 2.20 -0.35 -0.34 119.74 128.08 2wgq s LYS 34 Ca -0.01 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 2wgq s LYS 34 Cb -0.12 0.84 0.00 0.00 -1.51 0.00 0.00 37.83 37.05 2wgq s LYS 34 CO 0.02 -0.20 0.00 -0.25 -0.36 0.00 0.00 175.35 174.56 2wgq n ASP 35 N 5.39 0.00 -0.26 1.43 8.00 -1.26 -0.76 116.55 129.09 2wgq n ASP 35 Ca -0.12 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.51 2wgq n ASP 35 Cb 0.49 0.00 0.48 0.00 -0.02 0.00 0.00 41.12 42.08 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 -0.56 3.63 0.44 0.00 -1.26 -4.82 105.19 102.62 2wgq n GLY 36 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.37 3.62 -0.29 4.61 0.00 0.06 -4.49 121.76 122.89 2wgq s ALA 37 Ca 0.29 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2wgq s ALA 37 Cb 0.20 -3.13 0.08 0.00 0.00 0.00 0.00 23.12 20.27 2wgq s ALA 37 CO 0.46 -0.88 0.01 -0.47 0.00 0.00 0.00 175.76 174.88 2wgq s TYR 38 N 2.64 2.95 -0.07 0.00 6.14 -1.26 -1.21 117.35 126.54 2wgq s TYR 38 Ca 0.29 -2.34 0.01 0.00 0.64 0.00 0.00 57.07 55.68 2wgq s TYR 38 Cb -0.15 -2.19 -0.03 0.00 0.42 0.00 0.00 41.96 40.01 2wgq s TYR 38 CO 0.08 -0.88 -0.09 0.08 0.64 0.00 0.00 175.55 175.38 2wgq s VAL 39 N 1.19 3.49 -0.08 3.14 1.01 0.59 -1.25 120.40 128.48 2wgq s VAL 39 Ca 0.03 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2wgq s VAL 39 Cb -0.19 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.79 2wgq s VAL 39 CO -0.10 0.59 -0.11 -0.54 0.00 0.00 0.00 175.10 174.93 2wgq s LYS 40 N -0.64 1.69 -0.09 2.72 1.02 -0.49 -0.06 119.74 123.89 2wgq s LYS 40 Ca 0.10 -0.38 -0.06 0.00 0.02 0.00 0.00 55.97 55.65 2wgq s LYS 40 Cb -0.11 -1.50 0.03 0.00 -0.52 0.00 0.00 37.83 35.72 2wgq s LYS 40 CO 0.02 -0.07 0.21 0.54 -0.92 0.00 0.00 175.35 175.13 2wgq s VAL 41 N 1.01 -0.02 -0.02 3.17 0.11 -0.39 -1.57 120.40 122.69 2wgq s VAL 41 Ca -0.08 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.92 2wgq s VAL 41 Cb -0.15 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 2wgq s VAL 41 CO -0.01 0.03 0.32 -0.54 -3.33 0.00 0.00 175.10 171.57 2wgq s LYS 42 N 0.56 3.75 0.20 1.54 1.02 -1.26 -0.74 119.74 124.81 2wgq s LYS 42 Ca -0.04 0.21 -0.32 0.00 0.02 0.00 0.00 55.97 55.84 2wgq s LYS 42 Cb -0.05 -3.18 -0.12 0.00 -0.52 0.00 0.00 37.83 33.95 2wgq s LYS 42 CO -0.03 0.70 1.68 -2.30 -0.92 0.00 0.00 175.35 174.48 2wgq n PRO 43 N 1.72 2.62 -0.40 -1.68 -0.02 -1.26 -2.17 135.00 133.80 2wgq n PRO 43 Ca -0.15 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2wgq n PRO 43 Cb 0.53 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 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 3.75 1.87 3.76 -1.23 0.00 0.15 -4.96 105.19 108.53 2wgq n GLY 44 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.12 3.31 -1.77 4.61 0.00 -0.92 -4.87 121.76 119.00 2wgq s ALA 45 Ca 0.00 0.68 0.31 0.00 0.00 0.00 0.00 51.96 52.95 2wgq s ALA 45 Cb 0.00 -3.24 1.63 0.00 0.00 0.00 0.00 23.12 21.51 2wgq s ALA 45 CO 0.00 0.07 2.09 1.04 0.00 0.00 0.00 175.76 178.96 2wgq n GLN 46 N 1.11 0.79 -4.10 0.00 6.02 -1.26 -4.39 117.38 115.55 2wgq n GLN 46 Ca -0.00 -0.08 -0.11 0.00 -0.01 0.00 0.00 57.00 56.79 2wgq n GLN 46 Cb 0.47 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.13 2wgq n GLN 46 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2wgq s THR 47 N -2.27 0.52 0.47 5.09 -4.23 -1.26 -0.90 115.64 113.06 2wgq s THR 47 Ca 0.38 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 2wgq s THR 47 Cb 0.21 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.92 2wgq s THR 47 CO 0.42 -0.67 0.05 0.00 -0.54 0.00 0.00 174.62 173.87 2wgq n ALA 48 N 0.69 0.48 -3.63 3.99 0.00 0.29 -4.66 120.51 117.67 2wgq n ALA 48 Ca -0.17 -2.18 -0.26 0.00 0.00 0.00 0.00 53.44 50.83 2wgq n ALA 48 Cb 0.58 1.29 -0.17 0.00 0.00 0.00 0.00 19.45 21.15 2wgq n ALA 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wgq s ILE 49 N -2.90 1.14 -0.16 0.00 -1.09 -0.61 -0.21 121.20 117.38 2wgq s ILE 49 Ca 0.08 -0.44 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 2wgq s ILE 49 Cb 0.00 -1.08 0.01 0.00 -1.58 0.00 0.00 42.46 39.81 2wgq s ILE 49 CO 0.05 0.37 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.25 2wgq s VAL 50 N 1.03 2.21 -1.48 2.92 1.01 0.19 -1.40 120.40 124.89 2wgq s VAL 50 Ca -0.07 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 2wgq s VAL 50 Cb -0.15 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.36 2wgq s VAL 50 CO -0.01 0.54 0.46 0.59 0.00 0.00 0.00 175.10 176.68 2wgq n ASN 51 N 4.24 -0.83 0.00 3.32 5.03 -0.38 0.37 115.26 127.01 2wgq n ASN 51 Ca -0.20 -1.03 0.00 0.00 0.87 0.00 0.00 54.58 54.22 2wgq n ASN 51 Cb 0.51 -2.88 0.00 0.00 -1.02 0.00 0.00 39.78 36.39 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 -1.92 1.05 3.62 7.41 0.00 -1.17 -4.56 105.19 109.62 2wgq n GLY 52 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.20 2.70 0.15 1.61 -1.52 0.16 -5.08 119.66 117.49 2wgq s GLN 53 Ca 0.00 -0.61 -0.31 0.00 -1.95 0.00 0.00 55.36 52.49 2wgq s GLN 53 Cb 0.00 -2.59 -0.08 0.00 -0.22 0.00 0.00 33.01 30.12 2wgq s GLN 53 CO 0.00 0.64 1.32 -2.14 -0.25 0.00 0.00 175.29 174.85 2wgq s PRO 54 N -1.20 4.38 -0.10 2.91 0.02 -1.26 0.53 135.00 140.27 2wgq s PRO 54 Ca 0.16 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.20 2wgq s PRO 54 Cb -0.11 -3.23 0.02 0.00 0.02 0.00 0.00 34.50 31.20 2wgq s PRO 54 CO 0.06 -0.30 -0.10 -1.17 -0.33 0.00 0.00 177.00 175.15 2wgq s LEU 55 N 0.42 1.39 0.11 -5.54 2.96 0.71 -4.88 118.68 113.86 2wgq s LEU 55 Ca 0.59 -0.32 -0.31 0.00 -0.22 0.00 0.00 54.13 53.87 2wgq s LEU 55 Cb -0.36 -0.87 -0.08 0.00 0.50 0.00 0.00 46.19 45.38 2wgq s LEU 55 CO 0.34 -0.06 1.43 0.00 -1.32 0.00 0.00 176.35 176.74 2wgq s ALA 56 N 1.34 3.62 -0.02 5.97 0.00 -1.26 0.11 121.76 131.52 2wgq s ALA 56 Ca -0.01 1.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 2wgq s ALA 56 Cb -0.14 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 2wgq s ALA 56 CO -0.05 -0.69 0.43 -0.51 0.00 0.00 0.00 175.76 174.95 2wgq s LEU 57 N 1.29 4.44 0.02 0.00 1.43 -0.07 -4.87 118.68 120.92 2wgq s LEU 57 Ca 0.66 0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 54.58 2wgq s LEU 57 Cb -0.38 -2.62 -0.07 0.00 0.03 0.00 0.00 46.19 43.15 2wgq s LEU 57 CO 0.30 0.26 1.20 1.56 0.23 0.00 0.00 176.35 179.91 2wgq h GLN 58 N 5.07 -0.47 -4.88 1.70 4.20 -1.96 -3.43 115.11 115.36 2wgq h GLN 58 Ca -0.49 0.03 -0.67 0.00 0.06 0.00 0.00 58.65 57.57 2wgq h GLN 58 Cb 1.21 0.11 -0.31 0.00 0.30 0.00 0.00 27.48 28.78 2wgq h GLN 58 CO 0.64 -0.31 -0.72 0.08 -0.67 0.00 0.00 178.83 177.85 2wgq s VAL 59 N -4.07 3.04 0.48 -0.54 1.01 -1.26 -5.09 120.40 113.97 2wgq s VAL 59 Ca -0.07 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 2wgq s VAL 59 Cb 0.01 -2.57 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 2wgq s VAL 59 CO 0.22 0.15 0.97 -2.65 0.00 0.00 0.00 175.10 173.78 2wgq n PRO 60 N 4.69 1.19 -2.06 2.72 -0.02 -1.26 -4.61 135.00 135.65 2wgq n PRO 60 Ca -0.16 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 2wgq n PRO 60 Cb 0.47 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.38 2.75 -0.15 -1.45 1.01 -1.26 -4.79 120.40 115.12 2wgq s VAL 61 Ca 0.67 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.30 2wgq s VAL 61 Cb -0.50 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 2wgq s VAL 61 CO 0.54 0.11 -0.15 0.68 0.00 0.00 0.00 175.10 176.28 2wgq s VAL 62 N -0.23 2.72 0.44 2.92 -7.23 -0.57 0.31 120.40 118.76 2wgq s VAL 62 Ca 0.57 -0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 59.78 2wgq s VAL 62 Cb -0.41 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.28 2wgq s VAL 62 CO 0.45 0.51 0.96 -0.04 -0.31 0.00 0.00 175.10 176.67 2wgq s MET 63 N 0.77 4.18 0.00 4.82 -1.94 -1.26 0.27 119.30 126.14 2wgq s MET 63 Ca -0.06 1.10 0.00 0.00 -1.71 0.00 0.00 55.69 55.02 2wgq s MET 63 Cb -0.15 -2.17 0.00 0.00 2.01 0.00 0.00 34.83 34.51 2wgq s MET 63 CO 0.01 -0.07 0.00 1.63 -0.01 0.00 0.00 175.02 176.58 2wgq n LYS 64 N -0.79 0.00 -0.49 2.03 4.76 0.21 -4.89 118.16 119.00 2wgq n LYS 64 Ca 0.07 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.46 2wgq n LYS 64 Cb 0.54 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.66 2wgq n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2wgq n ASP 65 N 0.00 2.99 -3.77 4.39 -0.08 -1.26 -4.22 116.55 114.59 2wgq n ASP 65 Ca 0.00 -1.99 -0.29 0.00 -1.51 0.00 0.00 54.79 51.00 2wgq n ASP 65 Cb 0.00 -0.76 -0.01 0.00 2.34 0.00 0.00 41.12 42.69 2wgq n ASP 65 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2wgq n ASN 66 N 2.44 -3.83 -4.40 1.67 5.15 -1.26 -5.00 115.26 110.04 2wgq n ASN 66 Ca 0.18 -0.68 -0.28 0.00 -0.60 0.00 0.00 54.58 53.19 2wgq n ASN 66 Cb 0.46 -3.13 -0.13 0.00 -0.53 0.00 0.00 39.78 36.45 2wgq n ASN 66 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wgq s LYS 67 N -6.45 1.43 -0.07 1.20 1.02 -1.26 -5.14 119.74 110.47 2wgq s LYS 67 Ca 0.58 -1.40 -0.03 0.00 0.02 0.00 0.00 55.97 55.14 2wgq s LYS 67 Cb -0.31 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 2wgq s LYS 67 CO 0.71 0.43 0.08 0.00 -0.92 0.00 0.00 175.35 175.65 2wgq s ALA 68 N -1.26 3.62 0.09 5.17 0.00 -1.26 -0.62 121.76 127.51 2wgq s ALA 68 Ca 0.16 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.44 2wgq s ALA 68 Cb -0.09 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 2wgq s ALA 68 CO 0.07 0.64 -0.22 -1.58 0.00 0.00 0.00 175.76 174.67 2wgq s TRP 69 N -1.05 1.89 0.05 0.00 0.52 0.14 -0.56 118.94 119.93 2wgq s TRP 69 Ca 0.18 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.91 2wgq s TRP 69 Cb -0.12 -1.05 -0.03 0.00 -1.15 0.00 0.00 33.47 31.12 2wgq s TRP 69 CO 0.07 0.20 -0.07 0.14 0.02 0.00 0.00 176.95 177.31 2wgq s VAL 70 N -1.06 0.53 0.50 4.03 -7.23 -0.61 -1.51 120.40 115.04 2wgq s VAL 70 Ca 0.08 -1.27 -0.23 0.00 -1.81 0.00 0.00 61.98 58.75 2wgq s VAL 70 Cb -0.10 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 35.93 2wgq s VAL 70 CO 0.04 -0.51 1.19 -1.54 -0.31 0.00 0.00 175.10 173.97 2wgq n SER 71 N 1.11 2.03 0.00 4.85 3.41 -1.26 -0.67 113.62 123.09 2wgq n SER 71 Ca -0.20 0.99 0.01 0.00 -0.26 0.00 0.00 58.87 59.41 2wgq n SER 71 Cb 0.56 -1.48 0.06 0.00 -0.26 0.00 0.00 64.21 63.09 2wgq n SER 71 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2wgq n ASP 72 N -0.32 0.00 -0.51 4.04 5.75 -1.19 -1.06 116.55 123.26 2wgq n ASP 72 Ca 0.10 0.23 0.06 0.00 -0.01 0.00 0.00 54.79 55.16 2wgq n ASP 72 Cb 0.43 -0.27 0.08 0.00 -1.03 0.00 0.00 41.12 40.33 2wgq n ASP 72 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2wgq n THR 73 N -1.27 0.35 0.34 2.12 5.66 -1.26 -4.75 114.28 115.47 2wgq n THR 73 Ca 0.01 -0.67 -0.14 0.00 -3.05 0.00 0.00 64.05 60.19 2wgq n THR 73 Cb 0.02 0.97 -0.07 0.00 -1.55 0.00 0.00 70.33 69.70 2wgq n THR 73 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 2wgq h PHE 74 N 2.11 -0.84 -0.39 1.09 3.57 -1.44 -1.22 116.94 119.82 2wgq h PHE 74 Ca 0.00 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.56 2wgq h PHE 74 Cb 0.55 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.48 2wgq h PHE 74 CO 0.08 -0.51 -0.25 0.82 -2.23 0.00 0.00 178.31 176.22 2wgq h ILE 75 N -1.22 0.33 -0.94 1.41 2.04 -1.85 0.13 117.51 117.41 2wgq h ILE 75 Ca -0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.80 2wgq h ILE 75 Cb 0.71 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 2wgq h ILE 75 CO 0.15 0.00 0.62 -1.13 0.00 0.00 0.00 178.15 177.79 2wgq h ASN 76 N -0.18 1.03 0.56 1.72 -0.73 -1.89 0.14 115.58 116.22 2wgq h ASN 76 Ca 0.19 -0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.25 2wgq h ASN 76 Cb 0.48 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 2wgq h ASN 76 CO -0.50 0.71 -0.43 0.44 -0.37 0.00 0.00 177.43 177.28 2wgq h ASP 77 N 1.21 0.00 0.00 1.15 5.19 0.32 -2.18 116.42 122.11 2wgq h ASP 77 Ca 0.37 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.70 2wgq h ASP 77 Cb -0.02 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 2wgq h ASP 77 CO -0.11 0.43 -0.89 0.52 -3.12 0.00 0.00 179.24 176.07 2wgq n VAL 78 N -3.84 1.46 0.08 -1.35 0.31 0.25 -4.05 118.33 111.20 2wgq n VAL 78 Ca -0.01 0.11 -0.13 0.00 -0.01 0.00 0.00 64.34 64.30 2wgq n VAL 78 Cb 0.48 -2.28 -0.07 0.00 -0.91 0.00 0.00 33.84 31.06 2wgq n VAL 78 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wgq h PHE 79 N -1.00 0.47 -0.76 3.52 0.04 -0.87 -3.10 116.94 115.25 2wgq h PHE 79 Ca -0.12 -0.29 -0.39 0.00 2.80 0.00 0.00 57.97 59.97 2wgq h PHE 79 Cb 0.83 -0.04 -0.23 0.00 2.20 0.00 0.00 35.95 38.71 2wgq h PHE 79 CO -0.18 1.15 0.50 1.04 -0.60 0.00 0.00 178.31 180.21 2wgq n GLN 80 N -3.64 2.00 0.16 1.51 3.00 -0.82 -4.52 117.38 115.07 2wgq n GLN 80 Ca -0.06 -2.31 0.11 0.00 -0.01 0.00 0.00 57.00 54.73 2wgq n GLN 80 Cb 0.89 -1.91 0.08 0.00 0.00 0.00 0.00 30.24 29.31 2wgq n GLN 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2wgq h SER 81 N 0.81 0.00 0.00 1.08 4.64 -1.63 -3.47 113.55 114.98 2wgq h SER 81 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2wgq h SER 81 Cb 2.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.52 2wgq h SER 81 CO 0.84 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 2wgq n GLY 82 N 1.15 0.06 0.19 -0.77 0.00 -1.26 -4.91 105.19 99.65 2wgq n GLY 82 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 -8.70 0.99 3.38 -1.90 -3.39 115.31 105.69 2wgq h LEU 83 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2wgq h LEU 83 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 2wgq h LEU 83 CO 0.00 0.27 0.49 -0.62 0.09 0.00 0.00 178.44 178.67 2wgq s ASP 84 N -6.27 6.51 0.00 -0.43 2.15 -1.26 -4.73 116.67 112.63 2wgq s ASP 84 Ca 0.03 0.16 0.23 0.00 0.43 0.00 0.00 52.55 53.40 2wgq s ASP 84 Cb 0.08 -2.43 0.42 0.00 -0.30 0.00 0.00 42.92 40.69 2wgq s ASP 84 CO 0.68 -0.93 1.39 0.00 -0.17 0.00 0.00 175.17 176.14 2wgq n GLN 85 N 6.87 2.39 -0.23 4.34 6.02 -1.26 -4.39 117.38 131.11 2wgq n GLN 85 Ca 0.05 -2.08 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 2wgq n GLN 85 Cb 0.48 -1.49 0.12 0.00 1.02 0.00 0.00 30.24 30.37 2wgq n GLN 85 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2wgq h THR 86 N 4.30 0.86 -3.43 5.09 2.02 -1.90 -3.39 112.91 116.46 2wgq h THR 86 Ca 0.00 -0.20 -0.65 0.00 0.77 0.00 0.00 66.41 66.33 2wgq h THR 86 Cb 0.94 0.23 -0.24 0.00 -1.74 0.00 0.00 68.15 67.34 2wgq h THR 86 CO 0.00 0.10 -0.68 -0.36 0.37 0.00 0.00 175.52 174.96 2wgq s PHE 87 N -6.07 3.01 0.22 3.16 0.08 -1.26 -0.12 117.98 117.00 2wgq s PHE 87 Ca -0.13 -0.58 0.09 0.00 0.12 0.00 0.00 56.93 56.44 2wgq s PHE 87 Cb 0.17 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 2wgq s PHE 87 CO 0.76 -0.32 -0.07 -0.65 -0.10 0.00 0.00 175.22 174.84 2wgq s GLN 88 N 1.11 2.12 0.27 0.44 -1.52 -0.55 -4.97 119.66 116.56 2wgq s GLN 88 Ca 0.02 -1.37 -0.29 0.00 -1.95 0.00 0.00 55.36 51.77 2wgq s GLN 88 Cb -0.14 -2.12 -0.09 0.00 -0.22 0.00 0.00 33.01 30.43 2wgq s GLN 88 CO 0.01 0.40 0.98 0.14 -0.25 0.00 0.00 175.29 176.57 2wgq s VAL 89 N -2.02 3.93 -0.69 1.09 -7.23 -1.26 -3.34 120.40 110.87 2wgq s VAL 89 Ca 0.28 1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 62.16 2wgq s VAL 89 Cb -0.07 -4.17 0.15 0.00 0.56 0.00 0.00 36.38 32.84 2wgq s VAL 89 CO 0.17 0.40 0.73 -0.70 -0.31 0.00 0.00 175.10 175.39 2wgq s GLU 90 N -1.41 3.27 0.12 4.82 2.12 -1.26 -4.81 118.70 121.54 2wgq s GLU 90 Ca 0.44 -1.81 -0.05 0.00 0.36 0.00 0.00 54.97 53.91 2wgq s GLU 90 Cb -0.26 -4.40 -0.12 0.00 0.26 0.00 0.00 34.13 29.60 2wgq s GLU 90 CO 0.33 -1.45 1.28 0.87 -0.54 0.00 0.00 175.26 175.75 2wgq h LYS 91 N 8.65 0.41 -4.55 4.30 1.57 -1.98 -3.39 116.57 121.58 2wgq h LYS 91 Ca -0.12 -0.46 -0.70 0.00 -1.87 0.00 0.00 60.65 57.50 2wgq h LYS 91 Cb 1.07 0.14 -0.32 0.00 0.08 0.00 0.00 32.23 33.20 2wgq h LYS 91 CO 0.98 1.13 -0.57 1.03 -0.57 0.00 0.00 179.45 181.46 2wgq s ARG 92 N -3.19 2.30 0.33 3.15 0.52 -1.26 -5.08 118.95 115.71 2wgq s ARG 92 Ca -0.06 -1.56 -0.29 0.00 -0.52 0.00 0.00 55.73 53.30 2wgq s ARG 92 Cb 0.08 -3.54 -0.11 0.00 0.52 0.00 0.00 34.95 31.91 2wgq s ARG 92 CO 0.87 -0.91 1.48 -1.25 0.02 0.00 0.00 175.30 175.51 2wgq s PRO 93 N 1.26 4.18 0.43 3.54 0.04 -1.26 -4.94 135.00 138.24 2wgq s PRO 93 Ca 0.03 2.47 -0.24 0.00 0.04 0.00 0.00 61.00 63.30 2wgq s PRO 93 Cb -0.22 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 2wgq s PRO 93 CO -0.01 -0.48 1.19 -1.58 0.04 0.00 0.00 177.00 176.15 2wgq s HIS 94 N -0.64 2.94 -0.37 0.56 2.46 -1.26 -4.95 115.29 114.03 2wgq s HIS 94 Ca 0.56 1.52 0.27 0.00 0.47 0.00 0.00 55.06 57.88 2wgq s HIS 94 Cb -0.45 -3.44 0.93 0.00 -0.13 0.00 0.00 32.58 29.50 2wgq s HIS 94 CO 0.54 -1.54 1.78 -1.00 -2.47 0.00 0.00 174.74 172.06 2wgq h PRO 95 N 2.39 0.00 -0.14 2.88 0.13 -1.94 -2.62 132.00 132.70 2wgq h PRO 95 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wgq h PRO 95 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2wgq h PRO 95 CO 0.61 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.66 2wgq n LEU 96 N -2.63 1.31 -4.62 1.56 4.77 -1.26 -4.74 117.00 111.39 2wgq n LEU 96 Ca 0.03 -0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 2wgq n LEU 96 Cb 0.35 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2wgq n LEU 96 CO 0.27 0.28 0.62 0.59 -1.33 0.00 0.00 177.39 177.82 2wgq n ASN 97 N 0.10 1.43 -4.78 -1.43 5.03 -0.99 -4.92 115.26 109.69 2wgq n ASN 97 Ca 0.15 1.06 -0.30 0.00 0.87 0.00 0.00 54.58 56.36 2wgq n ASN 97 Cb 0.27 -1.36 0.10 0.00 -1.02 0.00 0.00 39.78 37.76 2wgq n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wgq s ALA 98 N -1.24 2.14 0.14 5.41 0.00 -1.26 -4.90 121.76 122.06 2wgq s ALA 98 Ca 0.62 -0.07 -0.35 0.00 0.00 0.00 0.00 51.96 52.16 2wgq s ALA 98 Cb -0.57 -3.16 -0.15 0.00 0.00 0.00 0.00 23.12 19.25 2wgq s ALA 98 CO 0.57 -1.81 1.48 1.28 0.00 0.00 0.00 175.76 177.28 2wgq n LEU 99 N -3.51 2.59 -4.85 0.00 4.77 -1.26 -4.99 117.00 109.76 2wgq n LEU 99 Ca 0.07 1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 56.86 2wgq n LEU 99 Cb 0.55 -1.35 0.13 0.00 -2.33 0.00 0.00 43.42 40.42 2wgq n LEU 99 CO 0.56 -0.58 0.76 0.42 -1.33 0.00 0.00 177.39 177.23 2wgq s THR 100 N 0.66 1.98 0.22 -5.08 -4.23 -1.26 -4.78 115.64 103.15 2wgq s THR 100 Ca 0.79 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.22 2wgq s THR 100 Cb -0.77 -2.88 0.17 0.00 1.34 0.00 0.00 72.50 70.36 2wgq s THR 100 CO 0.42 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.34 2wgq h ALA 101 N -1.38 1.01 -0.13 3.99 0.00 -1.93 0.23 119.26 121.03 2wgq h ALA 101 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2wgq h ALA 101 Cb 1.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2wgq h ALA 101 CO 0.59 0.20 0.02 -0.44 0.00 0.00 0.00 179.25 179.62 2wgq h ASP 102 N 0.86 0.21 -1.00 0.00 5.19 -1.99 -0.52 116.42 119.18 2wgq h ASP 102 Ca 0.32 -0.27 0.08 0.00 -0.62 0.00 0.00 57.03 56.54 2wgq h ASP 102 Cb 0.11 -0.06 -0.07 0.00 0.18 0.00 0.00 39.33 39.49 2wgq h ASP 102 CO -0.15 0.43 0.64 -0.33 -3.12 0.00 0.00 179.24 176.71 2wgq h GLU 103 N -0.01 1.09 0.23 3.56 5.08 -1.85 0.42 114.58 123.11 2wgq h GLU 103 Ca 0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2wgq h GLU 103 Cb 0.31 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wgq h GLU 103 CO 0.00 0.72 -0.13 0.82 -1.00 0.00 0.00 179.01 179.42 2wgq h ILE 104 N 1.13 0.72 -0.40 3.13 2.04 -0.20 0.14 117.51 124.07 2wgq h ILE 104 Ca 0.44 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.28 2wgq h ILE 104 Cb 0.24 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2wgq h ILE 104 CO -0.19 0.00 0.14 0.11 0.00 0.00 0.00 178.15 178.21 2wgq h LYS 105 N -0.35 0.58 -0.08 2.37 1.57 -0.49 -1.91 116.57 118.26 2wgq h LYS 105 Ca -0.03 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2wgq h LYS 105 Cb 0.28 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2wgq h LYS 105 CO 0.03 0.50 0.00 0.37 -0.57 0.00 0.00 179.45 179.78 2wgq h GLN 106 N 0.57 0.14 -0.17 3.15 4.15 0.17 -2.40 115.11 120.71 2wgq h GLN 106 Ca 0.14 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2wgq h GLN 106 Cb 0.15 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2wgq h GLN 106 CO -0.01 0.39 -0.04 0.00 -1.93 0.00 0.00 178.83 177.24 2wgq h ALA 107 N 0.74 1.61 -0.18 3.38 0.00 -0.40 -0.59 119.26 123.82 2wgq h ALA 107 Ca 0.02 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 2wgq h ALA 107 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2wgq h ALA 107 CO 0.00 0.29 -0.52 0.28 0.00 0.00 0.00 179.25 179.30 2wgq h VAL 108 N 0.25 1.32 -0.39 0.00 2.07 -1.29 -2.76 116.25 115.45 2wgq h VAL 108 Ca 0.06 -1.76 -0.09 0.00 0.82 0.00 0.00 66.70 65.73 2wgq h VAL 108 Cb 0.24 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2wgq h VAL 108 CO 0.01 0.54 -0.09 -0.33 0.02 0.00 0.00 177.57 177.72 2wgq h GLU 109 N 0.40 0.76 -0.08 1.57 5.08 -0.64 -0.89 114.58 120.78 2wgq h GLU 109 Ca 0.01 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2wgq h GLU 109 Cb 1.04 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 2wgq h GLU 109 CO 0.10 0.90 -0.13 0.82 -1.00 0.00 0.00 179.01 179.69 2wgq h ILE 110 N 0.57 0.66 -0.35 3.13 2.04 -1.05 0.27 117.51 122.77 2wgq h ILE 110 Ca 0.10 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.89 2wgq h ILE 110 Cb 0.62 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2wgq h ILE 110 CO 0.04 0.00 -0.07 -0.37 0.00 0.00 0.00 178.15 177.75 2wgq h VAL 111 N -0.17 1.23 0.00 1.67 -1.51 -1.51 -2.15 116.25 113.80 2wgq h VAL 111 Ca 0.07 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 2wgq h VAL 111 Cb 0.28 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 2wgq h VAL 111 CO -0.19 0.33 0.00 0.11 -1.23 0.00 0.00 177.57 176.60 2wgq h LYS 112 N 0.55 0.00 0.00 5.19 1.57 -0.53 -2.90 116.57 120.45 2wgq h LYS 112 Ca 0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2wgq h LYS 112 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2wgq h LYS 112 CO 0.02 0.00 -0.10 0.00 -0.57 0.00 0.00 179.45 178.80 2wgq h ALA 113 N 2.15 0.94 -2.41 3.86 0.00 -0.27 -3.47 119.26 120.07 2wgq h ALA 113 Ca 0.00 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 54.35 2wgq h ALA 113 Cb 0.36 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.24 2wgq h ALA 113 CO 0.00 0.07 0.37 0.45 0.00 0.00 0.00 179.25 180.14 2wgq s SER 114 N -6.20 5.26 0.19 0.00 0.15 -1.09 -4.96 113.70 107.05 2wgq s SER 114 Ca 0.06 1.91 0.09 0.00 0.70 0.00 0.00 55.95 58.72 2wgq s SER 114 Cb 0.05 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 2wgq s SER 114 CO 0.68 -1.52 1.41 0.00 1.20 0.00 0.00 173.24 175.01 2wgq h ALA 115 N 0.00 0.58 0.00 5.45 0.00 -1.89 -3.07 119.26 120.33 2wgq h ALA 115 Ca -0.46 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 53.70 2wgq h ALA 115 Cb 1.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2wgq h ALA 115 CO 0.55 1.01 -0.03 -0.44 0.00 0.00 0.00 179.25 180.34 2wgq h ASP 116 N 0.00 0.00 -2.52 0.00 3.32 -1.92 -3.44 116.42 111.86 2wgq h ASP 116 Ca -0.01 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2wgq h ASP 116 Cb 1.51 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.05 2wgq h ASP 116 CO 0.11 0.03 1.20 0.12 -1.72 0.00 0.00 179.24 178.98 2wgq s PHE 117 N -4.21 1.74 0.07 4.55 2.19 -1.16 -4.99 117.98 116.16 2wgq s PHE 117 Ca -0.04 0.23 -0.17 0.00 0.33 0.00 0.00 56.93 57.28 2wgq s PHE 117 Cb 0.13 -4.02 -0.06 0.00 -1.31 0.00 0.00 43.02 37.76 2wgq s PHE 117 CO 0.51 -3.95 0.52 0.15 1.83 0.00 0.00 175.22 174.28 2wgq s LYS 118 N 4.73 4.09 0.28 10.12 -0.14 -1.26 -5.02 119.74 132.53 2wgq s LYS 118 Ca 0.80 0.61 -0.08 0.00 -1.36 0.00 0.00 55.97 55.94 2wgq s LYS 118 Cb -0.32 -3.18 0.46 0.00 -1.68 0.00 0.00 37.83 33.11 2wgq s LYS 118 CO 0.33 0.62 1.56 -1.35 -0.76 0.00 0.00 175.35 175.76 2wgq h PRO 119 N 4.40 0.00 -0.67 -1.68 0.11 -1.99 -2.90 132.00 129.27 2wgq h PRO 119 Ca -0.50 -0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.35 2wgq h PRO 119 Cb 1.21 -0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 2wgq h PRO 119 CO 0.63 0.00 0.26 0.09 -0.21 0.00 0.00 178.00 178.78 2wgq n ASN 120 N -5.61 3.91 -4.74 -2.05 5.03 -1.26 -4.99 115.26 105.55 2wgq n ASN 120 Ca 0.16 -3.43 -0.42 0.00 0.87 0.00 0.00 54.58 51.76 2wgq n ASN 120 Cb 0.50 -0.72 -0.02 0.00 -1.02 0.00 0.00 39.78 38.52 2wgq n ASN 120 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2wgq s THR 121 N -3.12 2.05 0.43 3.41 2.01 -1.10 -4.71 115.64 114.62 2wgq s THR 121 Ca 0.52 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.64 2wgq s THR 121 Cb 0.43 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 2wgq s THR 121 CO 0.09 0.01 0.42 -0.13 -0.69 0.00 0.00 174.62 174.32 2wgq s ARG 122 N 0.16 2.56 -0.36 4.92 0.52 0.12 -4.93 118.95 121.95 2wgq s ARG 122 Ca 0.68 -1.52 -0.00 0.00 -0.52 0.00 0.00 55.73 54.37 2wgq s ARG 122 Cb -0.49 -2.43 0.09 0.00 0.52 0.00 0.00 34.95 32.65 2wgq s ARG 122 CO 0.42 -0.24 0.10 -0.06 0.02 0.00 0.00 175.30 175.53 2wgq s PHE 123 N -2.47 3.57 0.24 -0.53 0.40 0.14 -0.04 117.98 119.28 2wgq s PHE 123 Ca 0.49 -2.50 -0.01 0.00 -0.60 0.00 0.00 56.93 54.31 2wgq s PHE 123 Cb -0.04 -2.84 0.27 0.00 0.51 0.00 0.00 43.02 40.92 2wgq s PHE 123 CO 0.29 -0.93 1.64 1.79 0.70 0.00 0.00 175.22 178.71 2wgq h THR 124 N 6.49 1.28 -2.25 0.64 1.35 -1.67 -3.39 112.91 115.36 2wgq h THR 124 Ca -0.12 -1.41 -0.07 0.00 -0.55 0.00 0.00 66.41 64.26 2wgq h THR 124 Cb 1.04 1.40 -0.22 0.00 -1.73 0.00 0.00 68.15 68.64 2wgq h THR 124 CO 0.59 0.45 0.01 -0.70 -0.25 0.00 0.00 175.52 175.63 2wgq s GLU 125 N -4.42 0.73 -0.26 4.72 2.12 -1.21 -4.96 118.70 115.42 2wgq s GLU 125 Ca -0.08 0.82 -0.01 0.00 0.36 0.00 0.00 54.97 56.06 2wgq s GLU 125 Cb 0.13 0.36 0.08 0.00 0.26 0.00 0.00 34.13 34.96 2wgq s GLU 125 CO 0.82 -0.10 0.06 0.42 -0.54 0.00 0.00 175.26 175.92 2wgq s ILE 126 N 0.25 0.84 0.12 -3.70 1.01 -1.26 -1.31 121.20 117.15 2wgq s ILE 126 Ca -0.01 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 59.53 2wgq s ILE 126 Cb -0.04 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2wgq s ILE 126 CO 0.01 -0.44 0.09 -0.94 0.00 0.00 0.00 174.94 173.66 2wgq s SER 127 N 1.67 0.28 0.21 3.58 1.04 -0.18 -4.72 113.70 115.58 2wgq s SER 127 Ca 0.04 -1.07 -0.32 0.00 0.48 0.00 0.00 55.95 55.08 2wgq s SER 127 Cb -0.17 0.30 -0.14 0.00 0.10 0.00 0.00 66.02 66.11 2wgq s SER 127 CO -0.17 -0.73 1.33 -0.11 0.98 0.00 0.00 173.24 174.54 2wgq n LEU 128 N -0.07 2.53 -4.50 2.42 7.94 -1.26 0.85 117.00 124.90 2wgq n LEU 128 Ca -0.08 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.53 2wgq n LEU 128 Cb 0.63 -1.35 -0.08 0.00 0.53 0.00 0.00 43.42 43.15 2wgq n LEU 128 CO 0.28 -0.77 0.16 -0.22 -1.11 0.00 0.00 177.39 175.74 2wgq s LEU 129 N 0.35 4.71 0.62 -1.96 2.96 -1.04 -4.57 118.68 119.75 2wgq s LEU 129 Ca 0.71 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.94 2wgq s LEU 129 Cb -0.73 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 2wgq s LEU 129 CO 0.50 -0.59 1.11 -2.16 -1.32 0.00 0.00 176.35 173.89 2wgq s PRO 130 N 2.28 3.00 1.10 0.98 0.04 -1.26 -4.40 135.00 136.74 2wgq s PRO 130 Ca 0.15 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 2wgq s PRO 130 Cb -0.16 -1.97 0.24 0.00 0.04 0.00 0.00 34.50 32.64 2wgq s PRO 130 CO 0.14 -1.10 1.08 -2.14 0.04 0.00 0.00 177.00 175.02 2wgq s PRO 131 N -3.88 -0.41 0.58 0.56 0.02 -1.26 -4.95 135.00 125.66 2wgq s PRO 131 Ca 0.68 0.40 -0.20 0.00 0.02 0.00 0.00 61.00 61.90 2wgq s PRO 131 Cb -0.21 -1.65 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 2wgq s PRO 131 CO 0.37 -3.27 1.28 0.16 -0.33 0.00 0.00 177.00 175.21 2wgq s ASP 132 N -3.38 5.13 0.38 2.53 -4.77 -1.26 -4.81 116.67 110.50 2wgq s ASP 132 Ca 0.67 2.57 0.11 0.00 -3.30 0.00 0.00 52.55 52.60 2wgq s ASP 132 Cb -0.18 -2.62 0.89 0.00 -1.09 0.00 0.00 42.92 39.93 2wgq s ASP 132 CO 0.59 -1.65 1.91 0.07 0.70 0.00 0.00 175.17 176.79 2wgq h LYS 133 N 1.08 0.58 -0.68 2.11 2.10 -1.99 -2.32 116.57 117.45 2wgq h LYS 133 Ca -0.51 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.05 2wgq h LYS 133 Cb 1.31 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 32.47 2wgq h LYS 133 CO 0.56 0.39 0.18 1.49 -2.00 0.00 0.00 179.45 180.07 2wgq h GLU 134 N 0.60 1.06 -0.34 0.07 4.81 -1.99 -0.08 114.58 118.71 2wgq h GLU 134 Ca 0.39 -0.23 -0.17 0.00 -0.13 0.00 0.00 59.36 59.22 2wgq h GLU 134 Cb 0.67 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2wgq h GLU 134 CO -0.15 0.92 -0.45 0.00 -0.73 0.00 0.00 179.01 178.60 2wgq h ALA 135 N 1.18 0.54 0.18 2.92 0.00 -1.84 -1.59 119.26 120.65 2wgq h ALA 135 Ca 0.22 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wgq h ALA 135 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wgq h ALA 135 CO -0.00 0.68 -0.16 0.28 0.00 0.00 0.00 179.25 180.05 2wgq h VAL 136 N 0.72 0.64 -0.91 0.00 2.07 -1.14 -0.74 116.25 116.89 2wgq h VAL 136 Ca 0.04 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.75 2wgq h VAL 136 Cb 1.05 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 2wgq h VAL 136 CO 0.11 0.00 0.59 -0.50 0.02 0.00 0.00 177.57 177.79 2wgq h TRP 137 N -0.36 0.67 -0.05 1.57 -0.00 -0.96 -0.53 115.95 116.29 2wgq h TRP 137 Ca -0.00 0.02 -0.16 0.00 -0.00 0.00 0.00 58.89 58.75 2wgq h TRP 137 Cb 0.34 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.28 2wgq h TRP 137 CO -0.13 0.19 -0.69 0.00 -0.00 0.00 0.00 178.44 177.81 2wgq h ALA 138 N 1.61 0.75 0.05 1.49 0.00 -0.66 -0.22 119.26 122.28 2wgq h ALA 138 Ca 0.48 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wgq h ALA 138 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2wgq h ALA 138 CO -0.21 0.79 -0.02 0.35 0.00 0.00 0.00 179.25 180.15 2wgq h PHE 139 N 0.15 -0.06 0.00 0.00 3.04 0.37 0.11 116.94 120.55 2wgq h PHE 139 Ca -0.02 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 2wgq h PHE 139 Cb 1.23 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 2wgq h PHE 139 CO 0.02 0.06 -0.34 0.00 -2.02 0.00 0.00 178.31 176.03 2wgq h ALA 140 N 0.77 1.00 0.00 2.41 0.00 -1.36 -0.95 119.26 121.13 2wgq h ALA 140 Ca -0.01 -0.31 -0.36 0.00 0.00 0.00 0.00 54.91 54.23 2wgq h ALA 140 Cb 0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2wgq h ALA 140 CO 0.01 0.43 -2.30 1.28 0.00 0.00 0.00 179.25 178.67 2wgq n LEU 141 N -3.50 0.22 0.00 0.00 4.77 -0.10 -4.65 117.00 113.74 2wgq n LEU 141 Ca -0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2wgq n LEU 141 Cb 0.50 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 2wgq n LEU 141 CO 0.36 0.50 0.32 -0.62 -1.33 0.00 0.00 177.39 176.62 2wgq n GLU 142 N -2.81 1.05 -1.93 3.23 1.02 0.33 -4.98 120.64 116.55 2wgq n GLU 142 Ca -0.31 -0.86 -0.18 0.00 -0.02 0.00 0.00 57.16 55.80 2wgq n GLU 142 Cb 1.14 -0.81 -0.04 0.00 -0.02 0.00 0.00 31.44 31.70 2wgq n GLU 142 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2wgq n ASN 143 N -0.21 -4.86 -4.61 1.62 3.02 -0.36 -4.92 115.26 104.94 2wgq n ASN 143 Ca 0.00 0.26 -0.43 0.00 -0.03 0.00 0.00 54.58 54.38 2wgq n ASN 143 Cb 0.26 -4.23 -0.02 0.00 -0.61 0.00 0.00 39.78 35.18 2wgq n ASN 143 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wgq s LYS 144 N -4.20 3.70 0.57 3.52 2.47 -0.80 -4.88 119.74 120.11 2wgq s LYS 144 Ca 0.00 0.99 -0.21 0.00 -1.56 0.00 0.00 55.97 55.19 2wgq s LYS 144 Cb 0.00 -3.97 -0.04 0.00 -1.46 0.00 0.00 37.83 32.36 2wgq s LYS 144 CO 0.00 -1.41 1.34 -1.25 0.16 0.00 0.00 175.35 174.20 2wgq s PRO 145 N 4.64 3.02 0.12 4.03 0.04 -1.26 -3.42 135.00 142.16 2wgq s PRO 145 Ca 0.58 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 63.52 2wgq s PRO 145 Cb -0.14 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 2wgq s PRO 145 CO 0.30 -1.27 1.02 0.08 0.04 0.00 0.00 177.00 177.17 2wgq s VAL 146 N -1.32 4.31 0.00 -0.36 1.01 -1.26 -4.96 120.40 117.81 2wgq s VAL 146 Ca 0.74 1.88 -0.24 0.00 0.00 0.00 0.00 61.98 64.36 2wgq s VAL 146 Cb -0.40 -4.20 -0.14 0.00 0.00 0.00 0.00 36.38 31.64 2wgq s VAL 146 CO 0.46 0.27 1.06 0.44 0.00 0.00 0.00 175.10 177.33 2wgq h ASP 147 N 5.66 -0.65 -0.76 3.32 5.19 -1.97 -3.47 116.42 123.73 2wgq h ASP 147 Ca -0.43 -0.02 -0.39 0.00 -0.62 0.00 0.00 57.03 55.56 2wgq h ASP 147 Cb 1.21 0.17 0.08 0.00 0.18 0.00 0.00 39.33 40.97 2wgq h ASP 147 CO 0.73 -0.26 -0.42 0.00 -3.12 0.00 0.00 179.24 176.17 2wgq n GLN 148 N -5.30 0.00 -2.09 3.56 3.00 -1.26 -5.02 117.38 110.26 2wgq n GLN 148 Ca -0.11 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.60 2wgq n GLN 148 Cb 0.33 -0.61 0.05 0.00 0.00 0.00 0.00 30.24 30.01 2wgq n GLN 148 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2wgq s PRO 149 N -0.61 2.76 -0.22 -1.09 0.04 -1.26 -5.00 135.00 129.62 2wgq s PRO 149 Ca 0.38 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.34 2wgq s PRO 149 Cb -0.50 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 2wgq s PRO 149 CO 0.36 -0.98 1.54 1.03 0.04 0.00 0.00 177.00 178.99 2wgq s ARG 150 N -5.24 3.87 0.36 4.56 1.81 -1.26 -4.94 118.95 118.11 2wgq s ARG 150 Ca 0.57 1.62 0.08 0.00 -1.72 0.00 0.00 55.73 56.28 2wgq s ARG 150 Cb -0.11 -3.99 -0.04 0.00 -0.45 0.00 0.00 34.95 30.37 2wgq s ARG 150 CO 0.49 -1.20 0.20 0.15 -0.68 0.00 0.00 175.30 174.26 2wgq s LYS 151 N 4.47 2.44 0.01 3.54 1.02 -1.26 -0.09 119.74 129.87 2wgq s LYS 151 Ca 0.68 -1.53 -0.03 0.00 0.02 0.00 0.00 55.97 55.11 2wgq s LYS 151 Cb -0.24 -2.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 2wgq s LYS 151 CO 0.27 0.05 0.04 0.00 -0.92 0.00 0.00 175.35 174.79 2wgq s ALA 152 N -2.43 -0.06 -0.13 5.17 0.00 -0.51 -2.49 121.76 121.31 2wgq s ALA 152 Ca 0.40 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 2wgq s ALA 152 Cb -0.02 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2wgq s ALA 152 CO 0.24 -0.16 0.48 -0.51 0.00 0.00 0.00 175.76 175.81 2wgq s ASP 153 N -1.25 6.66 -0.24 0.00 1.01 0.25 -1.98 116.67 121.11 2wgq s ASP 153 Ca -0.14 0.78 0.01 0.00 0.71 0.00 0.00 52.55 53.92 2wgq s ASP 153 Cb -0.08 -2.28 0.06 0.00 1.01 0.00 0.00 42.92 41.63 2wgq s ASP 153 CO -0.00 -0.03 -0.06 -0.69 0.21 0.00 0.00 175.17 174.60 2wgq s VAL 154 N 0.79 1.66 -0.19 -1.27 1.01 0.11 -1.01 120.40 121.50 2wgq s VAL 154 Ca 0.25 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 2wgq s VAL 154 Cb -0.15 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2wgq s VAL 154 CO 0.10 -0.09 0.01 -0.63 0.00 0.00 0.00 175.10 174.48 2wgq s ILE 155 N 1.33 4.12 0.15 2.22 -1.09 -0.42 -0.08 121.20 127.43 2wgq s ILE 155 Ca -0.06 -0.26 0.11 0.00 -2.23 0.00 0.00 60.65 58.20 2wgq s ILE 155 Cb -0.19 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 2wgq s ILE 155 CO -0.06 0.45 -0.24 -0.04 -1.23 0.00 0.00 174.94 173.81 2wgq s MET 156 N 0.74 1.39 -0.31 2.79 -1.94 0.98 -1.91 119.30 121.05 2wgq s MET 156 Ca 0.00 -1.39 0.03 0.00 -1.71 0.00 0.00 55.69 52.63 2wgq s MET 156 Cb -0.14 -1.76 0.09 0.00 2.01 0.00 0.00 34.83 35.03 2wgq s MET 156 CO 0.02 0.40 0.01 -1.17 -0.01 0.00 0.00 175.02 174.27 2wgq s LEU 157 N -2.30 4.22 -0.89 -0.03 2.96 0.95 -1.03 118.68 122.55 2wgq s LEU 157 Ca 0.15 -1.90 -0.17 0.00 -0.22 0.00 0.00 54.13 51.99 2wgq s LEU 157 Cb -0.09 -1.56 0.16 0.00 0.50 0.00 0.00 46.19 45.20 2wgq s LEU 157 CO 0.07 -0.33 1.00 -0.62 -1.32 0.00 0.00 176.35 175.16 2wgq s ASP 158 N 1.01 6.66 0.03 3.68 2.15 0.12 0.16 116.67 130.48 2wgq s ASP 158 Ca 0.05 -2.22 0.00 0.00 0.43 0.00 0.00 52.55 50.81 2wgq s ASP 158 Cb -0.19 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2wgq s ASP 158 CO -0.08 -0.91 0.00 0.61 -0.17 0.00 0.00 175.17 174.62 2wgq n GLY 159 N 5.01 0.74 0.05 2.66 0.00 -1.26 -1.25 105.19 111.13 2wgq n GLY 159 Ca 0.20 0.51 0.01 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.28 -3.40 1.61 2.85 -1.26 -5.01 118.16 112.67 2wgq n LYS 160 Ca 0.00 -0.53 -0.39 0.00 -1.05 0.00 0.00 58.31 56.34 2wgq n LYS 160 Cb 0.00 -0.99 -0.08 0.00 -0.65 0.00 0.00 35.03 33.31 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 -0.18 3.30 0.18 5.58 3.76 -0.38 -4.47 115.29 123.08 2wgq s HIS 161 Ca 0.01 0.48 -0.26 0.00 -0.15 0.00 0.00 55.06 55.14 2wgq s HIS 161 Cb 0.01 -2.54 -0.08 0.00 1.11 0.00 0.00 32.58 31.08 2wgq s HIS 161 CO 0.02 -0.13 0.80 0.42 -0.85 0.00 0.00 174.74 175.00 2wgq s ILE 162 N 1.74 4.32 -0.02 0.60 -1.09 -1.26 -0.70 121.20 124.79 2wgq s ILE 162 Ca 0.16 1.77 -0.01 0.00 -2.23 0.00 0.00 60.65 60.34 2wgq s ILE 162 Cb -0.15 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.58 2wgq s ILE 162 CO 0.09 0.52 0.04 -0.63 -1.23 0.00 0.00 174.94 173.73 2wgq s ILE 163 N -1.14 -0.04 -0.22 2.92 1.01 -0.20 -0.64 121.20 122.89 2wgq s ILE 163 Ca 0.37 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 61.11 2wgq s ILE 163 Cb -0.24 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.13 2wgq s ILE 163 CO 0.27 0.05 -0.02 -1.61 0.00 0.00 0.00 174.94 173.64 2wgq s GLU 164 N 0.70 3.47 0.19 2.79 2.02 0.12 -0.01 118.70 127.98 2wgq s GLU 164 Ca -0.06 -0.58 0.11 0.00 0.02 0.00 0.00 54.97 54.46 2wgq s GLU 164 Cb -0.08 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 2wgq s GLU 164 CO -0.02 -0.13 -0.24 0.00 0.02 0.00 0.00 175.26 174.89 2wgq s ALA 165 N 1.34 2.53 -0.03 5.21 0.00 0.89 -0.27 121.76 131.43 2wgq s ALA 165 Ca 0.04 -1.64 0.06 0.00 0.00 0.00 0.00 51.96 50.42 2wgq s ALA 165 Cb -0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2wgq s ALA 165 CO -0.01 0.42 -0.22 0.08 0.00 0.00 0.00 175.76 176.04 2wgq s VAL 166 N -1.70 1.77 0.07 0.00 1.01 -0.77 0.05 120.40 120.83 2wgq s VAL 166 Ca 0.21 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2wgq s VAL 166 Cb -0.08 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2wgq s VAL 166 CO 0.10 0.50 -0.13 0.68 0.00 0.00 0.00 175.10 176.25 2wgq s VAL 167 N -0.34 1.01 -0.39 2.92 -7.23 -0.84 0.02 120.40 115.55 2wgq s VAL 167 Ca 0.04 -1.26 -0.12 0.00 -1.81 0.00 0.00 61.98 58.83 2wgq s VAL 167 Cb -0.10 -0.99 0.03 0.00 0.56 0.00 0.00 36.38 35.88 2wgq s VAL 167 CO 0.01 -0.24 0.25 -0.62 -0.31 0.00 0.00 175.10 174.18 2wgq s ASP 168 N -1.69 5.86 0.07 4.85 -1.08 0.16 -1.42 116.67 123.41 2wgq s ASP 168 Ca -0.03 -1.04 -0.15 0.00 -0.52 0.00 0.00 52.55 50.81 2wgq s ASP 168 Cb -0.10 -2.07 -0.19 0.00 -1.46 0.00 0.00 42.92 39.10 2wgq s ASP 168 CO 0.02 -0.43 1.23 -0.07 0.52 0.00 0.00 175.17 176.44 2wgq h LEU 169 N 8.51 0.84 -1.04 -1.34 3.38 -0.78 0.21 115.31 125.09 2wgq h LEU 169 Ca -0.26 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2wgq h LEU 169 Cb 1.11 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2wgq h LEU 169 CO 0.71 1.39 0.59 -0.61 0.09 0.00 0.00 178.44 180.61 2wgq h GLN 170 N 0.36 1.24 -0.42 1.13 4.15 -1.90 -3.05 115.11 116.61 2wgq h GLN 170 Ca -0.08 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2wgq h GLN 170 Cb 1.44 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2wgq h GLN 170 CO 0.16 0.84 0.00 0.09 -1.93 0.00 0.00 178.83 177.99 2wgq n ASN 171 N -4.38 3.47 -4.28 -0.69 3.02 -1.20 -4.97 115.26 106.23 2wgq n ASN 171 Ca 0.11 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.31 2wgq n ASN 171 Cb 0.04 -0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 38.89 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 1.44 -2.73 -4.60 6.41 5.15 0.01 -4.96 115.26 115.97 2wgq n ASN 172 Ca 0.19 -1.07 -0.29 0.00 -0.60 0.00 0.00 54.58 52.81 2wgq n ASN 172 Cb 0.59 -2.50 -0.09 0.00 -0.53 0.00 0.00 39.78 37.24 2wgq n ASN 172 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wgq s LYS 173 N -6.99 2.22 -0.00 1.20 1.02 -0.87 -4.98 119.74 111.34 2wgq s LYS 173 Ca 0.70 -1.03 -0.20 0.00 0.02 0.00 0.00 55.97 55.46 2wgq s LYS 173 Cb -0.39 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 2wgq s LYS 173 CO 0.95 0.50 0.59 -1.17 -0.92 0.00 0.00 175.35 175.30 2wgq s LEU 174 N -2.37 4.42 -0.18 3.17 2.96 -1.26 0.35 118.68 125.78 2wgq s LEU 174 Ca 0.23 1.16 -0.01 0.00 -0.22 0.00 0.00 54.13 55.29 2wgq s LEU 174 Cb -0.11 -2.91 -0.11 0.00 0.50 0.00 0.00 46.19 43.57 2wgq s LEU 174 CO 0.15 0.11 -0.17 0.18 -1.32 0.00 0.00 176.35 175.31 2wgq n LEU 175 N 2.67 2.64 -3.88 -0.68 4.77 0.10 -4.90 117.00 117.71 2wgq n LEU 175 Ca -0.07 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.77 2wgq n LEU 175 Cb 0.51 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 2wgq n LEU 175 CO 0.43 0.71 -0.18 -0.44 -1.33 0.00 0.00 177.39 176.58 2wgq s SER 176 N -5.88 0.06 -0.34 -1.43 0.01 -0.93 -4.91 113.70 100.27 2wgq s SER 176 Ca -0.24 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 2wgq s SER 176 Cb 0.07 0.21 0.13 0.00 0.21 0.00 0.00 66.02 66.63 2wgq s SER 176 CO 0.38 -0.40 0.19 0.86 0.41 0.00 0.00 173.24 174.69 2wgq s TRP 177 N -1.63 0.78 -0.35 2.43 -0.11 -1.26 -1.85 118.94 116.95 2wgq s TRP 177 Ca -0.13 -1.54 -0.01 0.00 1.22 0.00 0.00 56.10 55.63 2wgq s TRP 177 Cb -0.07 -1.02 0.08 0.00 -1.50 0.00 0.00 33.47 30.97 2wgq s TRP 177 CO 0.00 -0.83 0.09 -1.14 -4.62 0.00 0.00 176.95 170.46 2wgq s GLN 178 N 1.23 2.09 0.23 5.86 -0.44 0.63 -4.95 119.66 124.32 2wgq s GLN 178 Ca 0.16 -1.60 -0.31 0.00 -2.50 0.00 0.00 55.36 51.11 2wgq s GLN 178 Cb -0.22 -3.35 -0.11 0.00 -1.64 0.00 0.00 33.01 27.70 2wgq s GLN 178 CO -0.07 -0.86 1.58 -2.14 0.50 0.00 0.00 175.29 174.29 2wgq s PRO 179 N 1.15 4.18 -0.53 1.67 0.02 -1.26 0.12 135.00 140.35 2wgq s PRO 179 Ca 0.03 2.45 -0.16 0.00 0.02 0.00 0.00 61.00 63.34 2wgq s PRO 179 Cb -0.21 -3.09 0.10 0.00 0.02 0.00 0.00 34.50 31.32 2wgq s PRO 179 CO -0.04 -0.60 0.51 0.42 -0.33 0.00 0.00 177.00 176.96 2wgq s ILE 180 N 0.59 5.14 0.19 2.83 -1.09 0.18 -4.90 121.20 124.15 2wgq s ILE 180 Ca 0.67 -1.23 -0.33 0.00 -2.23 0.00 0.00 60.65 57.53 2wgq s ILE 180 Cb -0.46 -4.30 -0.14 0.00 -1.58 0.00 0.00 42.46 35.99 2wgq s ILE 180 CO 0.38 -0.82 1.53 1.17 -1.23 0.00 0.00 174.94 175.98 2wgq n LYS 181 N 5.45 2.16 0.00 2.79 4.81 -1.26 -2.89 118.16 129.22 2wgq n LYS 181 Ca -0.12 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 2wgq n LYS 181 Cb 0.42 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 32.95 2wgq n LYS 181 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wgq n ASP 182 N 3.00 0.00 -4.71 3.14 8.00 -1.26 -4.97 116.55 119.75 2wgq n ASP 182 Ca 0.15 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.22 2wgq n ASP 182 Cb 0.30 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 2wgq n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wgq n ALA 183 N 0.40 2.43 -2.61 2.24 0.00 -1.14 -5.03 120.51 116.81 2wgq n ALA 183 Ca 0.00 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.50 2wgq n ALA 183 Cb 0.00 -2.47 -0.06 0.00 0.00 0.00 0.00 19.45 16.92 2wgq n ALA 183 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2wgq s HIS 184 N 0.99 3.61 0.42 0.00 3.76 -1.26 -4.34 115.29 118.47 2wgq s HIS 184 Ca 0.75 0.78 -0.18 0.00 -0.15 0.00 0.00 55.06 56.26 2wgq s HIS 184 Cb -0.55 -2.14 -0.10 0.00 1.11 0.00 0.00 32.58 30.90 2wgq s HIS 184 CO 0.35 0.56 0.89 0.20 -0.85 0.00 0.00 174.74 175.90 2wgq s GLY 185 N -1.62 2.28 0.97 -2.22 0.00 -1.26 -4.59 107.32 100.89 2wgq s GLY 185 Ca 0.30 0.23 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 2wgq s GLY 185 CO 0.16 0.48 0.98 1.15 0.00 0.00 0.00 173.10 175.88 2wgq n MET 186 N -0.80 -0.78 -2.26 2.90 0.00 -1.26 -4.91 117.12 110.00 2wgq n MET 186 Ca 0.06 -0.17 -0.42 0.00 0.00 0.00 0.00 57.70 57.16 2wgq n MET 186 Cb 0.54 -2.24 -0.03 0.00 0.00 0.00 0.00 33.22 31.49 2wgq n MET 186 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2wgq s VAL 187 N -2.55 3.82 0.25 3.17 1.01 -0.57 -5.03 120.40 120.49 2wgq s VAL 187 Ca 0.65 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.87 2wgq s VAL 187 Cb -0.23 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2wgq s VAL 187 CO 0.61 -0.01 0.31 -0.76 0.00 0.00 0.00 175.10 175.25 2wgq s LEU 188 N 2.45 4.13 0.27 3.92 1.43 -1.26 -4.67 118.68 124.95 2wgq s LEU 188 Ca 0.62 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.67 2wgq s LEU 188 Cb -0.30 -2.68 0.59 0.00 0.03 0.00 0.00 46.19 43.83 2wgq s LEU 188 CO 0.25 -0.07 1.71 0.25 0.23 0.00 0.00 176.35 178.72 2wgq h LEU 189 N 1.27 0.26 -0.75 1.79 7.12 -1.95 -0.15 115.31 122.89 2wgq h LEU 189 Ca -0.51 0.14 -0.11 0.00 0.13 0.00 0.00 57.88 57.53 2wgq h LEU 189 Cb 1.23 0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 41.48 2wgq h LEU 189 CO 0.61 0.03 -0.54 -2.24 -0.13 0.00 0.00 178.44 176.16 2wgq h ASP 190 N 0.40 0.00 -0.64 1.25 2.03 -2.00 -1.27 116.42 116.18 2wgq h ASP 190 Ca 0.49 0.00 0.19 0.00 -0.73 0.00 0.00 57.03 56.97 2wgq h ASP 190 Cb 0.85 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.33 2wgq h ASP 190 CO -0.49 0.54 0.47 0.44 -1.03 0.00 0.00 179.24 179.18 2wgq h ASP 191 N 0.00 0.00 -0.22 4.15 3.32 -1.41 0.25 116.42 122.51 2wgq h ASP 191 Ca -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2wgq h ASP 191 Cb 1.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 2wgq h ASP 191 CO 0.07 0.00 -0.17 -0.26 -1.72 0.00 0.00 179.24 177.16 2wgq h PHE 192 N 0.00 0.72 0.06 4.55 -1.00 -1.27 -2.51 116.94 117.49 2wgq h PHE 192 Ca 0.30 -0.14 -0.00 0.00 2.81 0.00 0.00 57.97 60.94 2wgq h PHE 192 Cb 1.25 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.63 2wgq h PHE 192 CO 0.00 0.78 -0.03 0.00 -1.61 0.00 0.00 178.31 177.45 2wgq h ALA 193 N 1.23 -0.08 -0.68 2.45 0.00 -0.68 -2.98 119.26 118.51 2wgq h ALA 193 Ca 0.09 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.77 2wgq h ALA 193 Cb 0.62 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 2wgq h ALA 193 CO 0.04 -0.18 -0.51 0.77 0.00 0.00 0.00 179.25 179.37 2wgq h SER 194 N -0.81 -1.80 -0.89 0.00 0.02 -0.98 -0.16 113.55 108.92 2wgq h SER 194 Ca -0.01 0.26 0.22 0.00 -0.84 0.00 0.00 61.79 61.43 2wgq h SER 194 Cb 0.63 0.78 -0.13 0.00 0.14 0.00 0.00 62.40 63.82 2wgq h SER 194 CO 0.01 -0.26 0.38 0.58 -1.14 0.00 0.00 176.83 176.40 2wgq h VAL 195 N -0.13 0.45 -0.33 2.27 2.07 -1.51 0.36 116.25 119.42 2wgq h VAL 195 Ca 0.11 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 2wgq h VAL 195 Cb 0.42 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2wgq h VAL 195 CO -0.71 0.07 -0.25 -0.61 0.02 0.00 0.00 177.57 176.08 2wgq h GLN 196 N 0.37 0.75 -0.19 1.57 5.75 -0.91 -1.72 115.11 120.73 2wgq h GLN 196 Ca 0.56 -0.37 -0.06 0.00 -0.15 0.00 0.00 58.65 58.63 2wgq h GLN 196 Cb 1.08 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.63 2wgq h GLN 196 CO -0.55 0.99 -0.11 -0.91 -2.65 0.00 0.00 178.83 175.61 2wgq h ASN 197 N 0.53 0.43 -0.76 -0.69 -0.26 0.18 0.12 115.58 115.12 2wgq h ASN 197 Ca 0.06 -0.43 0.04 0.00 -0.56 0.00 0.00 56.30 55.41 2wgq h ASN 197 Cb 0.82 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 37.91 2wgq h ASN 197 CO 0.07 0.76 0.47 0.40 -1.06 0.00 0.00 177.43 178.07 2wgq h ILE 198 N 0.10 1.09 -0.27 2.81 2.04 -0.39 0.38 117.51 123.26 2wgq h ILE 198 Ca 0.04 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2wgq h ILE 198 Cb 0.61 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2wgq h ILE 198 CO 0.03 0.17 0.04 0.40 0.00 0.00 0.00 178.15 178.79 2wgq h ILE 199 N 0.91 1.23 -0.96 -0.67 5.03 -1.22 -2.89 117.51 118.96 2wgq h ILE 199 Ca 0.31 -0.81 0.13 0.00 -0.12 0.00 0.00 64.86 64.37 2wgq h ILE 199 Cb 0.05 1.23 -0.08 0.00 -3.03 0.00 0.00 36.82 34.99 2wgq h ILE 199 CO -0.12 0.26 0.61 0.78 -0.68 0.00 0.00 178.15 178.99 2wgq h ASN 200 N 0.27 0.82 -0.36 1.72 -0.26 0.76 -2.35 115.58 116.18 2wgq h ASN 200 Ca 0.08 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2wgq h ASN 200 Cb 0.35 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 2wgq h ASN 200 CO 0.01 0.43 0.00 0.59 -1.06 0.00 0.00 177.43 177.39 2wgq n ASN 201 N -4.60 3.67 -4.37 5.81 3.02 0.12 -4.82 115.26 114.09 2wgq n ASN 201 Ca 0.18 -2.49 -0.43 0.00 -0.03 0.00 0.00 54.58 51.82 2wgq n ASN 201 Cb 0.40 -0.57 -0.09 0.00 -0.61 0.00 0.00 39.78 38.91 2wgq n ASN 201 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2wgq s SER 202 N -0.54 6.00 0.10 6.41 0.15 -0.88 -4.94 113.70 119.99 2wgq s SER 202 Ca 0.33 -1.26 -0.24 0.00 0.70 0.00 0.00 55.95 55.47 2wgq s SER 202 Cb 0.24 -2.12 -0.08 0.00 -1.71 0.00 0.00 66.02 62.35 2wgq s SER 202 CO 0.11 -0.57 1.40 1.05 1.20 0.00 0.00 173.24 176.44 2wgq h GLU 203 N 8.63 -0.22 -0.88 5.44 9.09 -1.88 0.11 114.58 134.87 2wgq h GLU 203 Ca -0.27 0.02 0.16 0.00 0.05 0.00 0.00 59.36 59.31 2wgq h GLU 203 Cb 1.11 0.05 -0.10 0.00 -1.65 0.00 0.00 28.75 28.16 2wgq h GLU 203 CO 0.81 -0.15 0.47 0.93 0.05 0.00 0.00 179.01 181.12 2wgq h GLU 204 N -0.23 0.62 -0.02 1.06 4.39 -1.97 -1.68 114.58 116.75 2wgq h GLU 204 Ca 0.07 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 2wgq h GLU 204 Cb 0.41 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2wgq h GLU 204 CO -0.50 0.41 -0.45 0.35 -1.16 0.00 0.00 179.01 177.67 2wgq h PHE 205 N 0.64 0.48 -0.98 4.33 3.57 -1.87 -2.42 116.94 120.70 2wgq h PHE 205 Ca 0.49 -0.25 0.13 0.00 3.53 0.00 0.00 57.97 61.86 2wgq h PHE 205 Cb 0.71 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.31 2wgq h PHE 205 CO -0.08 1.05 0.60 0.00 -2.23 0.00 0.00 178.31 177.65 2wgq h ALA 206 N 0.33 1.48 0.53 2.41 0.00 -0.45 -0.85 119.26 122.70 2wgq h ALA 206 Ca -0.05 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wgq h ALA 206 Cb 1.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2wgq h ALA 206 CO 0.09 0.17 -0.48 0.00 0.00 0.00 0.00 179.25 179.03 2wgq h ALA 207 N 1.54 -1.09 -0.93 0.00 0.00 -1.26 -1.34 119.26 116.18 2wgq h ALA 207 Ca 0.49 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.37 2wgq h ALA 207 Cb 0.52 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 2wgq h ALA 207 CO -0.28 -1.15 0.59 0.00 0.00 0.00 0.00 179.25 178.41 2wgq h ALA 208 N -0.80 1.81 -0.23 0.00 0.00 -1.00 -1.54 119.26 117.49 2wgq h ALA 208 Ca -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2wgq h ALA 208 Cb 0.86 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2wgq h ALA 208 CO -0.03 -0.09 0.03 0.28 0.00 0.00 0.00 179.25 179.44 2wgq h VAL 209 N 0.71 1.23 -0.96 0.00 2.07 -0.80 -3.07 116.25 115.42 2wgq h VAL 209 Ca 0.48 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 67.27 2wgq h VAL 209 Cb 0.79 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 2wgq h VAL 209 CO -0.24 0.25 0.62 0.50 0.02 0.00 0.00 177.57 178.71 2wgq h LYS 210 N 0.19 1.10 -0.94 1.57 1.63 -0.23 -0.58 116.57 119.30 2wgq h LYS 210 Ca 0.07 -0.07 0.16 0.00 -0.85 0.00 0.00 60.65 59.96 2wgq h LYS 210 Cb 0.34 -0.25 -0.08 0.00 -0.60 0.00 0.00 32.23 31.64 2wgq h LYS 210 CO 0.01 0.73 0.60 0.87 -3.45 0.00 0.00 179.45 178.20 2wgq h LYS 211 N 1.13 0.72 -0.73 1.90 1.57 -1.38 -1.43 116.57 118.35 2wgq h LYS 211 Ca 0.41 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2wgq h LYS 211 Cb 0.15 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2wgq h LYS 211 CO -0.17 0.48 0.00 0.54 -0.57 0.00 0.00 179.45 179.73 2wgq n ARG 212 N -4.61 1.78 -1.07 3.15 1.74 -0.24 -4.83 116.66 112.58 2wgq n ARG 212 Ca 0.19 -0.70 -0.03 0.00 -0.77 0.00 0.00 57.85 56.55 2wgq n ARG 212 Cb 0.49 -1.55 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.29 0.58 3.74 -0.13 0.00 -0.54 -4.54 105.19 104.59 2wgq n GLY 213 Ca 0.06 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 2wgq n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wgq s ILE 214 N -2.09 5.11 0.00 -0.61 1.09 -1.17 -5.01 121.20 118.51 2wgq s ILE 214 Ca 0.00 1.03 0.00 0.00 -1.10 0.00 0.00 60.65 60.58 2wgq s ILE 214 Cb 0.00 -3.84 0.00 0.00 -1.06 0.00 0.00 42.46 37.56 2wgq s ILE 214 CO 0.00 0.37 0.00 0.41 -0.10 0.00 0.00 174.94 175.62 2wgq n THR 215 N 3.30 0.00 -3.26 2.92 -1.04 -1.26 -4.21 114.28 110.73 2wgq n THR 215 Ca -0.07 0.48 -0.43 0.00 -2.04 0.00 0.00 64.05 61.98 2wgq n THR 215 Cb 0.52 -1.44 -0.08 0.00 -1.82 0.00 0.00 70.33 67.51 2wgq n THR 215 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2wgq s ASP 216 N -2.96 6.21 0.00 8.00 2.15 -1.26 -4.94 116.67 123.87 2wgq s ASP 216 Ca 0.00 -0.82 0.09 0.00 0.43 0.00 0.00 52.55 52.25 2wgq s ASP 216 Cb 0.00 -2.25 0.49 0.00 -0.30 0.00 0.00 42.92 40.86 2wgq s ASP 216 CO 0.00 -0.71 1.04 0.00 -0.17 0.00 0.00 175.17 175.33 2wgq n ALA 217 N 5.79 1.73 0.35 3.66 0.00 -1.26 -1.77 120.51 129.02 2wgq n ALA 217 Ca -0.07 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2wgq n ALA 217 Cb 0.46 -1.14 0.14 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.03 0.00 1.79 -1.99 -3.15 116.57 113.19 2wgq h LYS 218 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2wgq h LYS 218 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2wgq h LYS 218 CO 0.00 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.00 2wgq n LYS 219 N -2.51 1.25 -2.88 3.15 5.02 -0.73 -4.82 118.16 116.65 2wgq n LYS 219 Ca 0.03 -0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 55.52 2wgq n LYS 219 Cb 0.49 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 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 -1.96 4.65 -0.21 -0.18 1.01 -1.19 0.85 120.40 123.36 2wgq s VAL 220 Ca 0.37 1.00 -0.15 0.00 0.00 0.00 0.00 61.98 63.20 2wgq s VAL 220 Cb 0.18 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2wgq s VAL 220 CO 0.30 -0.51 0.38 -0.63 0.00 0.00 0.00 175.10 174.63 2wgq s ILE 221 N 3.31 5.21 0.31 2.22 -1.09 0.13 -4.94 121.20 126.35 2wgq s ILE 221 Ca 0.35 0.65 -0.11 0.00 -2.23 0.00 0.00 60.65 59.30 2wgq s ILE 221 Cb -0.12 -3.71 -0.07 0.00 -1.58 0.00 0.00 42.46 36.98 2wgq s ILE 221 CO 0.18 0.25 0.67 0.42 -1.23 0.00 0.00 174.94 175.23 2wgq s THR 222 N 1.40 4.83 -0.05 2.92 -4.23 -1.26 -0.89 115.64 118.36 2wgq s THR 222 Ca 0.18 0.60 0.03 0.00 -1.18 0.00 0.00 61.69 61.31 2wgq s THR 222 Cb -0.15 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.04 2wgq s THR 222 CO 0.08 -0.26 -0.12 0.28 -0.54 0.00 0.00 174.62 174.06 2wgq s THR 223 N -2.06 1.07 0.11 3.99 -1.32 0.17 -4.95 115.64 112.66 2wgq s THR 223 Ca 0.50 -0.47 -0.21 0.00 -1.21 0.00 0.00 61.69 60.30 2wgq s THR 223 Cb -0.11 -0.97 -0.07 0.00 -1.51 0.00 0.00 72.50 69.84 2wgq s THR 223 CO 0.24 0.33 0.64 -2.16 -2.21 0.00 0.00 174.62 171.46 2wgq s PRO 224 N 0.46 4.30 -0.01 7.08 0.04 -1.26 -2.68 135.00 142.93 2wgq s PRO 224 Ca -0.10 0.86 0.02 0.00 0.04 0.00 0.00 61.00 61.82 2wgq s PRO 224 Cb -0.13 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.19 2wgq s PRO 224 CO 0.03 0.60 -0.07 -0.51 0.04 0.00 0.00 177.00 177.09 2wgq s LEU 225 N -1.21 1.96 0.63 -3.56 1.02 -0.63 -5.00 118.68 111.89 2wgq s LEU 225 Ca 0.32 -0.13 -0.17 0.00 0.02 0.00 0.00 54.13 54.17 2wgq s LEU 225 Cb -0.20 -0.37 -0.02 0.00 0.02 0.00 0.00 46.19 45.62 2wgq s LEU 225 CO 0.21 0.08 1.17 -0.89 0.02 0.00 0.00 176.35 176.94 2wgq s THR 226 N -0.08 2.78 -1.39 5.49 2.01 -1.26 -1.28 115.64 121.90 2wgq s THR 226 Ca 0.02 0.44 0.21 0.00 0.31 0.00 0.00 61.69 62.66 2wgq s THR 226 Cb -0.04 -3.07 -0.14 0.00 0.01 0.00 0.00 72.50 69.26 2wgq s THR 226 CO -0.00 -0.16 0.96 1.33 -0.69 0.00 0.00 174.62 176.07 2wgq n VAL 227 N -1.97 0.00 -4.68 3.82 0.24 -1.26 -4.74 118.33 109.74 2wgq n VAL 227 Ca 0.13 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2wgq n VAL 227 Cb 0.50 1.10 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 1.46 0.56 3.26 7.63 0.00 -1.26 -4.87 105.19 111.98 2wgq n GLY 228 Ca 0.06 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.50 -0.19 1.61 5.04 -1.26 -4.30 117.35 117.75 2wgq s TYR 229 Ca 0.00 1.14 0.20 0.00 -2.44 0.00 0.00 57.07 55.97 2wgq s TYR 229 Cb 0.00 0.19 0.43 0.00 0.35 0.00 0.00 41.96 42.94 2wgq s TYR 229 CO 0.00 -0.27 1.19 1.19 -1.34 0.00 0.00 175.55 176.32 2wgq n PHE 230 N 3.58 0.31 -4.22 4.97 3.72 -1.26 -4.67 117.46 119.89 2wgq n PHE 230 Ca -0.18 -1.54 -0.37 0.00 -0.05 0.00 0.00 57.45 55.31 2wgq n PHE 230 Cb 0.56 0.14 -0.04 0.00 -0.94 0.00 0.00 39.48 39.20 2wgq n PHE 230 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2wgq n ASP 231 N -0.44 -2.81 0.00 4.37 4.64 -1.26 -1.05 116.55 120.00 2wgq n ASP 231 Ca -0.00 -0.99 0.00 0.00 -1.38 0.00 0.00 54.79 52.41 2wgq n ASP 231 Cb 0.89 -2.34 0.00 0.00 -1.04 0.00 0.00 41.12 38.63 2wgq n ASP 231 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2wgq n GLY 232 N -1.23 3.23 0.00 0.27 0.00 -1.26 -4.92 105.19 101.27 2wgq n GLY 232 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 2wgq n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wgq n LYS 233 N -1.25 0.18 0.00 1.61 5.02 -0.22 -0.20 118.16 123.31 2wgq n LYS 233 Ca 0.00 0.16 0.09 0.00 -2.02 0.00 0.00 58.31 56.54 2wgq n LYS 233 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.51 2wgq n LYS 233 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2wgq n ASP 234 N -1.25 1.78 0.00 4.39 5.75 -1.26 -4.98 116.55 120.98 2wgq n ASP 234 Ca 0.06 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 2wgq n ASP 234 Cb 0.08 0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 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 1.23 0.60 3.63 6.12 0.00 0.72 -5.04 105.19 112.44 2wgq n GLY 235 Ca 0.08 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 3.65 0.29 0.99 1.43 -1.26 -5.06 118.68 118.73 2wgq s LEU 236 Ca 0.00 0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 2wgq s LEU 236 Cb 0.00 -1.89 -0.10 0.00 0.03 0.00 0.00 46.19 44.23 2wgq s LEU 236 CO 0.00 0.24 1.38 -0.75 0.23 0.00 0.00 176.35 177.44 2wgq s LYS 237 N -0.02 4.30 0.43 1.70 2.20 -1.26 -4.68 119.74 122.40 2wgq s LYS 237 Ca 0.04 2.27 0.18 0.00 -0.36 0.00 0.00 55.97 58.11 2wgq s LYS 237 Cb -0.13 -3.08 0.97 0.00 -1.51 0.00 0.00 37.83 34.08 2wgq s LYS 237 CO 0.02 -0.31 1.91 0.37 -0.36 0.00 0.00 175.35 176.97 2wgq h GLN 238 N 4.12 0.00 0.00 4.03 5.75 -2.00 -3.32 115.11 123.69 2wgq h GLN 238 Ca -0.48 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 57.73 2wgq h GLN 238 Cb 1.22 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.72 2wgq h GLN 238 CO 0.71 0.27 -1.74 -0.25 -2.65 0.00 0.00 178.83 175.17 2wgq n ASP 239 N -3.89 0.82 -4.77 -0.69 10.43 -1.26 -4.92 116.55 112.28 2wgq n ASP 239 Ca -0.02 0.39 -0.40 0.00 2.57 0.00 0.00 54.79 57.34 2wgq n ASP 239 Cb 0.35 -0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.28 2wgq n ASP 239 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wgq s ALA 240 N -2.59 3.39 -0.46 2.24 0.00 -1.25 -4.98 121.76 118.10 2wgq s ALA 240 Ca -0.05 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 2wgq s ALA 240 Cb 0.08 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2wgq s ALA 240 CO 0.83 -0.52 1.24 0.50 0.00 0.00 0.00 175.76 177.80 2wgq s ARG 241 N -1.86 3.66 0.27 0.00 3.52 -1.26 -4.98 118.95 118.29 2wgq s ARG 241 Ca 0.50 0.68 0.10 0.00 -0.13 0.00 0.00 55.73 56.89 2wgq s ARG 241 Cb -0.36 -3.96 -0.05 0.00 -1.56 0.00 0.00 34.95 29.03 2wgq s ARG 241 CO 0.47 -1.47 -0.09 -0.51 -0.81 0.00 0.00 175.30 172.89 2wgq s LEU 242 N 4.85 2.94 -0.07 -0.88 1.43 -1.26 -2.07 118.68 123.62 2wgq s LEU 242 Ca 0.53 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 2wgq s LEU 242 Cb -0.09 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.69 2wgq s LEU 242 CO 0.32 0.02 0.30 -0.76 0.23 0.00 0.00 176.35 176.47 2wgq s LEU 243 N -3.55 0.87 0.21 1.79 1.43 -0.57 -4.69 118.68 114.17 2wgq s LEU 243 Ca 0.30 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2wgq s LEU 243 Cb -0.06 1.13 -0.04 0.00 0.03 0.00 0.00 46.19 47.25 2wgq s LEU 243 CO 0.18 -0.27 0.39 -0.54 0.23 0.00 0.00 176.35 176.33 2wgq s LYS 244 N -0.56 3.50 -0.29 1.70 1.02 -0.41 -0.57 119.74 124.13 2wgq s LYS 244 Ca -0.07 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 2wgq s LYS 244 Cb -0.04 -2.85 0.09 0.00 -0.52 0.00 0.00 37.83 34.51 2wgq s LYS 244 CO 0.02 0.40 0.07 0.08 -0.92 0.00 0.00 175.35 175.00 2wgq s VAL 245 N -1.90 1.01 0.45 3.17 1.01 0.17 -1.60 120.40 122.70 2wgq s VAL 245 Ca 0.37 -1.32 -0.19 0.00 0.00 0.00 0.00 61.98 60.84 2wgq s VAL 245 Cb -0.11 -1.66 -0.10 0.00 0.00 0.00 0.00 36.38 34.51 2wgq s VAL 245 CO 0.30 -0.53 0.94 -0.63 0.00 0.00 0.00 175.10 175.18 2wgq s ILE 246 N 1.57 4.46 -0.01 2.22 1.09 -1.09 -3.02 121.20 126.42 2wgq s ILE 246 Ca 0.06 1.35 0.02 0.00 -1.10 0.00 0.00 60.65 60.98 2wgq s ILE 246 Cb -0.18 -3.64 -0.00 0.00 -1.06 0.00 0.00 42.46 37.59 2wgq s ILE 246 CO -0.19 -0.42 -0.06 -0.44 -0.10 0.00 0.00 174.94 173.73 2wgq s SER 247 N -2.47 0.71 0.29 3.58 0.01 -1.26 -0.65 113.70 113.90 2wgq s SER 247 Ca 0.60 -0.11 0.05 0.00 1.31 0.00 0.00 55.95 57.81 2wgq s SER 247 Cb -0.09 -0.12 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 2wgq s SER 247 CO 0.19 0.05 -0.01 -0.31 0.41 0.00 0.00 173.24 173.58 2wgq s TYR 248 N 0.01 1.88 -0.31 2.43 2.02 -0.06 -2.04 117.35 121.27 2wgq s TYR 248 Ca 0.00 -0.84 -0.04 0.00 -0.37 0.00 0.00 57.07 55.83 2wgq s TYR 248 Cb -0.04 -1.14 0.04 0.00 -0.40 0.00 0.00 41.96 40.42 2wgq s TYR 248 CO -0.00 0.12 0.04 -1.17 -1.57 0.00 0.00 175.55 172.97 2wgq s LEU 249 N -3.43 3.98 -0.18 -1.29 2.96 -0.59 0.20 118.68 120.32 2wgq s LEU 249 Ca 0.32 -1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 52.82 2wgq s LEU 249 Cb 0.06 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 2wgq s LEU 249 CO 0.12 -0.26 1.92 -0.62 -1.32 0.00 0.00 176.35 176.19 2wgq s ASP 250 N 1.34 6.01 -0.04 3.68 2.15 0.25 -4.75 116.67 125.32 2wgq s ASP 250 Ca -0.03 1.89 0.10 0.00 0.43 0.00 0.00 52.55 54.94 2wgq s ASP 250 Cb -0.19 -2.52 0.27 0.00 -0.30 0.00 0.00 42.92 40.18 2wgq s ASP 250 CO 0.00 -1.52 1.22 1.33 -0.17 0.00 0.00 175.17 176.04 2wgq n VAL 251 N 6.83 1.25 -0.20 1.11 0.24 -1.26 -4.83 118.33 121.47 2wgq n VAL 251 Ca 0.23 -1.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.32 2wgq n VAL 251 Cb 0.44 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 2wgq n VAL 251 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wgq n GLY 252 N 0.02 0.62 0.49 7.63 0.00 -1.26 -4.94 105.19 107.74 2wgq n GLY 252 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 1.73 0.00 1.61 5.75 -1.26 -4.92 116.55 119.45 2wgq n ASP 253 Ca 0.00 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 2wgq n ASP 253 Cb 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 1.31 0.71 2.48 6.12 0.00 -1.26 -4.23 105.19 110.33 2wgq n GLY 254 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 3.48 0.28 1.61 5.15 -1.26 -4.91 115.26 119.56 2wgq n ASN 255 Ca 0.00 -3.37 0.12 0.00 -0.60 0.00 0.00 54.58 50.73 2wgq n ASN 255 Cb 0.02 -0.68 0.79 0.00 -0.53 0.00 0.00 39.78 39.38 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 4.36 0.00 -0.47 1.20 -0.00 -1.92 -0.47 116.97 119.67 2wgq h TYR 256 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 58.73 59.05 2wgq h TYR 256 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.40 2wgq h TYR 256 CO 0.70 0.03 0.36 -1.49 -0.00 0.00 0.00 178.16 177.75 2wgq h TRP 257 N 0.00 0.00 0.00 0.10 4.06 -1.93 -1.12 115.95 117.06 2wgq h TRP 257 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wgq h TRP 257 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 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 -2.58 2.27 -3.16 1.49 0.00 -0.19 -4.08 120.51 114.27 2wgq n ALA 258 Ca 0.08 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 2wgq n ALA 258 Cb 0.56 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.70 0.61 -1.27 0.00 8.25 -0.42 -4.76 115.22 116.93 2wgq n HIS 259 Ca 0.07 -3.83 -0.33 0.00 -0.26 0.00 0.00 57.72 53.37 2wgq n HIS 259 Cb 0.03 -0.43 0.11 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.49 1.95 -0.61 -0.41 0.04 -1.26 -1.55 135.00 130.68 2wgq s PRO 260 Ca 0.41 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 2wgq s PRO 260 Cb 0.33 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 33.20 2wgq s PRO 260 CO -0.09 -1.94 0.43 0.42 0.04 0.00 0.00 177.00 175.86 2wgq s ILE 261 N -2.30 3.68 0.33 0.56 1.01 -0.87 -4.13 121.20 119.49 2wgq s ILE 261 Ca 0.70 -2.92 -0.28 0.00 0.00 0.00 0.00 60.65 58.15 2wgq s ILE 261 Cb -0.25 -3.41 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 2wgq s ILE 261 CO 0.49 -0.87 1.17 -0.70 0.00 0.00 0.00 174.94 175.03 2wgq s GLU 262 N -0.01 4.38 -1.17 2.79 2.56 -1.26 -3.15 118.70 122.83 2wgq s GLU 262 Ca 0.16 1.89 0.00 0.00 0.00 0.00 0.00 54.97 57.03 2wgq s GLU 262 Cb -0.20 -2.97 0.00 0.00 2.00 0.00 0.00 34.13 32.95 2wgq s GLU 262 CO -0.03 -0.06 0.00 0.09 -0.56 0.00 0.00 175.26 174.70 2wgq n ASN 263 N 0.70 -4.21 -4.18 -1.70 5.03 -1.26 -4.46 115.26 105.18 2wgq n ASN 263 Ca 0.01 0.19 -0.36 0.00 0.87 0.00 0.00 54.58 55.30 2wgq n ASN 263 Cb 0.45 -2.97 -0.13 0.00 -1.02 0.00 0.00 39.78 36.11 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 -2.90 4.27 -0.13 3.41 2.96 -1.19 -1.35 118.68 123.75 2wgq s LEU 264 Ca 0.00 -1.42 0.03 0.00 -0.22 0.00 0.00 54.13 52.52 2wgq s LEU 264 Cb 0.00 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.93 2wgq s LEU 264 CO 0.00 -0.33 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.79 2wgq s VAL 265 N 1.25 2.01 -0.07 1.68 1.01 -0.69 -4.36 120.40 121.24 2wgq s VAL 265 Ca -0.02 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.02 2wgq s VAL 265 Cb -0.20 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2wgq s VAL 265 CO -0.01 0.54 -0.09 0.00 0.00 0.00 0.00 175.10 175.54 2wgq s ALA 266 N 0.73 2.89 -0.28 5.51 0.00 -1.17 -0.79 121.76 128.67 2wgq s ALA 266 Ca -0.09 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 2wgq s ALA 266 Cb -0.16 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.80 2wgq s ALA 266 CO 0.00 0.55 0.04 0.08 0.00 0.00 0.00 175.76 176.43 2wgq s VAL 267 N -0.74 3.68 -0.15 0.00 1.01 0.10 -0.66 120.40 123.64 2wgq s VAL 267 Ca 0.11 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2wgq s VAL 267 Cb -0.11 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2wgq s VAL 267 CO 0.01 0.15 0.02 -0.69 0.00 0.00 0.00 175.10 174.59 2wgq s VAL 268 N 1.46 4.41 -0.33 2.92 1.01 0.26 0.55 120.40 130.68 2wgq s VAL 268 Ca 0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 2wgq s VAL 268 Cb -0.17 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 2wgq s VAL 268 CO 0.00 0.51 0.23 -0.62 0.00 0.00 0.00 175.10 175.22 2wgq s ASP 269 N 0.05 6.04 0.49 3.32 -1.08 -0.52 -1.52 116.67 123.46 2wgq s ASP 269 Ca 0.03 -0.35 0.29 0.00 -0.52 0.00 0.00 52.55 52.00 2wgq s ASP 269 Cb -0.13 -2.13 0.94 0.00 -1.46 0.00 0.00 42.92 40.14 2wgq s ASP 269 CO 0.02 -0.20 1.83 -0.07 0.52 0.00 0.00 175.17 177.26 2wgq h LEU 270 N 8.47 0.00 0.22 -1.34 3.38 -1.71 0.24 115.31 124.56 2wgq h LEU 270 Ca -0.32 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.31 2wgq h LEU 270 Cb 1.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.94 2wgq h LEU 270 CO 0.62 0.00 -1.62 -0.33 0.09 0.00 0.00 178.44 177.20 2wgq h GLU 271 N 0.00 0.47 0.00 1.13 4.39 -1.94 -3.26 114.58 115.37 2wgq h GLU 271 Ca 0.00 -0.81 -0.02 0.00 0.34 0.00 0.00 59.36 58.88 2wgq h GLU 271 Cb 0.71 0.30 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2wgq h GLU 271 CO 0.00 1.39 -0.08 1.96 -1.16 0.00 0.00 179.01 181.11 2wgq h GLN 272 N 0.12 0.00 -5.74 2.33 4.20 -1.93 -3.47 115.11 110.62 2wgq h GLN 272 Ca -0.30 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.06 2wgq h GLN 272 Cb 2.13 0.00 0.15 0.00 0.30 0.00 0.00 27.48 30.06 2wgq h GLN 272 CO 0.23 0.08 -0.79 1.63 -0.67 0.00 0.00 178.83 179.31 2wgq n LYS 273 N -3.18 -5.91 -3.73 1.46 5.02 0.05 -5.03 118.16 106.84 2wgq n LYS 273 Ca 0.01 0.80 -0.10 0.00 -2.02 0.00 0.00 58.31 57.00 2wgq n LYS 273 Cb 0.40 -5.70 -0.04 0.00 -0.02 0.00 0.00 35.03 29.68 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 -5.44 1.40 0.37 1.97 -2.85 -1.08 -4.98 119.74 109.13 2wgq s LYS 274 Ca 0.04 -0.86 -0.27 0.00 -1.00 0.00 0.00 55.97 53.87 2wgq s LYS 274 Cb -0.01 0.53 -0.10 0.00 -2.06 0.00 0.00 37.83 36.20 2wgq s LYS 274 CO 0.75 -0.60 1.31 0.42 0.10 0.00 0.00 175.35 177.33 2wgq s ILE 275 N -3.87 2.65 0.00 3.79 1.01 -1.26 -1.44 121.20 122.09 2wgq s ILE 275 Ca 0.09 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.37 2wgq s ILE 275 Cb -0.01 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2wgq s ILE 275 CO -0.03 0.12 0.83 1.33 0.00 0.00 0.00 174.94 177.20 2wgq n VAL 276 N 0.48 0.68 0.00 2.92 0.24 0.19 -4.88 118.33 117.96 2wgq n VAL 276 Ca 0.02 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 2wgq n VAL 276 Cb 0.42 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 2wgq n VAL 276 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2wgq n LYS 277 N -0.34 0.00 -3.99 7.34 4.81 -1.21 -4.97 118.16 119.80 2wgq n LYS 277 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 2wgq n LYS 277 Cb 0.29 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.18 2wgq n LYS 277 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wgq s ILE 278 N 0.00 2.01 -0.17 3.15 1.01 -1.26 0.02 121.20 125.95 2wgq s ILE 278 Ca 0.00 -1.98 -0.26 0.00 0.00 0.00 0.00 60.65 58.41 2wgq s ILE 278 Cb 0.00 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 2wgq s ILE 278 CO 0.00 -0.45 0.87 -1.61 0.00 0.00 0.00 174.94 173.76 2wgq s GLU 279 N 1.08 4.30 -0.07 2.79 2.02 0.03 -4.98 118.70 123.88 2wgq s GLU 279 Ca 0.05 1.09 0.06 0.00 0.02 0.00 0.00 54.97 56.19 2wgq s GLU 279 Cb -0.19 -3.58 -0.01 0.00 0.10 0.00 0.00 34.13 30.45 2wgq s GLU 279 CO -0.09 -0.37 -0.24 -1.21 0.02 0.00 0.00 175.26 173.36 2wgq s GLU 280 N 2.30 2.61 0.00 1.61 2.02 -1.26 -1.71 118.70 124.27 2wgq s GLU 280 Ca 0.40 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2wgq s GLU 280 Cb -0.16 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.91 2wgq s GLU 280 CO 0.12 0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.14 2wgq n GLY 281 N 3.08 5.51 3.29 -1.39 0.00 -0.45 -5.05 105.19 110.19 2wgq n GLY 281 Ca -0.18 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.06 -1.05 -4.05 1.61 -0.02 -1.26 -4.93 135.00 125.24 2wgq n PRO 282 Ca 0.00 -0.28 -0.35 0.00 -2.02 0.00 0.00 63.50 60.85 2wgq n PRO 282 Cb 0.00 -1.68 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.26 4.07 -0.12 -1.45 1.01 -1.26 -4.67 120.40 115.72 2wgq s VAL 283 Ca 0.55 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2wgq s VAL 283 Cb -0.14 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.41 2wgq s VAL 283 CO 0.67 0.42 -0.22 -0.69 0.00 0.00 0.00 175.10 175.29 2wgq s VAL 284 N 0.98 1.97 0.25 2.92 1.01 -1.26 -5.08 120.40 121.19 2wgq s VAL 284 Ca 0.02 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 2wgq s VAL 284 Cb -0.14 -1.73 -0.13 0.00 0.00 0.00 0.00 36.38 34.37 2wgq s VAL 284 CO 0.02 0.54 1.40 -2.65 0.00 0.00 0.00 175.10 174.40 2wgq n PRO 285 N 3.86 2.03 -1.71 2.72 -0.02 -1.26 -4.51 135.00 136.10 2wgq n PRO 285 Ca -0.20 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2wgq n PRO 285 Cb 0.52 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2wgq n PRO 285 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wgq s VAL 286 N -0.13 2.27 0.25 -1.45 1.01 -1.26 -4.80 120.40 116.29 2wgq s VAL 286 Ca 0.67 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 2wgq s VAL 286 Cb -0.64 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 2wgq s VAL 286 CO 0.50 0.00 1.45 -2.84 0.00 0.00 0.00 175.10 174.21 2wgq s PRO 287 N 1.98 4.26 -0.10 2.72 0.02 -1.26 -4.92 135.00 137.70 2wgq s PRO 287 Ca 0.78 2.31 0.11 0.00 0.02 0.00 0.00 61.00 64.23 2wgq s PRO 287 Cb -0.48 -3.11 -0.16 0.00 0.02 0.00 0.00 34.50 30.77 2wgq s PRO 287 CO 0.34 -0.43 0.08 -1.33 -0.33 0.00 0.00 177.00 175.33 2wgq n MET 288 N 2.39 1.74 -1.66 5.54 2.81 -1.26 -4.56 117.12 122.13 2wgq n MET 288 Ca 0.07 -0.02 -0.43 0.00 -1.81 0.00 0.00 57.70 55.51 2wgq n MET 288 Cb 0.40 -1.31 -0.00 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.37 2.11 -1.90 2.03 -1.04 -1.26 -4.88 114.28 106.97 2wgq n THR 289 Ca -0.17 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 60.92 2wgq n THR 289 Cb 0.81 -1.38 -0.03 0.00 -1.82 0.00 0.00 70.33 67.91 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 3.77 -0.40 2.41 0.00 -1.26 -4.95 121.76 120.21 2wgq s ALA 290 Ca 0.58 1.42 0.11 0.00 0.00 0.00 0.00 51.96 54.07 2wgq s ALA 290 Cb -0.59 -3.62 0.33 0.00 0.00 0.00 0.00 23.12 19.23 2wgq s ALA 290 CO 0.61 -0.82 0.72 0.54 0.00 0.00 0.00 175.76 176.81 2wgq n ARG 291 N 3.42 1.20 -1.69 0.00 5.12 -1.26 -5.12 116.66 118.33 2wgq n ARG 291 Ca 0.12 -3.54 -0.32 0.00 -1.93 0.00 0.00 57.85 52.19 2wgq n ARG 291 Cb 0.38 -1.70 0.04 0.00 -1.16 0.00 0.00 32.46 30.02 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 -2.35 2.97 0.00 5.56 0.04 -1.26 -4.71 135.00 135.25 2wgq s PRO 292 Ca 0.40 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.53 2wgq s PRO 292 Cb 0.31 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.88 2wgq s PRO 292 CO -0.09 -1.08 0.61 1.97 0.04 0.00 0.00 177.00 178.45 2wgq n PHE 293 N -2.81 0.01 1.28 0.56 1.16 -1.26 -4.76 117.46 111.63 2wgq n PHE 293 Ca 0.08 -0.05 0.13 0.00 -1.87 0.00 0.00 57.45 55.74 2wgq n PHE 293 Cb 0.53 -0.01 0.33 0.00 -1.61 0.00 0.00 39.48 38.73 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 0.05 2.10 0.00 5.98 5.68 -1.26 -4.97 116.55 124.13 2wgq n ASP 294 Ca 0.01 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 2wgq n ASP 294 Cb 0.07 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2wgq n ASP 294 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wgq n GLY 295 N 1.26 1.07 0.51 6.12 0.00 -1.26 -4.92 105.19 107.97 2wgq n GLY 295 Ca 0.16 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.50 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 3.36 0.00 -0.29 1.61 0.11 -1.95 0.17 114.38 117.39 2wgq h ARG 296 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2wgq h ARG 296 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 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 -3.82 3.66 -4.30 0.08 5.75 -1.26 -5.02 116.55 111.63 2wgq n ASP 297 Ca 0.22 -3.16 -0.16 0.00 -0.01 0.00 0.00 54.79 51.68 2wgq n ASP 297 Cb 1.21 -0.57 -0.10 0.00 -1.03 0.00 0.00 41.12 40.63 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 -2.91 1.35 -0.15 0.11 1.81 0.60 -5.14 118.95 114.62 2wgq s ARG 298 Ca 0.43 -1.72 -0.02 0.00 -1.72 0.00 0.00 55.73 52.70 2wgq s ARG 298 Cb 0.36 -0.23 0.05 0.00 -0.45 0.00 0.00 34.95 34.67 2wgq s ARG 298 CO 0.07 -0.28 0.02 0.08 -0.68 0.00 0.00 175.30 174.51 2wgq s VAL 299 N -3.76 0.53 0.49 3.52 1.01 -1.26 -4.98 120.40 115.94 2wgq s VAL 299 Ca 0.36 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 2wgq s VAL 299 Cb 0.08 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 2wgq s VAL 299 CO 0.12 -0.01 1.28 0.00 0.00 0.00 0.00 175.10 176.49 2wgq n ALA 300 N 5.07 1.34 -1.77 5.51 0.00 -1.26 -4.98 120.51 124.42 2wgq n ALA 300 Ca -0.09 0.19 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 2wgq n ALA 300 Cb 0.48 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 2wgq n ALA 300 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wgq s PRO 301 N -2.52 4.41 0.36 0.00 0.04 -1.26 -4.99 135.00 131.04 2wgq s PRO 301 Ca 0.66 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 63.16 2wgq s PRO 301 Cb -0.46 -2.92 -0.11 0.00 0.04 0.00 0.00 34.50 31.04 2wgq s PRO 301 CO 0.54 0.02 1.50 0.00 0.04 0.00 0.00 177.00 179.10 2wgq s ALA 302 N -1.34 3.60 -0.06 8.56 0.00 -1.26 -4.99 121.76 126.27 2wgq s ALA 302 Ca 0.50 1.58 0.02 0.00 0.00 0.00 0.00 51.96 54.06 2wgq s ALA 302 Cb -0.29 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.22 2wgq s ALA 302 CO 0.37 -1.05 -0.12 0.08 0.00 0.00 0.00 175.76 175.05 2wgq s VAL 303 N -0.95 1.11 0.37 0.00 1.01 -1.26 -5.12 120.40 115.55 2wgq s VAL 303 Ca 0.54 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 2wgq s VAL 303 Cb -0.47 -1.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.80 2wgq s VAL 303 CO 0.61 0.35 1.37 -0.54 0.00 0.00 0.00 175.10 176.88 2wgq s LYS 304 N 0.58 4.16 0.45 2.72 3.01 -1.26 -4.98 119.74 124.42 2wgq s LYS 304 Ca -0.13 2.32 -0.25 0.00 -1.01 0.00 0.00 55.97 56.91 2wgq s LYS 304 Cb -0.15 -2.95 -0.08 0.00 -1.01 0.00 0.00 37.83 33.64 2wgq s LYS 304 CO 0.03 -0.39 1.36 -1.25 0.51 0.00 0.00 175.35 175.61 2wgq s PRO 305 N -2.02 3.72 -0.06 -1.68 0.04 -1.26 -5.05 135.00 128.69 2wgq s PRO 305 Ca 0.52 2.27 0.04 0.00 0.04 0.00 0.00 61.00 63.88 2wgq s PRO 305 Cb -0.42 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2wgq s PRO 305 CO 0.55 -0.74 -0.19 1.41 0.04 0.00 0.00 177.00 178.08 2wgq s MET 306 N -2.45 2.17 -0.02 4.56 1.75 -1.26 -5.14 119.30 118.91 2wgq s MET 306 Ca 0.61 -0.67 0.05 0.00 -1.25 0.00 0.00 55.69 54.43 2wgq s MET 306 Cb -0.41 -1.78 -0.01 0.00 2.84 0.00 0.00 34.83 35.48 2wgq s MET 306 CO 0.52 0.20 -0.17 -0.65 -0.65 0.00 0.00 175.02 174.27 2wgq s GLN 307 N 0.22 1.48 -0.43 4.11 -0.21 -1.26 -4.97 119.66 118.60 2wgq s GLN 307 Ca -0.10 -0.60 -0.07 0.00 0.02 0.00 0.00 55.36 54.61 2wgq s GLN 307 Cb -0.14 -1.38 0.10 0.00 1.00 0.00 0.00 33.01 32.58 2wgq s GLN 307 CO 0.04 0.32 0.27 0.42 -2.12 0.00 0.00 175.29 174.23 2wgq s ILE 308 N -0.25 3.95 0.01 1.08 1.01 -1.26 -5.09 121.20 120.65 2wgq s ILE 308 Ca 0.03 -1.72 0.02 0.00 0.00 0.00 0.00 60.65 58.99 2wgq s ILE 308 Cb -0.08 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2wgq s ILE 308 CO 0.00 -0.65 -0.02 0.27 0.00 0.00 0.00 174.94 174.54 2wgq s ILE 309 N 1.32 3.98 -0.52 2.92 -4.36 -1.26 -3.69 121.20 119.60 2wgq s ILE 309 Ca 0.05 -0.68 0.04 0.00 -0.26 0.00 0.00 60.65 59.80 2wgq s ILE 309 Cb -0.24 -2.77 0.16 0.00 1.25 0.00 0.00 42.46 40.86 2wgq s ILE 309 CO -0.01 0.37 0.36 -1.61 0.24 0.00 0.00 174.94 174.29 2wgq s GLU 310 N -1.55 1.54 0.16 0.37 2.02 -1.26 -5.00 118.70 114.97 2wgq s GLU 310 Ca 0.19 -2.48 0.23 0.00 0.02 0.00 0.00 54.97 52.93 2wgq s GLU 310 Cb -0.11 -2.36 0.90 0.00 0.10 0.00 0.00 34.13 32.65 2wgq s GLU 310 CO 0.10 -1.28 1.70 -0.35 0.02 0.00 0.00 175.26 175.45 2wgq n PRO 311 N 2.78 0.14 -0.15 0.39 -0.05 -1.26 -1.24 135.00 135.62 2wgq n PRO 311 Ca 0.20 0.28 0.05 0.00 -0.05 0.00 0.00 63.50 63.98 2wgq n PRO 311 Cb 0.39 -1.73 0.13 0.00 -0.05 0.00 0.00 33.50 32.25 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 -1.99 2.60 0.00 0.54 1.02 -1.26 -3.05 120.64 118.49 2wgq n GLU 312 Ca 0.04 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.26 2wgq n GLU 312 Cb 0.28 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2wgq n GLU 312 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wgq n GLY 313 N 0.48 -1.35 3.94 0.62 0.00 -0.37 -4.82 105.19 103.69 2wgq n GLY 313 Ca 0.10 -2.10 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 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 3.42 0.13 1.61 -0.14 -1.26 -4.83 119.74 118.68 2wgq s LYS 314 Ca 0.00 -0.38 0.25 0.00 -1.36 0.00 0.00 55.97 54.48 2wgq s LYS 314 Cb 0.00 -2.66 0.44 0.00 -1.68 0.00 0.00 37.83 33.93 2wgq s LYS 314 CO 0.00 0.10 1.41 0.09 -0.76 0.00 0.00 175.35 176.18 2wgq n ASN 315 N -1.82 0.72 -4.96 2.83 4.13 -1.26 -4.91 115.26 109.99 2wgq n ASN 315 Ca -0.04 0.20 -0.22 0.00 1.68 0.00 0.00 54.58 56.21 2wgq n ASN 315 Cb 0.56 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 2wgq n ASN 315 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2wgq s TYR 316 N -3.15 3.22 -0.02 3.10 1.13 -1.26 -4.52 117.35 115.84 2wgq s TYR 316 Ca 0.07 0.08 0.02 0.00 -1.41 0.00 0.00 57.07 55.83 2wgq s TYR 316 Cb 0.13 -2.14 0.00 0.00 -1.10 0.00 0.00 41.96 38.85 2wgq s TYR 316 CO 0.70 -0.17 -0.08 0.99 -2.51 0.00 0.00 175.55 174.48 2wgq s THR 317 N -2.39 0.68 -0.26 -3.49 2.01 -0.05 -4.70 115.64 107.45 2wgq s THR 317 Ca 0.46 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2wgq s THR 317 Cb -0.10 -0.61 0.05 0.00 0.01 0.00 0.00 72.50 71.85 2wgq s THR 317 CO 0.35 0.22 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.79 2wgq s ILE 318 N 0.19 2.50 -0.39 1.82 1.01 0.83 -0.25 121.20 126.91 2wgq s ILE 318 Ca -0.03 -1.38 -0.03 0.00 0.00 0.00 0.00 60.65 59.21 2wgq s ILE 318 Cb -0.08 -2.38 0.10 0.00 0.01 0.00 0.00 42.46 40.11 2wgq s ILE 318 CO 0.00 0.06 0.18 -0.89 0.00 0.00 0.00 174.94 174.29 2wgq s THR 319 N 1.20 3.30 0.00 2.92 2.01 0.19 -1.48 115.64 123.79 2wgq s THR 319 Ca -0.05 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.02 2wgq s THR 319 Cb -0.19 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.12 2wgq s THR 319 CO -0.05 -0.60 0.00 0.61 -0.69 0.00 0.00 174.62 173.89 2wgq n GLY 320 N 4.62 1.04 0.06 4.40 0.00 -1.21 -0.74 105.19 113.36 2wgq n GLY 320 Ca -0.04 0.45 0.03 0.00 0.00 0.00 0.00 46.02 46.46 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 10.82 0.59 -4.69 1.61 8.00 -1.26 -4.98 116.55 126.64 2wgq n ASP 321 Ca 0.00 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.28 2wgq n ASP 321 Cb 0.00 0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 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 -1.21 4.35 -0.16 -1.24 -1.94 0.08 -1.55 119.30 117.62 2wgq s MET 322 Ca 0.03 1.81 -0.02 0.00 -1.71 0.00 0.00 55.69 55.80 2wgq s MET 322 Cb 0.04 -3.50 -0.02 0.00 2.01 0.00 0.00 34.83 33.36 2wgq s MET 322 CO 0.17 -0.44 -0.08 0.42 -0.01 0.00 0.00 175.02 175.08 2wgq s ILE 323 N 1.96 3.44 -0.08 2.53 1.01 0.20 0.57 121.20 130.84 2wgq s ILE 323 Ca 0.59 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.75 2wgq s ILE 323 Cb -0.28 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 2wgq s ILE 323 CO 0.25 0.49 -0.11 -2.28 0.00 0.00 0.00 174.94 173.29 2wgq s HIS 324 N 0.61 2.81 -0.30 3.97 5.65 0.66 -1.66 115.29 127.04 2wgq s HIS 324 Ca -0.05 -0.20 -0.07 0.00 0.25 0.00 0.00 55.06 54.99 2wgq s HIS 324 Cb -0.15 -1.71 0.17 0.00 -1.18 0.00 0.00 32.58 29.70 2wgq s HIS 324 CO 0.03 0.14 0.71 -0.46 -0.65 0.00 0.00 174.74 174.51 2wgq s TRP 325 N -0.49 -1.30 0.00 3.88 -0.00 -0.67 -0.87 118.94 119.49 2wgq s TRP 325 Ca 0.07 1.74 0.00 0.00 -0.00 0.00 0.00 56.10 57.91 2wgq s TRP 325 Cb -0.12 0.59 0.00 0.00 -0.00 0.00 0.00 33.47 33.94 2wgq s TRP 325 CO 0.02 -0.68 0.00 0.54 -0.00 0.00 0.00 176.95 176.82 2wgq n ARG 326 N 5.39 0.00 -0.12 5.86 5.12 -1.26 -0.12 116.66 131.53 2wgq n ARG 326 Ca -0.06 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 55.95 2wgq n ARG 326 Cb 0.51 0.00 0.30 0.00 -1.16 0.00 0.00 32.46 32.11 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 3.86 1.89 -4.90 0.55 5.03 -1.26 -4.88 115.26 115.55 2wgq n ASN 327 Ca 0.00 -1.81 -0.33 0.00 0.87 0.00 0.00 54.58 53.31 2wgq n ASN 327 Cb 0.00 -0.16 -0.05 0.00 -1.02 0.00 0.00 39.78 38.55 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 -1.68 3.54 -0.07 3.10 0.52 0.83 0.64 118.94 125.82 2wgq s TRP 328 Ca 0.31 0.44 -0.03 0.00 0.02 0.00 0.00 56.10 56.83 2wgq s TRP 328 Cb 0.17 -1.89 0.04 0.00 -1.15 0.00 0.00 33.47 30.63 2wgq s TRP 328 CO 0.24 0.59 0.15 -0.51 0.02 0.00 0.00 176.95 177.45 2wgq s ASP 329 N -2.04 -0.12 0.32 2.95 1.01 -0.72 -1.66 116.67 116.40 2wgq s ASP 329 Ca 0.31 0.31 -0.19 0.00 0.71 0.00 0.00 52.55 53.69 2wgq s ASP 329 Cb -0.13 0.21 0.04 0.00 1.01 0.00 0.00 42.92 44.05 2wgq s ASP 329 CO 0.20 -0.14 0.76 0.72 0.21 0.00 0.00 175.17 176.92 2wgq s PHE 330 N 1.05 -0.06 -0.10 4.23 -0.71 -0.66 -1.28 117.98 120.45 2wgq s PHE 330 Ca -0.08 -0.49 0.03 0.00 -1.04 0.00 0.00 56.93 55.35 2wgq s PHE 330 Cb -0.10 0.76 0.01 0.00 -1.21 0.00 0.00 43.02 42.48 2wgq s PHE 330 CO -0.05 -1.37 -0.18 -1.58 -1.34 0.00 0.00 175.22 170.70 2wgq s HIS 331 N -3.23 2.13 -0.22 3.49 2.46 0.38 0.58 115.29 120.88 2wgq s HIS 331 Ca 0.13 -0.94 -0.03 0.00 0.47 0.00 0.00 55.06 54.68 2wgq s HIS 331 Cb -0.06 -1.49 -0.00 0.00 -0.13 0.00 0.00 32.58 30.90 2wgq s HIS 331 CO 0.09 -0.44 -0.05 -1.17 -2.47 0.00 0.00 174.74 170.70 2wgq s LEU 332 N 0.73 2.91 0.17 8.88 2.96 -0.60 -0.50 118.68 133.23 2wgq s LEU 332 Ca -0.12 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2wgq s LEU 332 Cb -0.16 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2wgq s LEU 332 CO 0.02 -0.03 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.39 2wgq s SER 333 N 1.46 2.80 -0.10 3.68 0.01 -0.31 -4.77 113.70 116.47 2wgq s SER 333 Ca 0.05 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.46 2wgq s SER 333 Cb -0.14 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 2wgq s SER 333 CO -0.04 -0.02 -0.14 -0.32 0.41 0.00 0.00 173.24 173.14 2wgq s MET 334 N -2.82 3.02 0.03 12.44 1.75 -1.26 0.51 119.30 132.98 2wgq s MET 334 Ca 0.17 -0.70 0.08 0.00 -1.25 0.00 0.00 55.69 53.99 2wgq s MET 334 Cb -0.06 -2.52 -0.02 0.00 2.84 0.00 0.00 34.83 35.07 2wgq s MET 334 CO 0.07 0.37 -0.22 1.21 -0.65 0.00 0.00 175.02 175.80 2wgq s ASN 335 N -0.08 2.66 0.46 1.11 3.84 0.09 -4.91 114.94 118.12 2wgq s ASN 335 Ca -0.02 -0.52 0.26 0.00 0.21 0.00 0.00 52.86 52.79 2wgq s ASN 335 Cb -0.14 -0.24 0.96 0.00 -0.55 0.00 0.00 41.25 41.28 2wgq s ASN 335 CO 0.04 0.20 1.84 0.77 -2.79 0.00 0.00 177.10 177.16 2wgq h SER 336 N 4.96 0.00 0.00 -4.21 4.64 -1.91 -2.45 113.55 114.59 2wgq h SER 336 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2wgq h SER 336 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2wgq h SER 336 CO 0.44 0.16 -0.44 -0.09 -0.87 0.00 0.00 176.83 176.03 2wgq h ARG 337 N 0.00 0.00 -0.02 4.77 2.43 -1.90 -0.06 114.38 119.61 2wgq h ARG 337 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wgq h ARG 337 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2wgq h ARG 337 CO 0.02 0.02 -0.20 1.33 -1.51 0.00 0.00 179.97 179.64 2wgq n VAL 338 N -4.64 0.00 -1.67 0.20 0.24 -1.25 -2.24 118.33 108.97 2wgq n VAL 338 Ca -0.06 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 2wgq n VAL 338 Cb 0.23 1.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 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 1.22 0.70 3.78 7.63 0.00 -0.92 -4.47 105.19 113.14 2wgq n GLY 339 Ca 0.10 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 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 3.82 -0.10 1.61 0.04 -1.26 -0.73 135.00 138.38 2wgq s PRO 340 Ca 0.00 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2wgq s PRO 340 Cb 0.00 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2wgq s PRO 340 CO 0.00 -0.45 -0.16 -1.64 0.04 0.00 0.00 177.00 174.79 2wgq s MET 341 N -2.93 2.26 -0.29 4.56 -1.94 0.18 -4.41 119.30 116.73 2wgq s MET 341 Ca 0.65 -0.59 -0.12 0.00 -1.71 0.00 0.00 55.69 53.93 2wgq s MET 341 Cb -0.22 -1.87 -0.04 0.00 2.01 0.00 0.00 34.83 34.71 2wgq s MET 341 CO 0.26 -0.01 0.22 0.42 -0.01 0.00 0.00 175.02 175.89 2wgq s ILE 342 N 0.84 5.29 0.18 2.53 -1.09 0.95 -1.17 121.20 128.74 2wgq s ILE 342 Ca -0.10 0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.46 2wgq s ILE 342 Cb -0.15 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 2wgq s ILE 342 CO 0.01 0.18 -0.02 -0.44 -1.23 0.00 0.00 174.94 173.43 2wgq s SER 343 N 1.74 1.53 -0.60 3.58 0.01 0.34 0.25 113.70 120.55 2wgq s SER 343 Ca 0.07 -1.15 -0.06 0.00 1.31 0.00 0.00 55.95 56.13 2wgq s SER 343 Cb -0.16 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.13 2wgq s SER 343 CO 0.11 -0.50 0.40 0.35 0.41 0.00 0.00 173.24 174.01 2wgq n THR 344 N -0.28 -1.99 -3.20 1.44 -2.24 0.11 -0.47 114.28 107.65 2wgq n THR 344 Ca -0.07 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 2wgq n THR 344 Cb 0.63 -1.75 -0.07 0.00 -2.10 0.00 0.00 70.33 67.03 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 -2.99 4.97 0.15 2.28 1.01 0.11 -4.20 120.40 121.73 2wgq s VAL 345 Ca 0.08 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.55 2wgq s VAL 345 Cb -0.05 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2wgq s VAL 345 CO 0.60 -0.27 -0.22 0.42 0.00 0.00 0.00 175.10 175.64 2wgq s THR 346 N 2.50 1.97 -0.21 3.92 -4.23 -0.40 -0.82 115.64 118.37 2wgq s THR 346 Ca 0.20 -1.81 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 2wgq s THR 346 Cb -0.15 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 2wgq s THR 346 CO 0.14 -0.14 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.59 2wgq s TYR 347 N -1.57 2.99 -0.83 3.99 6.14 -0.06 -1.75 117.35 126.26 2wgq s TYR 347 Ca 0.14 -0.69 -0.25 0.00 0.64 0.00 0.00 57.07 56.90 2wgq s TYR 347 Cb -0.08 -2.10 0.02 0.00 0.42 0.00 0.00 41.96 40.22 2wgq s TYR 347 CO 0.07 -0.40 1.49 1.21 0.64 0.00 0.00 175.55 178.55 2wgq s ASN 348 N 1.28 6.04 -0.76 4.32 2.47 0.21 -1.01 114.94 127.49 2wgq s ASN 348 Ca 0.04 -0.69 -0.21 0.00 0.42 0.00 0.00 52.86 52.41 2wgq s ASN 348 Cb -0.14 -2.56 0.09 0.00 -1.45 0.00 0.00 41.25 37.18 2wgq s ASN 348 CO -0.00 -1.90 1.04 -0.62 -3.72 0.00 0.00 177.10 171.89 2wgq s ASP 349 N 5.21 6.33 -1.34 -4.21 -1.08 -0.59 -4.40 116.67 116.60 2wgq s ASP 349 Ca 0.47 -1.35 -0.07 0.00 -0.52 0.00 0.00 52.55 51.09 2wgq s ASP 349 Cb -0.06 -2.42 0.04 0.00 -1.46 0.00 0.00 42.92 39.03 2wgq s ASP 349 CO 0.06 -1.33 0.45 -3.20 0.52 0.00 0.00 175.17 171.67 2wgq n ASN 350 N 7.39 -4.46 0.00 -0.34 4.05 -1.26 -2.01 115.26 118.63 2wgq n ASN 350 Ca 0.06 -0.27 0.00 0.00 0.45 0.00 0.00 54.58 54.82 2wgq n ASN 350 Cb 0.47 -3.67 0.00 0.00 1.23 0.00 0.00 39.78 37.81 2wgq n ASN 350 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wgq n GLY 351 N -1.22 0.59 3.15 8.20 0.00 -1.26 -5.08 105.19 109.57 2wgq n GLY 351 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 2.30 -0.23 2.61 2.01 -0.85 -5.08 115.64 114.41 2wgq s THR 352 Ca 0.00 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 2wgq s THR 352 Cb 0.00 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 2wgq s THR 352 CO 0.00 0.44 1.34 -0.54 -0.69 0.00 0.00 174.62 175.17 2wgq s LYS 353 N 1.30 4.03 -0.13 4.92 1.02 -1.26 -1.53 119.74 128.08 2wgq s LYS 353 Ca 0.03 1.50 -0.07 0.00 0.02 0.00 0.00 55.97 57.45 2wgq s LYS 353 Cb -0.14 -3.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 2wgq s LYS 353 CO -0.10 -0.97 0.11 1.03 -0.92 0.00 0.00 175.35 174.49 2wgq s ARG 354 N 3.96 3.54 0.34 1.68 0.52 -0.18 -4.90 118.95 123.92 2wgq s ARG 354 Ca 0.58 -0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 55.29 2wgq s ARG 354 Cb -0.20 -3.16 -0.10 0.00 0.52 0.00 0.00 34.95 32.00 2wgq s ARG 354 CO 0.21 0.63 1.38 0.15 0.02 0.00 0.00 175.30 177.69 2wgq s LYS 355 N -0.63 4.26 0.09 3.54 1.02 -1.26 -0.88 119.74 125.89 2wgq s LYS 355 Ca 0.12 2.34 0.00 0.00 0.02 0.00 0.00 55.97 58.46 2wgq s LYS 355 Cb -0.12 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 2wgq s LYS 355 CO 0.02 -0.33 0.00 0.28 -0.92 0.00 0.00 175.35 174.40 2wgq n VAL 356 N 0.90 0.77 -3.94 3.17 0.31 -0.00 -0.66 118.33 118.87 2wgq n VAL 356 Ca 0.01 0.25 -0.18 0.00 -0.01 0.00 0.00 64.34 64.41 2wgq n VAL 356 Cb 0.41 -1.41 -0.16 0.00 -0.91 0.00 0.00 33.84 31.76 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 0.42 -0.07 5.55 -2.45 -0.95 -0.66 119.30 119.14 2wgq s MET 357 Ca 0.00 0.06 -0.26 0.00 -1.25 0.00 0.00 55.69 54.24 2wgq s MET 357 Cb 0.00 -0.61 -0.21 0.00 1.25 0.00 0.00 34.83 35.25 2wgq s MET 357 CO 0.00 -0.15 1.01 -0.92 1.05 0.00 0.00 175.02 176.01 2wgq h TYR 358 N 7.43 -0.03 -2.53 4.11 3.20 -1.19 0.31 116.97 128.27 2wgq h TYR 358 Ca -0.37 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.41 2wgq h TYR 358 Cb 1.14 0.01 -0.25 0.00 1.54 0.00 0.00 36.73 39.17 2wgq h TYR 358 CO 0.50 0.63 -0.21 -2.00 -1.64 0.00 0.00 178.16 175.45 2wgq s GLU 359 N -3.36 0.49 0.03 1.82 2.12 -1.17 -0.71 118.70 117.92 2wgq s GLU 359 Ca -0.16 0.82 0.03 0.00 0.36 0.00 0.00 54.97 56.01 2wgq s GLU 359 Cb -0.00 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.46 2wgq s GLU 359 CO 0.64 -0.13 -0.08 0.20 -0.54 0.00 0.00 175.26 175.35 2wgq s GLY 360 N 1.08 0.49 -0.02 -1.50 0.00 0.14 -0.37 107.32 107.14 2wgq s GLY 360 Ca -0.07 -0.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.75 2wgq s GLY 360 CO -0.10 -0.62 0.99 -1.35 0.00 0.00 0.00 173.10 172.03 2wgq s SER 361 N -1.04 -0.27 0.29 1.64 1.04 -0.95 -0.03 113.70 114.38 2wgq s SER 361 Ca -0.04 -0.07 -0.28 0.00 0.48 0.00 0.00 55.95 56.04 2wgq s SER 361 Cb -0.07 0.34 -0.14 0.00 0.10 0.00 0.00 66.02 66.24 2wgq s SER 361 CO 0.00 -0.56 1.00 -0.11 0.98 0.00 0.00 173.24 174.55 2wgq n LEU 362 N -0.27 1.73 -0.12 2.42 7.94 -1.26 -1.79 117.00 125.65 2wgq n LEU 362 Ca -0.06 1.18 -0.25 0.00 -1.11 0.00 0.00 56.01 55.76 2wgq n LEU 362 Cb 0.61 -1.28 -0.11 0.00 0.53 0.00 0.00 43.42 43.17 2wgq n LEU 362 CO 0.11 -1.43 -1.27 0.61 -1.11 0.00 0.00 177.39 174.30 2wgq n GLY 363 N 1.25 -0.49 3.59 -3.96 0.00 0.10 -4.58 105.19 101.10 2wgq n GLY 363 Ca 0.10 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.69 -0.44 0.11 -0.02 0.00 -0.99 -4.38 107.32 95.91 2wgq s GLY 364 Ca -0.36 0.89 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 2wgq s GLY 364 CO 0.55 0.18 0.27 -3.16 0.00 0.00 0.00 173.10 170.94 2wgq s MET 365 N -2.24 0.94 -0.05 2.90 0.23 -1.26 -0.08 119.30 119.75 2wgq s MET 365 Ca 0.14 -0.89 -0.10 0.00 -1.03 0.00 0.00 55.69 53.82 2wgq s MET 365 Cb 0.06 0.39 0.02 0.00 -1.53 0.00 0.00 34.83 33.76 2wgq s MET 365 CO -0.05 -0.33 0.24 -1.50 -2.03 0.00 0.00 175.02 171.35 2wgq s ILE 366 N -3.85 0.04 -0.47 3.16 2.07 -0.48 -3.28 121.20 118.40 2wgq s ILE 366 Ca 0.05 -0.31 0.03 0.00 -1.41 0.00 0.00 60.65 59.01 2wgq s ILE 366 Cb 0.04 -0.45 0.16 0.00 0.13 0.00 0.00 42.46 42.34 2wgq s ILE 366 CO -0.11 -0.17 0.33 -0.69 -1.91 0.00 0.00 174.94 172.39 2wgq s VAL 367 N -0.67 1.03 0.17 4.00 1.01 0.65 -1.37 120.40 125.22 2wgq s VAL 367 Ca -0.08 -2.82 -0.03 0.00 0.00 0.00 0.00 61.98 59.05 2wgq s VAL 367 Cb -0.04 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 2wgq s VAL 367 CO 0.02 -1.09 0.39 -2.16 0.00 0.00 0.00 175.10 172.26 2wgq s PRO 368 N -0.04 3.57 0.29 2.72 0.04 -1.25 -1.39 135.00 138.93 2wgq s PRO 368 Ca 0.26 -0.19 0.09 0.00 0.04 0.00 0.00 61.00 61.20 2wgq s PRO 368 Cb -0.07 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 2wgq s PRO 368 CO -0.12 0.43 0.05 0.71 0.04 0.00 0.00 177.00 178.10 2wgq s TYR 369 N -1.77 2.72 -1.71 0.56 1.51 -0.92 -2.20 117.35 115.54 2wgq s TYR 369 Ca 0.40 -0.26 0.22 0.00 -1.01 0.00 0.00 57.07 56.42 2wgq s TYR 369 Cb -0.12 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 2wgq s TYR 369 CO 0.27 0.54 1.06 0.41 -1.11 0.00 0.00 175.55 176.72 2wgq n GLY 370 N -0.98 -0.31 3.77 0.71 0.00 -0.33 -4.95 105.19 103.09 2wgq n GLY 370 Ca -0.06 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.64 6.80 0.17 1.61 -1.08 -1.26 -4.99 116.67 115.28 2wgq s ASP 371 Ca 0.16 0.95 0.23 0.00 -0.52 0.00 0.00 52.55 53.36 2wgq s ASP 371 Cb 0.18 -2.29 0.10 0.00 -1.46 0.00 0.00 42.92 39.45 2wgq s ASP 371 CO 0.66 0.15 1.12 1.55 0.52 0.00 0.00 175.17 179.17 2wgq h PRO 372 N 5.70 0.00 -6.95 4.34 0.13 -1.92 -3.03 132.00 130.27 2wgq h PRO 372 Ca -0.46 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.24 2wgq h PRO 372 Cb 1.20 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.55 2wgq h PRO 372 CO 0.69 0.00 -0.37 -0.25 -0.23 0.00 0.00 178.00 177.84 2wgq n ASP 373 N -2.48 -2.21 -0.29 1.44 9.92 -1.26 -4.21 116.55 117.46 2wgq n ASP 373 Ca 0.01 -0.23 0.11 0.00 -0.53 0.00 0.00 54.79 54.15 2wgq n ASP 373 Cb 0.51 -1.13 0.27 0.00 -0.64 0.00 0.00 41.12 40.13 2wgq n ASP 373 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2wgq h ILE 374 N -2.62 0.52 -0.36 0.53 6.09 -1.97 -0.52 117.51 119.19 2wgq h ILE 374 Ca -0.59 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.76 2wgq h ILE 374 Cb 1.34 0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.70 2wgq h ILE 374 CO 0.45 0.08 0.00 0.61 -3.07 0.00 0.00 178.15 176.21 2wgq n GLY 375 N -1.34 1.50 0.00 8.18 0.00 -1.26 -4.43 105.19 107.85 2wgq n GLY 375 Ca 0.20 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 1.31 0.00 0.29 1.61 7.02 -0.31 -4.79 117.44 122.58 2wgq n TRP 376 Ca 0.19 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.85 2wgq n TRP 376 Cb 0.56 0.00 0.97 0.00 -2.42 0.00 0.00 31.31 30.42 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 0.00 0.00 -5.99 -0.00 -1.14 0.13 116.97 109.96 2wgq h TYR 377 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2wgq h TYR 377 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.62 2wgq h TYR 377 CO 0.00 0.00 -0.88 1.97 -0.00 0.00 0.00 178.16 179.25 2wgq n PHE 378 N -3.28 0.00 -1.69 0.10 -1.74 -1.26 -4.96 117.46 104.62 2wgq n PHE 378 Ca -0.01 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.47 2wgq n PHE 378 Cb 0.24 -0.05 -0.03 0.00 1.52 0.00 0.00 39.48 41.16 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 -2.57 2.78 -0.23 3.97 2.20 0.45 -4.70 119.74 121.63 2wgq s LYS 379 Ca 0.04 1.61 -0.05 0.00 -0.36 0.00 0.00 55.97 57.21 2wgq s LYS 379 Cb 0.12 -4.42 0.12 0.00 -1.51 0.00 0.00 37.83 32.14 2wgq s LYS 379 CO 0.65 -2.51 0.44 0.00 -0.36 0.00 0.00 175.35 173.57 2wgq s ALA 380 N 9.44 -1.33 -0.45 3.13 0.00 -1.26 -2.17 121.76 129.12 2wgq s ALA 380 Ca 0.93 1.38 -0.23 0.00 0.00 0.00 0.00 51.96 54.04 2wgq s ALA 380 Cb -0.24 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.31 2wgq s ALA 380 CO 0.31 -1.03 0.80 0.71 0.00 0.00 0.00 175.76 176.55 2wgq s TYR 381 N 2.64 2.99 -1.08 0.00 2.02 -0.49 -4.82 117.35 118.60 2wgq s TYR 381 Ca 0.06 0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.82 2wgq s TYR 381 Cb -0.14 -3.69 0.21 0.00 -0.40 0.00 0.00 41.96 37.94 2wgq s TYR 381 CO -0.15 -0.99 1.19 -0.51 -1.57 0.00 0.00 175.55 173.51 2wgq s LEU 382 N 3.34 5.72 0.09 -1.29 1.43 -1.26 -0.26 118.68 126.45 2wgq s LEU 382 Ca 0.31 -3.02 -0.22 0.00 -1.03 0.00 0.00 54.13 50.16 2wgq s LEU 382 Cb -0.12 -2.31 -0.13 0.00 0.03 0.00 0.00 46.19 43.66 2wgq s LEU 382 CO 0.23 -0.61 1.70 0.44 0.23 0.00 0.00 176.35 178.34 2wgq h ASP 383 N 7.32 0.08 0.50 2.29 3.32 -1.93 0.66 116.42 128.67 2wgq h ASP 383 Ca 0.22 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2wgq h ASP 383 Cb 0.92 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2wgq h ASP 383 CO 1.08 0.11 -0.24 0.77 -1.72 0.00 0.00 179.24 179.24 2wgq h SER 384 N 0.04 -0.57 -0.23 6.45 4.64 -1.83 -0.64 113.55 121.40 2wgq h SER 384 Ca 0.02 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2wgq h SER 384 Cb 0.05 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2wgq h SER 384 CO -0.00 -0.19 0.14 1.23 -0.87 0.00 0.00 176.83 177.14 2wgq h GLY 385 N -1.04 0.34 1.76 -0.77 0.00 -1.82 -0.70 103.07 100.83 2wgq h GLY 385 Ca -0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 2wgq h GLY 385 CO 0.11 0.13 -0.42 -0.55 0.00 0.00 0.00 176.54 175.81 2wgq h ASP 386 N 0.30 0.00 0.00 0.19 3.32 0.23 -3.42 116.42 117.03 2wgq h ASP 386 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wgq h ASP 386 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2wgq h ASP 386 CO -0.02 0.20 -0.88 -1.22 -1.72 0.00 0.00 179.24 175.60 2wgq n TYR 387 N -3.05 0.00 -1.12 4.55 4.02 -0.29 -1.51 117.16 119.75 2wgq n TYR 387 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2wgq n TYR 387 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.94 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 2.38 -0.20 0.36 2.72 0.00 -0.27 -4.80 105.19 105.38 2wgq n GLY 388 Ca 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.71 0.15 1.61 2.86 -1.54 -0.46 114.93 118.26 2wgq h MET 389 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2wgq h MET 389 Cb 0.32 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2wgq h MET 389 CO 0.00 0.47 -0.07 0.78 1.06 0.00 0.00 176.91 179.15 2wgq h GLY 390 N 0.74 -0.21 1.15 8.32 0.00 -1.07 -1.83 103.07 110.17 2wgq h GLY 390 Ca 0.38 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.84 2wgq h GLY 390 CO -0.15 -0.08 0.45 -0.84 0.00 0.00 0.00 176.54 175.92 2wgq h THR 391 N -0.34 1.05 -0.39 4.70 2.02 -0.71 -1.30 112.91 117.95 2wgq h THR 391 Ca -0.02 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2wgq h THR 391 Cb 0.27 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2wgq h THR 391 CO 0.03 0.14 0.00 0.18 0.37 0.00 0.00 175.52 176.24 2wgq n LEU 392 N -4.47 3.76 -4.57 2.58 4.77 -0.21 -4.96 117.00 113.90 2wgq n LEU 392 Ca 0.09 -1.90 -0.49 0.00 -0.03 0.00 0.00 56.01 53.67 2wgq n LEU 392 Cb 0.18 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 2wgq n LEU 392 CO 0.34 0.52 0.68 0.41 -1.33 0.00 0.00 177.39 178.01 2wgq n THR 393 N 0.48 0.86 -3.62 -5.08 -1.04 -0.49 -2.81 114.28 102.58 2wgq n THR 393 Ca 0.17 -0.21 -0.39 0.00 -2.04 0.00 0.00 64.05 61.57 2wgq n THR 393 Cb 0.77 -0.76 -0.11 0.00 -1.82 0.00 0.00 70.33 68.41 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 -0.03 5.68 0.16 8.00 0.01 0.13 -4.85 113.70 122.79 2wgq s SER 394 Ca 0.74 -0.64 -0.34 0.00 1.31 0.00 0.00 55.95 57.02 2wgq s SER 394 Cb -0.88 -2.03 -0.15 0.00 0.21 0.00 0.00 66.02 63.17 2wgq s SER 394 CO 0.52 -0.26 1.42 -2.65 0.41 0.00 0.00 173.24 172.69 2wgq n PRO 395 N 5.01 1.69 -1.66 12.44 -0.02 -1.26 -4.50 135.00 146.70 2wgq n PRO 395 Ca -0.13 0.61 -0.49 0.00 -2.02 0.00 0.00 63.50 61.47 2wgq n PRO 395 Cb 0.48 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 2wgq n PRO 395 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wgq n ILE 396 N 2.59 0.17 -2.64 4.25 2.08 0.16 -4.94 119.36 121.02 2wgq n ILE 396 Ca 0.16 -0.03 -0.42 0.00 0.56 0.00 0.00 62.75 63.02 2wgq n ILE 396 Cb 0.26 -1.46 -0.03 0.00 -0.75 0.00 0.00 39.64 37.66 2wgq n ILE 396 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wgq s ALA 397 N 1.82 2.95 0.09 -1.39 0.00 -1.26 -4.93 121.76 119.03 2wgq s ALA 397 Ca 0.85 -1.17 -0.37 0.00 0.00 0.00 0.00 51.96 51.27 2wgq s ALA 397 Cb -0.77 -4.05 -0.17 0.00 0.00 0.00 0.00 23.12 18.14 2wgq s ALA 397 CO 0.45 -2.84 1.33 -2.13 0.00 0.00 0.00 175.76 172.57 2wgq n ARG 398 N 8.54 1.12 0.00 0.00 0.63 -1.26 -0.86 116.66 124.83 2wgq n ARG 398 Ca 0.04 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 2wgq n ARG 398 Cb 0.48 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.35 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 2.48 2.85 0.52 5.14 0.00 -0.80 -4.70 105.19 110.68 2wgq n GLY 399 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.98 0.31 0.19 1.61 5.02 -0.04 -4.41 118.16 118.86 2wgq n LYS 400 Ca 0.00 0.13 0.07 0.00 -2.02 0.00 0.00 58.31 56.48 2wgq n LYS 400 Cb 0.00 -1.03 0.31 0.00 -0.02 0.00 0.00 35.03 34.29 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 -0.55 0.00 -4.72 4.39 3.32 -1.43 -3.44 116.42 113.97 2wgq h ASP 401 Ca -0.15 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.68 2wgq h ASP 401 Cb 0.85 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.24 2wgq h ASP 401 CO -0.09 0.34 -0.70 0.00 -1.72 0.00 0.00 179.24 177.06 2wgq s ALA 402 N -3.46 0.81 0.84 3.45 0.00 -1.26 -4.97 121.76 117.16 2wgq s ALA 402 Ca 0.01 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 2wgq s ALA 402 Cb 0.10 0.15 0.10 0.00 0.00 0.00 0.00 23.12 23.46 2wgq s ALA 402 CO 0.68 -0.20 1.10 -1.25 0.00 0.00 0.00 175.76 176.09 2wgq s PRO 403 N -3.28 1.71 0.08 0.00 0.04 -1.26 -1.91 135.00 130.38 2wgq s PRO 403 Ca 0.06 1.17 0.05 0.00 0.04 0.00 0.00 61.00 62.32 2wgq s PRO 403 Cb 0.02 -1.83 0.29 0.00 0.04 0.00 0.00 34.50 33.01 2wgq s PRO 403 CO -0.04 -2.03 1.16 -1.13 0.04 0.00 0.00 177.00 175.00 2wgq n SER 404 N -3.79 0.14 -1.08 6.66 3.41 -1.26 -0.62 113.62 117.08 2wgq n SER 404 Ca 0.09 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 2wgq n SER 404 Cb 0.53 -0.58 0.17 0.00 -0.26 0.00 0.00 64.21 64.07 2wgq n SER 404 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wgq n ASN 405 N -1.68 3.28 -4.66 4.04 6.94 -1.24 -4.84 115.26 117.09 2wgq n ASN 405 Ca -0.00 -2.00 -0.30 0.00 -0.02 0.00 0.00 54.58 52.26 2wgq n ASN 405 Cb 0.01 -0.15 0.17 0.00 -2.36 0.00 0.00 39.78 37.45 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 -1.70 1.10 -0.09 -2.53 0.00 0.21 -4.80 121.76 113.95 2wgq s ALA 406 Ca 0.35 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.42 2wgq s ALA 406 Cb 0.22 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2wgq s ALA 406 CO 0.31 -2.75 -0.22 0.08 0.00 0.00 0.00 175.76 173.18 2wgq s VAL 407 N -2.77 1.89 -0.08 0.00 1.01 0.84 -4.44 120.40 116.85 2wgq s VAL 407 Ca 0.65 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 2wgq s VAL 407 Cb -0.21 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2wgq s VAL 407 CO 0.59 0.52 -0.04 -0.76 0.00 0.00 0.00 175.10 175.41 2wgq s LEU 408 N 0.32 3.33 0.05 3.92 1.43 -1.26 0.38 118.68 126.85 2wgq s LEU 408 Ca -0.16 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.06 2wgq s LEU 408 Cb -0.17 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2wgq s LEU 408 CO 0.07 0.37 -0.19 -0.76 0.23 0.00 0.00 176.35 176.07 2wgq s LEU 409 N -0.83 2.56 0.03 1.79 1.43 0.19 -4.85 118.68 119.01 2wgq s LEU 409 Ca 0.13 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 2wgq s LEU 409 Cb -0.11 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 2wgq s LEU 409 CO 0.02 0.25 0.40 0.20 0.23 0.00 0.00 176.35 177.44 2wgq s ASN 410 N -1.50 6.72 -0.03 2.29 0.01 -1.26 0.14 114.94 121.31 2wgq s ASN 410 Ca 0.15 0.87 0.02 0.00 -0.71 0.00 0.00 52.86 53.19 2wgq s ASN 410 Cb -0.10 -2.21 0.01 0.00 0.41 0.00 0.00 41.25 39.35 2wgq s ASN 410 CO 0.05 0.26 -0.08 -1.61 -1.51 0.00 0.00 177.10 174.21 2wgq s GLU 411 N -1.44 0.95 -0.17 -0.60 0.41 -0.96 -4.91 118.70 111.98 2wgq s GLU 411 Ca 0.27 -0.28 -0.06 0.00 -0.41 0.00 0.00 54.97 54.49 2wgq s GLU 411 Cb -0.15 -0.89 -0.03 0.00 -1.78 0.00 0.00 34.13 31.27 2wgq s GLU 411 CO 0.15 0.09 0.02 0.99 -0.49 0.00 0.00 175.26 176.02 2wgq s THR 412 N 0.28 4.39 0.38 3.63 2.01 -1.26 -0.16 115.64 124.91 2wgq s THR 412 Ca -0.04 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.83 2wgq s THR 412 Cb -0.09 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 2wgq s THR 412 CO 0.01 0.47 0.17 2.30 -0.69 0.00 0.00 174.62 176.88 2wgq n ILE 413 N 3.58 0.00 -3.71 1.82 -5.35 -0.35 -4.90 119.36 110.45 2wgq n ILE 413 Ca -0.17 -2.33 -0.36 0.00 -0.27 0.00 0.00 62.75 59.63 2wgq n ILE 413 Cb 0.52 0.91 -0.07 0.00 -1.74 0.00 0.00 39.64 39.26 2wgq n ILE 413 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wgq s ALA 414 N -3.13 3.71 1.07 -1.28 0.00 -1.26 0.76 121.76 121.64 2wgq s ALA 414 Ca 0.24 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.51 2wgq s ALA 414 Cb 0.01 -2.18 0.14 0.00 0.00 0.00 0.00 23.12 21.09 2wgq s ALA 414 CO 0.17 0.27 0.63 -0.40 0.00 0.00 0.00 175.76 176.43 2wgq n ASP 415 N 3.07 -0.83 0.08 0.00 5.68 0.39 -4.85 116.55 120.08 2wgq n ASP 415 Ca -0.16 -1.03 0.13 0.00 -0.50 0.00 0.00 54.79 53.23 2wgq n ASP 415 Cb 0.53 -0.53 0.47 0.00 -1.14 0.00 0.00 41.12 40.45 2wgq n ASP 415 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wgq n TYR 416 N -3.38 0.61 -0.15 2.11 4.11 -1.26 -1.87 117.16 117.33 2wgq n TYR 416 Ca 0.08 0.19 0.10 0.00 -0.00 0.00 0.00 57.90 58.27 2wgq n TYR 416 Cb 0.30 -0.81 0.30 0.00 -0.00 0.00 0.00 39.34 39.13 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 -2.01 1.10 -0.80 -3.48 -2.24 -1.26 0.25 114.28 105.83 2wgq n THR 417 Ca 0.05 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2wgq n THR 417 Cb 0.36 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.39 0.79 3.76 3.38 0.00 -0.78 -4.91 105.19 108.81 2wgq n GLY 418 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.01 5.00 0.40 1.61 1.01 -1.26 -4.63 120.40 119.53 2wgq s VAL 419 Ca 0.00 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.84 2wgq s VAL 419 Cb 0.00 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 2wgq s VAL 419 CO 0.00 0.41 1.41 -2.84 0.00 0.00 0.00 175.10 174.08 2wgq s PRO 420 N -0.05 3.95 -0.06 2.72 0.02 -1.26 -0.46 135.00 139.86 2wgq s PRO 420 Ca 0.29 2.40 0.05 0.00 0.02 0.00 0.00 61.00 63.75 2wgq s PRO 420 Cb -0.17 -2.82 -0.00 0.00 0.02 0.00 0.00 34.50 31.52 2wgq s PRO 420 CO 0.15 -0.59 -0.21 0.00 -0.33 0.00 0.00 177.00 176.02 2wgq s MET 421 N -2.22 2.34 -0.26 5.54 0.23 0.23 -4.78 119.30 120.39 2wgq s MET 421 Ca 0.56 -0.75 -0.15 0.00 -1.03 0.00 0.00 55.69 54.32 2wgq s MET 421 Cb -0.43 -1.92 -0.04 0.00 -1.53 0.00 0.00 34.83 30.91 2wgq s MET 421 CO 0.57 0.25 0.36 -2.00 -2.03 0.00 0.00 175.02 172.16 2wgq s GLU 422 N 0.12 4.05 -0.46 3.16 2.12 -1.26 -1.21 118.70 125.21 2wgq s GLU 422 Ca -0.09 0.04 -0.18 0.00 0.36 0.00 0.00 54.97 55.10 2wgq s GLU 422 Cb -0.14 -3.63 0.04 0.00 0.26 0.00 0.00 34.13 30.66 2wgq s GLU 422 CO 0.05 -0.21 0.54 0.42 -0.54 0.00 0.00 175.26 175.52 2wgq s ILE 423 N 1.86 4.97 0.30 -3.70 1.01 0.77 -4.96 121.20 121.46 2wgq s ILE 423 Ca 0.15 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 2wgq s ILE 423 Cb -0.15 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 2wgq s ILE 423 CO 0.09 -0.62 1.15 -2.16 0.00 0.00 0.00 174.94 173.40 2wgq s PRO 424 N 2.41 4.53 -1.35 2.79 0.04 -1.26 -2.26 135.00 139.89 2wgq s PRO 424 Ca 0.14 1.90 -0.08 0.00 0.04 0.00 0.00 61.00 63.00 2wgq s PRO 424 Cb -0.18 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.26 2wgq s PRO 424 CO 0.13 0.08 1.11 0.54 0.04 0.00 0.00 177.00 178.91 2wgq n ARG 425 N 1.01 -7.35 -0.09 4.56 1.74 -1.02 -4.40 116.66 111.12 2wgq n ARG 425 Ca -0.00 0.80 -0.07 0.00 -0.77 0.00 0.00 57.85 57.80 2wgq n ARG 425 Cb 0.44 -5.81 0.11 0.00 -1.02 0.00 0.00 32.46 26.18 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 0.99 0.93 -3.73 7.54 0.00 0.12 0.48 119.26 125.58 2wgq h ALA 426 Ca -0.58 -0.35 -0.32 0.00 0.00 0.00 0.00 54.91 53.67 2wgq h ALA 426 Cb 1.37 -0.16 -0.30 0.00 0.00 0.00 0.00 17.79 18.69 2wgq h ALA 426 CO 0.56 0.62 -0.75 0.42 0.00 0.00 0.00 179.25 180.10 2wgq s ILE 427 N -4.67 0.27 -0.15 0.00 1.01 -1.11 -4.43 121.20 112.12 2wgq s ILE 427 Ca -0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 2wgq s ILE 427 Cb 0.13 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.30 2wgq s ILE 427 CO 0.83 0.11 0.04 0.00 0.00 0.00 0.00 174.94 175.92 2wgq s ALA 428 N 0.28 3.37 -0.11 9.38 0.00 0.11 0.55 121.76 135.34 2wgq s ALA 428 Ca -0.03 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2wgq s ALA 428 Cb -0.06 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 2wgq s ALA 428 CO -0.01 0.32 -0.20 0.08 0.00 0.00 0.00 175.76 175.96 2wgq s VAL 429 N -0.07 2.41 -0.01 0.00 1.01 0.16 -0.34 120.40 123.57 2wgq s VAL 429 Ca 0.05 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 2wgq s VAL 429 Cb -0.12 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.36 2wgq s VAL 429 CO 0.01 0.55 0.58 0.72 0.00 0.00 0.00 175.10 176.97 2wgq s PHE 430 N 0.34 -0.53 0.07 5.22 -0.71 -0.62 -0.11 117.98 121.64 2wgq s PHE 430 Ca -0.16 0.80 -0.05 0.00 -1.04 0.00 0.00 56.93 56.48 2wgq s PHE 430 Cb -0.17 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 41.95 2wgq s PHE 430 CO 0.08 -0.60 0.30 -2.00 -1.34 0.00 0.00 175.22 171.65 2wgq s GLU 431 N -1.67 3.57 0.05 1.99 2.12 -1.26 -0.30 118.70 123.20 2wgq s GLU 431 Ca -0.09 -0.15 -0.09 0.00 0.36 0.00 0.00 54.97 55.00 2wgq s GLU 431 Cb -0.01 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.39 2wgq s GLU 431 CO 0.05 0.57 0.19 -0.98 -0.54 0.00 0.00 175.26 174.55 2wgq s ARG 432 N -2.23 0.73 -0.18 4.30 1.70 0.12 -4.96 118.95 118.43 2wgq s ARG 432 Ca 0.34 -0.74 -0.29 0.00 -0.47 0.00 0.00 55.73 54.57 2wgq s ARG 432 Cb -0.13 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 2wgq s ARG 432 CO 0.22 -0.21 1.42 -0.47 -1.08 0.00 0.00 175.30 175.17 2wgq s TYR 433 N -2.94 2.49 -0.43 5.89 5.04 -1.26 -0.91 117.35 125.22 2wgq s TYR 433 Ca -0.02 0.72 0.04 0.00 -2.44 0.00 0.00 57.07 55.37 2wgq s TYR 433 Cb 0.01 -3.76 0.44 0.00 0.35 0.00 0.00 41.96 39.00 2wgq s TYR 433 CO -0.06 -2.40 1.39 0.00 -1.34 0.00 0.00 175.55 173.14 2wgq n ALA 434 N 7.27 5.39 -0.05 3.97 0.00 0.16 -4.94 120.51 132.31 2wgq n ALA 434 Ca 0.16 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.75 2wgq n ALA 434 Cb 0.45 -0.75 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.70 -2.13 3.71 0.00 0.00 -1.26 -4.68 105.19 100.13 2wgq n GLY 435 Ca 0.47 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.39 4.26 0.16 1.61 0.04 -1.26 0.53 135.00 139.95 2wgq s PRO 436 Ca 0.00 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.15 2wgq s PRO 436 Cb 0.00 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.36 2wgq s PRO 436 CO 0.00 -0.55 1.69 1.49 0.04 0.00 0.00 177.00 179.67 2wgq h GLU 437 N 6.90 0.83 -3.03 4.56 4.57 0.09 -3.41 114.58 125.08 2wgq h GLU 437 Ca -0.42 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 57.56 2wgq h GLU 437 Cb 1.21 -0.12 -0.12 0.00 -0.16 0.00 0.00 28.75 29.56 2wgq h GLU 437 CO 0.90 0.76 0.19 1.52 -1.18 0.00 0.00 179.01 181.19 2wgq s TYR 438 N -5.41 -0.49 -0.16 0.92 -0.85 -1.24 -4.94 117.35 105.18 2wgq s TYR 438 Ca -0.13 0.26 -0.15 0.00 -0.52 0.00 0.00 57.07 56.54 2wgq s TYR 438 Cb 0.12 0.54 0.04 0.00 0.38 0.00 0.00 41.96 43.04 2wgq s TYR 438 CO 0.79 -0.86 0.43 0.21 -1.52 0.00 0.00 175.55 174.61 2wgq s LYS 439 N -3.76 0.50 -0.12 -3.49 2.20 -1.26 -2.42 119.74 111.39 2wgq s LYS 439 Ca 0.02 0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 56.20 2wgq s LYS 439 Cb -0.01 0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.59 2wgq s LYS 439 CO -0.12 -0.06 0.08 -1.58 -0.36 0.00 0.00 175.35 173.31 2wgq s HIS 440 N 0.28 0.12 -0.90 4.03 2.46 -0.62 -5.01 115.29 115.65 2wgq s HIS 440 Ca -0.00 -0.06 -0.15 0.00 0.47 0.00 0.00 55.06 55.31 2wgq s HIS 440 Cb -0.03 -0.59 0.19 0.00 -0.13 0.00 0.00 32.58 32.02 2wgq s HIS 440 CO -0.00 -0.39 0.94 -1.14 -2.47 0.00 0.00 174.74 171.69 2wgq s GLN 441 N 2.16 3.68 0.47 2.88 2.00 -1.26 -1.79 119.66 127.79 2wgq s GLN 441 Ca 0.03 -2.31 -0.23 0.00 -2.00 0.00 0.00 55.36 50.85 2wgq s GLN 441 Cb -0.14 -4.63 -0.07 0.00 0.80 0.00 0.00 33.01 28.97 2wgq s GLN 441 CO -0.07 -1.46 1.20 -2.00 -0.50 0.00 0.00 175.29 172.46 2wgq s GLU 442 N 0.91 3.69 0.29 1.67 2.56 -1.26 -4.95 118.70 121.60 2wgq s GLU 442 Ca 0.25 1.86 -0.29 0.00 0.00 0.00 0.00 54.97 56.79 2wgq s GLU 442 Cb -0.08 -2.41 -0.10 0.00 2.00 0.00 0.00 34.13 33.54 2wgq s GLU 442 CO -0.09 -0.63 1.27 1.41 -0.56 0.00 0.00 175.26 176.66 2wgq s MET 443 N -2.69 4.42 -1.04 4.30 -2.45 -1.26 -2.50 119.30 118.07 2wgq s MET 443 Ca 0.64 2.10 0.00 0.00 -1.25 0.00 0.00 55.69 57.18 2wgq s MET 443 Cb -0.31 -3.12 0.00 0.00 1.25 0.00 0.00 34.83 32.65 2wgq s MET 443 CO 0.37 -0.13 0.00 0.41 1.05 0.00 0.00 175.02 176.72 2wgq n GLY 444 N 1.28 0.94 3.54 2.11 0.00 -1.26 -4.97 105.19 106.82 2wgq n GLY 444 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.70 1.84 0.17 1.61 -1.52 -1.04 -5.11 119.66 112.91 2wgq s GLN 445 Ca 0.00 -1.81 -0.32 0.00 -1.95 0.00 0.00 55.36 51.29 2wgq s GLN 445 Cb 0.00 -1.80 -0.11 0.00 -0.22 0.00 0.00 33.01 30.88 2wgq s GLN 445 CO 0.00 0.23 1.66 -2.14 -0.25 0.00 0.00 175.29 174.79 2wgq s PRO 446 N -3.59 4.17 0.84 2.91 0.02 -1.26 -4.73 135.00 133.35 2wgq s PRO 446 Ca 0.32 2.48 -0.12 0.00 0.02 0.00 0.00 61.00 63.70 2wgq s PRO 446 Cb -0.01 -3.21 0.10 0.00 0.02 0.00 0.00 34.50 31.39 2wgq s PRO 446 CO 0.17 -0.70 1.16 1.21 -0.33 0.00 0.00 177.00 178.51 2wgq s ASN 447 N 1.45 3.52 -0.11 2.53 3.84 -1.26 -4.75 114.94 120.15 2wgq s ASN 447 Ca 0.73 2.20 0.01 0.00 0.21 0.00 0.00 52.86 56.01 2wgq s ASN 447 Cb -0.46 -2.57 0.02 0.00 -0.55 0.00 0.00 41.25 37.69 2wgq s ASN 447 CO 0.32 -2.71 -0.12 -0.69 -2.79 0.00 0.00 177.10 171.11 2wgq s VAL 448 N -2.46 1.32 -0.02 -5.21 1.01 -0.74 -5.01 120.40 109.29 2wgq s VAL 448 Ca 0.69 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 2wgq s VAL 448 Cb -0.24 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2wgq s VAL 448 CO 0.54 0.41 0.08 -0.44 0.00 0.00 0.00 175.10 175.69 2wgq s SER 449 N 1.29 -0.01 0.06 3.32 0.01 -1.26 -1.59 113.70 115.51 2wgq s SER 449 Ca -0.01 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.26 2wgq s SER 449 Cb -0.14 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 2wgq s SER 449 CO -0.05 -0.15 -0.10 0.42 0.41 0.00 0.00 173.24 173.76 2wgq s THR 450 N -0.53 0.76 0.03 1.44 -4.23 -1.01 -5.01 115.64 107.08 2wgq s THR 450 Ca -0.06 -1.21 -0.21 0.00 -1.18 0.00 0.00 61.69 59.03 2wgq s THR 450 Cb -0.04 -0.83 -0.06 0.00 1.34 0.00 0.00 72.50 72.91 2wgq s THR 450 CO 0.00 -0.35 0.64 -1.83 -0.54 0.00 0.00 174.62 172.54 2wgq s GLU 451 N -1.75 4.35 0.07 3.99 -1.05 -1.26 0.72 118.70 123.76 2wgq s GLU 451 Ca -0.06 0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 55.29 2wgq s GLU 451 Cb -0.09 -3.32 -0.05 0.00 -0.44 0.00 0.00 34.13 30.23 2wgq s GLU 451 CO 0.01 0.43 0.97 0.50 0.95 0.00 0.00 175.26 178.12 2wgq s ARG 452 N -0.44 4.64 -0.06 -4.83 3.52 0.19 -4.39 118.95 117.58 2wgq s ARG 452 Ca 0.32 1.45 0.05 0.00 -0.13 0.00 0.00 55.73 57.42 2wgq s ARG 452 Cb -0.19 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 2wgq s ARG 452 CO 0.19 0.10 -0.19 1.03 -0.81 0.00 0.00 175.30 175.62 2wgq s ARG 453 N 0.42 2.55 0.08 5.12 1.81 -1.26 -0.67 118.95 127.01 2wgq s ARG 453 Ca 0.49 -0.80 0.09 0.00 -1.72 0.00 0.00 55.73 53.79 2wgq s ARG 453 Cb -0.23 -2.28 -0.03 0.00 -0.45 0.00 0.00 34.95 31.96 2wgq s ARG 453 CO 0.29 0.49 -0.23 -1.21 -0.68 0.00 0.00 175.30 173.96 2wgq s GLU 454 N -0.41 1.42 -0.15 3.54 2.02 -0.09 -3.59 118.70 121.46 2wgq s GLU 454 Ca 0.04 -1.12 -0.04 0.00 0.02 0.00 0.00 54.97 53.86 2wgq s GLU 454 Cb -0.12 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 2wgq s GLU 454 CO 0.02 0.41 -0.00 -1.17 0.02 0.00 0.00 175.26 174.54 2wgq s LEU 455 N -1.56 3.49 -0.04 1.80 2.96 -0.78 0.14 118.68 124.68 2wgq s LEU 455 Ca 0.10 -0.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 2wgq s LEU 455 Cb -0.10 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2wgq s LEU 455 CO 0.03 0.22 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.35 2wgq s VAL 456 N 0.05 1.97 -0.26 1.68 1.01 0.58 -0.78 120.40 124.66 2wgq s VAL 456 Ca 0.02 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 2wgq s VAL 456 Cb -0.13 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.61 2wgq s VAL 456 CO 0.02 0.55 -0.02 -0.69 0.00 0.00 0.00 175.10 174.96 2wgq s VAL 457 N -0.28 3.21 -0.10 2.92 1.01 0.34 -1.59 120.40 125.90 2wgq s VAL 457 Ca 0.01 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.14 2wgq s VAL 457 Cb -0.12 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 2wgq s VAL 457 CO 0.02 0.19 -0.23 -0.60 0.00 0.00 0.00 175.10 174.48 2wgq s ARG 458 N 1.39 3.02 -0.02 2.72 3.52 0.54 -0.04 118.95 130.08 2wgq s ARG 458 Ca 0.01 -0.87 0.03 0.00 -0.13 0.00 0.00 55.73 54.77 2wgq s ARG 458 Cb -0.17 -2.31 -0.00 0.00 -1.56 0.00 0.00 34.95 30.92 2wgq s ARG 458 CO -0.03 0.20 -0.09 -0.46 -0.81 0.00 0.00 175.30 174.12 2wgq s TRP 459 N 0.29 0.89 -0.06 5.12 -0.00 -0.35 0.08 118.94 124.90 2wgq s TRP 459 Ca -0.17 -0.20 0.05 0.00 -0.00 0.00 0.00 56.10 55.77 2wgq s TRP 459 Cb -0.17 -0.62 -0.00 0.00 -0.00 0.00 0.00 33.47 32.68 2wgq s TRP 459 CO 0.08 -0.07 -0.20 0.42 -0.00 0.00 0.00 176.95 177.18 2wgq s ILE 460 N 0.05 1.71 -0.02 5.86 1.01 -1.26 -0.29 121.20 128.25 2wgq s ILE 460 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2wgq s ILE 460 Cb -0.07 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.95 2wgq s ILE 460 CO 0.00 0.48 -0.05 -0.55 0.00 0.00 0.00 174.94 174.82 2wgq s SER 461 N 0.10 0.77 -0.12 3.58 0.15 -0.32 -0.70 113.70 117.16 2wgq s SER 461 Ca -0.08 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.48 2wgq s SER 461 Cb -0.14 -0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 63.92 2wgq s SER 461 CO 0.04 0.01 -0.18 -0.89 1.20 0.00 0.00 173.24 173.41 2wgq s THR 462 N 0.40 2.54 -0.48 6.45 2.01 -1.12 -1.13 115.64 124.30 2wgq s THR 462 Ca -0.05 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.14 2wgq s THR 462 Cb -0.09 -2.03 0.13 0.00 0.01 0.00 0.00 72.50 70.53 2wgq s THR 462 CO -0.00 0.54 0.25 -0.69 -0.69 0.00 0.00 174.62 174.02 2wgq s VAL 463 N 0.44 1.94 0.00 3.82 1.01 -0.37 -4.83 120.40 122.42 2wgq s VAL 463 Ca -0.13 -2.91 0.00 0.00 0.00 0.00 0.00 61.98 58.94 2wgq s VAL 463 Cb -0.17 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2wgq s VAL 463 CO 0.06 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.92 2wgq n GLY 464 N 3.34 1.42 0.09 4.51 0.00 -1.26 -3.87 105.19 109.42 2wgq n GLY 464 Ca 0.07 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 10.27 0.94 -4.87 1.61 2.04 -1.26 -4.90 115.26 119.09 2wgq n ASN 465 Ca 0.00 0.38 -0.37 0.00 -0.44 0.00 0.00 54.58 54.15 2wgq n ASN 465 Cb 0.00 -0.08 -0.06 0.00 -2.53 0.00 0.00 39.78 37.11 2wgq n ASN 465 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 2wgq s TYR 466 N -2.59 3.63 -0.13 -2.53 4.12 -1.25 -0.09 117.35 118.51 2wgq s TYR 466 Ca -0.07 0.64 -0.00 0.00 0.02 0.00 0.00 57.07 57.66 2wgq s TYR 466 Cb 0.08 -2.03 -0.01 0.00 -1.52 0.00 0.00 41.96 38.48 2wgq s TYR 466 CO 0.82 0.69 -0.13 -0.51 0.02 0.00 0.00 175.55 176.44 2wgq s ASP 467 N -1.18 4.00 0.03 2.29 1.11 -0.15 -1.23 116.67 121.53 2wgq s ASP 467 Ca 0.19 -0.34 0.09 0.00 0.18 0.00 0.00 52.55 52.67 2wgq s ASP 467 Cb -0.13 -1.61 -0.03 0.00 1.07 0.00 0.00 42.92 42.22 2wgq s ASP 467 CO 0.09 0.15 -0.26 -0.31 1.18 0.00 0.00 175.17 176.02 2wgq s TYR 468 N 0.42 2.28 -0.07 4.23 2.02 -0.29 0.38 117.35 126.32 2wgq s TYR 468 Ca -0.10 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.23 2wgq s TYR 468 Cb -0.16 -1.39 -0.00 0.00 -0.40 0.00 0.00 41.96 40.01 2wgq s TYR 468 CO 0.05 0.08 -0.22 0.42 -1.57 0.00 0.00 175.55 174.32 2wgq s ILE 469 N -0.76 1.84 -0.13 2.71 1.01 0.77 -1.17 121.20 125.47 2wgq s ILE 469 Ca 0.11 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2wgq s ILE 469 Cb -0.10 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.79 2wgq s ILE 469 CO 0.01 0.51 -0.21 -0.36 0.00 0.00 0.00 174.94 174.89 2wgq s PHE 470 N 0.17 2.66 -0.21 3.97 0.40 0.60 -0.11 117.98 125.46 2wgq s PHE 470 Ca -0.11 -1.23 -0.06 0.00 -0.60 0.00 0.00 56.93 54.93 2wgq s PHE 470 Cb -0.15 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 2wgq s PHE 470 CO 0.06 -0.54 0.04 -0.51 0.70 0.00 0.00 175.22 174.96 2wgq s ASP 471 N 0.70 5.11 -0.30 1.36 1.01 -0.31 -1.21 116.67 123.02 2wgq s ASP 471 Ca -0.10 -0.14 -0.10 0.00 0.71 0.00 0.00 52.55 52.92 2wgq s ASP 471 Cb -0.16 -1.89 -0.02 0.00 1.01 0.00 0.00 42.92 41.86 2wgq s ASP 471 CO 0.01 0.06 0.16 0.26 0.21 0.00 0.00 175.17 175.87 2wgq s TRP 472 N 1.06 3.18 -0.25 4.23 0.52 0.94 -1.76 118.94 126.86 2wgq s TRP 472 Ca 0.03 -0.36 -0.01 0.00 0.02 0.00 0.00 56.10 55.79 2wgq s TRP 472 Cb -0.14 -2.36 0.04 0.00 -1.15 0.00 0.00 33.47 29.85 2wgq s TRP 472 CO 0.02 -0.37 -0.07 0.42 0.02 0.00 0.00 176.95 176.97 2wgq s ILE 473 N 1.66 2.69 -0.25 2.03 1.01 0.59 -0.51 121.20 128.43 2wgq s ILE 473 Ca 0.06 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.42 2wgq s ILE 473 Cb -0.17 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 2wgq s ILE 473 CO 0.07 0.14 0.17 -0.36 0.00 0.00 0.00 174.94 174.97 2wgq s PHE 474 N 1.27 3.30 0.02 3.97 0.40 0.04 0.90 117.98 127.88 2wgq s PHE 474 Ca -0.02 0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.51 2wgq s PHE 474 Cb -0.17 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 2wgq s PHE 474 CO -0.05 0.02 0.21 -1.01 0.70 0.00 0.00 175.22 175.10 2wgq s HIS 475 N 1.19 3.54 0.38 0.36 3.76 0.02 -1.87 115.29 122.67 2wgq s HIS 475 Ca 0.08 0.37 0.08 0.00 -0.15 0.00 0.00 55.06 55.44 2wgq s HIS 475 Cb -0.14 -1.84 0.82 0.00 1.11 0.00 0.00 32.58 32.53 2wgq s HIS 475 CO 0.06 0.62 1.96 0.93 -0.85 0.00 0.00 174.74 177.45 2wgq h GLU 476 N 3.59 0.64 0.00 1.40 5.08 -1.86 -1.52 114.58 121.91 2wgq h GLU 476 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2wgq h GLU 476 Cb 1.18 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2wgq h GLU 476 CO 0.71 0.42 0.00 0.27 -1.00 0.00 0.00 179.01 179.41 2wgq n ASN 477 N -4.48 0.00 0.00 1.42 2.04 -1.26 -4.83 115.26 108.15 2wgq n ASN 477 Ca 0.11 -1.19 0.00 0.00 -0.44 0.00 0.00 54.58 53.05 2wgq n ASN 477 Cb 0.27 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.52 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 0.53 2.57 3.76 4.83 0.00 -0.57 -4.73 105.19 111.59 2wgq n GLY 478 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.60 2.56 -0.08 2.61 2.01 -1.26 -4.34 115.64 114.54 2wgq s THR 479 Ca 0.00 0.47 0.05 0.00 0.31 0.00 0.00 61.69 62.51 2wgq s THR 479 Cb 0.00 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 2wgq s THR 479 CO 0.00 0.04 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.10 2wgq s ILE 480 N -1.33 2.15 0.11 1.82 1.01 0.34 -0.80 121.20 124.49 2wgq s ILE 480 Ca 0.62 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 60.32 2wgq s ILE 480 Cb -0.37 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 2wgq s ILE 480 CO 0.46 0.56 -0.05 -0.83 0.00 0.00 0.00 174.94 175.09 2wgq s GLY 481 N 0.10 1.84 -0.21 6.18 0.00 0.26 -0.90 107.32 114.59 2wgq s GLY 481 Ca -0.11 -1.21 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 2wgq s GLY 481 CO 0.06 -1.20 -0.01 -0.42 0.00 0.00 0.00 173.10 171.53 2wgq s ILE 482 N -1.33 1.03 0.10 0.90 1.01 -0.85 -0.30 121.20 121.77 2wgq s ILE 482 Ca 0.24 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.08 2wgq s ILE 482 Cb -0.11 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2wgq s ILE 482 CO 0.16 -0.12 0.06 -1.81 0.00 0.00 0.00 174.94 173.23 2wgq s ASP 483 N 1.63 5.30 -0.10 3.58 1.01 -0.72 -1.29 116.67 126.08 2wgq s ASP 483 Ca -0.03 -0.11 -0.00 0.00 0.71 0.00 0.00 52.55 53.12 2wgq s ASP 483 Cb -0.18 -1.35 0.02 0.00 1.01 0.00 0.00 42.92 42.43 2wgq s ASP 483 CO -0.07 0.15 -0.07 0.00 0.21 0.00 0.00 175.17 175.38 2wgq s ALA 484 N -1.45 1.24 0.23 5.23 0.00 -0.52 -1.16 121.76 125.33 2wgq s ALA 484 Ca 0.28 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.86 2wgq s ALA 484 Cb -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 2wgq s ALA 484 CO 0.21 -0.34 0.02 0.20 0.00 0.00 0.00 175.76 175.85 2wgq s GLY 485 N 1.57 1.65 -0.02 0.00 0.00 0.85 -0.81 107.32 110.55 2wgq s GLY 485 Ca 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.21 2wgq s GLY 485 CO -0.06 -1.57 0.01 0.00 0.00 0.00 0.00 173.10 171.47 2wgq s ALA 486 N -2.09 0.20 0.00 3.20 0.00 0.13 -0.17 121.76 123.04 2wgq s ALA 486 Ca 0.30 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2wgq s ALA 486 Cb -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2wgq s ALA 486 CO 0.20 -0.06 0.00 -2.37 0.00 0.00 0.00 175.76 173.53 2wgq n THR 487 N 3.95 0.00 -1.32 0.00 5.66 0.16 -1.10 114.28 121.62 2wgq n THR 487 Ca -0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 2wgq n THR 487 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 0.30 3.20 1.09 0.00 -1.24 -0.98 105.19 107.57 2wgq n GLY 488 Ca 0.00 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 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 2.65 0.44 -0.61 -1.09 0.88 0.56 121.20 124.02 2wgq s ILE 489 Ca 0.00 -0.79 -0.24 0.00 -2.23 0.00 0.00 60.65 57.38 2wgq s ILE 489 Cb 0.00 -2.19 -0.08 0.00 -1.58 0.00 0.00 42.46 38.61 2wgq s ILE 489 CO 0.00 0.45 1.26 -1.61 -1.23 0.00 0.00 174.94 173.81 2wgq s GLU 490 N 1.36 3.79 -0.41 2.79 2.02 -1.26 -4.11 118.70 122.87 2wgq s GLU 490 Ca 0.04 2.04 -0.28 0.00 0.02 0.00 0.00 54.97 56.79 2wgq s GLU 490 Cb -0.14 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.49 2wgq s GLU 490 CO -0.08 -0.60 1.84 0.00 0.02 0.00 0.00 175.26 176.44 2wgq s ALA 491 N -1.36 2.62 0.21 5.21 0.00 -1.26 -4.94 121.76 122.24 2wgq s ALA 491 Ca 0.61 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.64 2wgq s ALA 491 Cb -0.35 -4.11 -0.04 0.00 0.00 0.00 0.00 23.12 18.63 2wgq s ALA 491 CO 0.44 -3.05 0.18 0.14 0.00 0.00 0.00 175.76 173.47 2wgq s VAL 492 N 7.72 4.53 -0.13 0.00 -7.23 -1.26 -3.89 120.40 120.14 2wgq s VAL 492 Ca 0.77 -1.20 -0.01 0.00 -1.81 0.00 0.00 61.98 59.73 2wgq s VAL 492 Cb -0.20 -3.38 -0.02 0.00 0.56 0.00 0.00 36.38 33.35 2wgq s VAL 492 CO 0.30 -0.22 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.00 2wgq s LYS 493 N -3.47 3.42 0.01 4.82 2.20 0.43 -4.82 119.74 122.33 2wgq s LYS 493 Ca 0.32 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 2wgq s LYS 493 Cb -0.09 -2.68 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 2wgq s LYS 493 CO 0.24 0.24 1.12 0.20 -0.36 0.00 0.00 175.35 176.79 2wgq s GLY 494 N 0.31 2.51 0.18 5.54 0.00 -1.26 -0.90 107.32 113.70 2wgq s GLY 494 Ca -0.09 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.32 2wgq s GLY 494 CO 0.05 1.95 0.05 -1.34 0.00 0.00 0.00 173.10 173.81 2wgq s VAL 495 N 1.31 0.43 0.20 1.40 -7.23 0.16 -4.78 120.40 111.90 2wgq s VAL 495 Ca 0.55 -1.97 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 2wgq s VAL 495 Cb -0.25 -2.24 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 2wgq s VAL 495 CO 0.27 -0.33 1.47 0.11 -0.31 0.00 0.00 175.10 176.30 2wgq h LYS 496 N 2.67 0.12 -6.83 4.82 1.57 -1.93 -3.39 116.57 113.59 2wgq h LYS 496 Ca -0.36 -0.11 -0.50 0.00 -1.87 0.00 0.00 60.65 57.80 2wgq h LYS 496 Cb 1.22 0.03 0.02 0.00 0.08 0.00 0.00 32.23 33.57 2wgq h LYS 496 CO 0.60 0.82 0.47 0.00 -0.57 0.00 0.00 179.45 180.78 2wgq s ALA 497 N -3.36 3.37 -0.23 3.86 0.00 -1.26 -4.78 121.76 119.36 2wgq s ALA 497 Ca -0.02 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 2wgq s ALA 497 Cb 0.11 -3.32 -0.18 0.00 0.00 0.00 0.00 23.12 19.73 2wgq s ALA 497 CO 0.80 -0.18 -0.10 1.63 0.00 0.00 0.00 175.76 177.91 2wgq n LYS 498 N 1.02 0.66 -4.49 0.00 5.02 -1.26 -0.48 118.16 118.63 2wgq n LYS 498 Ca -0.00 0.21 -0.24 0.00 -2.02 0.00 0.00 58.31 56.26 2wgq n LYS 498 Cb 0.45 -1.57 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 2wgq n LYS 498 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wgq s THR 499 N -2.52 0.65 -2.01 -0.18 -4.23 -1.26 -4.05 115.64 102.05 2wgq s THR 499 Ca -0.33 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.48 2wgq s THR 499 Cb 0.09 -2.42 0.85 0.00 1.34 0.00 0.00 72.50 72.36 2wgq s THR 499 CO 0.62 0.00 2.14 0.23 -0.54 0.00 0.00 174.62 177.07 2wgq n MET 500 N -0.85 1.01 -0.18 3.99 2.81 -1.26 -3.05 117.12 119.58 2wgq n MET 500 Ca -0.05 -0.01 0.07 0.00 -1.81 0.00 0.00 57.70 55.90 2wgq n MET 500 Cb 0.65 -1.47 0.21 0.00 -0.71 0.00 0.00 33.22 31.90 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 -0.95 0.49 -3.39 2.03 8.25 -1.26 -4.85 115.22 115.53 2wgq n HIS 501 Ca 0.22 -0.24 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 2wgq n HIS 501 Cb 0.11 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 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 -1.09 6.34 0.09 0.41 1.01 -1.17 -5.01 116.67 117.25 2wgq s ASP 502 Ca 0.28 0.52 -0.34 0.00 0.71 0.00 0.00 52.55 53.71 2wgq s ASP 502 Cb 0.15 -2.06 -0.15 0.00 1.01 0.00 0.00 42.92 41.86 2wgq s ASP 502 CO 0.20 -0.25 1.54 -0.33 0.21 0.00 0.00 175.17 176.54 2wgq h GLU 503 N 1.12 -0.83 0.00 8.23 3.07 -1.91 -2.09 114.58 122.18 2wgq h GLU 503 Ca -0.49 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2wgq h GLU 503 Cb 1.21 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 2wgq h GLU 503 CO 0.63 -0.55 0.00 1.79 -1.40 0.00 0.00 179.01 179.48 2wgq h THR 504 N -0.86 0.00 -0.87 1.13 1.35 -1.96 -3.36 112.91 108.34 2wgq h THR 504 Ca -0.03 -0.10 0.18 0.00 -0.55 0.00 0.00 66.41 65.90 2wgq h THR 504 Cb 0.79 0.78 -0.16 0.00 -1.73 0.00 0.00 68.15 67.84 2wgq h THR 504 CO -0.17 0.00 -0.19 0.00 -0.25 0.00 0.00 175.52 174.90 2wgq h ALA 505 N 2.06 0.61 0.53 6.62 0.00 -1.67 1.22 119.26 128.63 2wgq h ALA 505 Ca 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2wgq h ALA 505 Cb 0.14 0.64 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2wgq h ALA 505 CO 0.00 -0.41 -0.25 0.87 0.00 0.00 0.00 179.25 179.46 2wgq h LYS 506 N 0.01 -0.68 -1.00 0.00 6.56 -1.79 -1.40 116.57 118.27 2wgq h LYS 506 Ca 0.43 0.05 0.03 0.00 -1.06 0.00 0.00 60.65 60.09 2wgq h LYS 506 Cb 0.67 0.15 -0.06 0.00 -0.57 0.00 0.00 32.23 32.43 2wgq h LYS 506 CO -0.88 -0.44 0.66 -0.44 -2.06 0.00 0.00 179.45 176.28 2wgq h ASP 507 N -0.74 1.10 0.28 0.86 3.32 -1.29 -2.04 116.42 117.91 2wgq h ASP 507 Ca -0.07 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2wgq h ASP 507 Cb 0.56 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2wgq h ASP 507 CO 0.12 0.76 -0.16 0.44 -1.72 0.00 0.00 179.24 178.67 2wgq h ASP 508 N 1.28 0.00 -0.29 6.45 3.32 0.17 -3.01 116.42 124.34 2wgq h ASP 508 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2wgq h ASP 508 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2wgq h ASP 508 CO -0.12 0.16 0.00 0.35 -1.72 0.00 0.00 179.24 177.91 2wgq n THR 509 N -3.96 2.04 0.12 0.35 -2.24 -0.56 -4.52 114.28 105.51 2wgq n THR 509 Ca -0.02 -1.68 0.02 0.00 -2.27 0.00 0.00 64.05 60.11 2wgq n THR 509 Cb 0.25 -0.10 0.39 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.96 0.22 -0.11 -0.78 2.43 -1.38 -3.16 114.38 113.57 2wgq h ARG 510 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wgq h ARG 510 Cb 1.32 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2wgq h ARG 510 CO 0.19 0.37 0.00 0.66 -1.51 0.00 0.00 179.97 179.68 2wgq n TYR 511 N -4.27 0.32 0.00 2.20 4.01 -1.26 -5.05 117.16 113.10 2wgq n TYR 511 Ca -0.01 -0.86 0.00 0.00 -0.16 0.00 0.00 57.90 56.87 2wgq n TYR 511 Cb 0.27 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2wgq n TYR 511 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wgq n GLY 512 N -0.88 1.66 3.81 2.72 0.00 -1.20 -0.94 105.19 110.36 2wgq n GLY 512 Ca 0.15 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 2wgq n GLY 512 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wgq s THR 513 N -2.00 4.28 -0.65 2.61 2.01 -1.24 -4.36 115.64 116.28 2wgq s THR 513 Ca 0.00 1.57 -0.26 0.00 0.31 0.00 0.00 61.69 63.31 2wgq s THR 513 Cb 0.00 -3.72 0.04 0.00 0.01 0.00 0.00 72.50 68.83 2wgq s THR 513 CO 0.00 -0.16 1.16 -0.22 -0.69 0.00 0.00 174.62 174.71 2wgq s LEU 514 N -2.83 3.55 -0.02 4.42 2.96 -1.26 -0.61 118.68 124.89 2wgq s LEU 514 Ca 0.58 -0.34 0.21 0.00 -0.22 0.00 0.00 54.13 54.36 2wgq s LEU 514 Cb -0.13 -2.77 -0.29 0.00 0.50 0.00 0.00 46.19 43.51 2wgq s LEU 514 CO 0.17 -1.59 0.58 2.30 -1.32 0.00 0.00 176.35 176.49 2wgq n ILE 515 N 6.38 0.00 -4.06 6.68 -5.35 -0.47 -4.79 119.36 117.75 2wgq n ILE 515 Ca 0.04 -0.34 -0.10 0.00 -0.27 0.00 0.00 62.75 62.08 2wgq n ILE 515 Cb 0.48 0.32 -0.07 0.00 -1.74 0.00 0.00 39.64 38.63 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 -3.93 0.04 0.23 7.28 3.68 -1.05 -4.54 116.67 118.38 2wgq s ASP 516 Ca -0.03 -1.07 -0.32 0.00 2.13 0.00 0.00 52.55 53.27 2wgq s ASP 516 Cb 0.14 0.46 -0.12 0.00 -1.45 0.00 0.00 42.92 41.95 2wgq s ASP 516 CO 0.85 -0.96 1.67 1.41 0.13 0.00 0.00 175.17 178.28 2wgq n HIS 517 N -0.28 2.75 -0.91 -5.34 8.25 -1.26 -1.79 115.22 116.63 2wgq n HIS 517 Ca -0.02 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2wgq n HIS 517 Cb 0.64 -2.64 0.00 0.00 1.12 0.00 0.00 29.99 29.10 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 3.36 -4.22 -4.05 0.41 4.13 0.37 -4.95 115.26 110.30 2wgq n ASN 518 Ca 0.14 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 56.08 2wgq n ASN 518 Cb 0.35 -2.74 -0.16 0.00 -1.54 0.00 0.00 39.78 35.70 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 -1.27 1.97 -0.22 2.41 -1.09 -0.74 -0.67 121.20 121.59 2wgq s ILE 519 Ca 0.00 -1.28 -0.08 0.00 -2.23 0.00 0.00 60.65 57.06 2wgq s ILE 519 Cb 0.00 -2.00 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 2wgq s ILE 519 CO 0.00 0.16 0.08 -0.69 -1.23 0.00 0.00 174.94 173.26 2wgq s VAL 520 N 1.24 4.67 -1.07 2.92 1.01 -0.08 -1.37 120.40 127.72 2wgq s VAL 520 Ca -0.03 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 2wgq s VAL 520 Cb -0.17 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.13 2wgq s VAL 520 CO -0.08 0.38 1.46 -0.83 0.00 0.00 0.00 175.10 176.04 2wgq s GLY 521 N 1.05 1.50 0.27 4.51 0.00 0.22 -0.43 107.32 114.43 2wgq s GLY 521 Ca 0.05 -2.53 -0.29 0.00 0.00 0.00 0.00 44.72 41.94 2wgq s GLY 521 CO 0.03 2.57 1.18 2.41 0.00 0.00 0.00 173.10 179.29 2wgq n THR 522 N 6.47 1.58 -2.29 0.90 -1.04 -1.25 -3.70 114.28 114.94 2wgq n THR 522 Ca 0.35 -0.40 -0.35 0.00 -2.04 0.00 0.00 64.05 61.62 2wgq n THR 522 Cb 0.49 -1.20 -0.00 0.00 -1.82 0.00 0.00 70.33 67.80 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 -0.70 3.23 0.14 12.58 2.01 -0.11 -4.89 115.64 127.90 2wgq s THR 523 Ca 0.62 0.77 -0.15 0.00 0.31 0.00 0.00 61.69 63.25 2wgq s THR 523 Cb -0.69 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 68.56 2wgq s THR 523 CO 0.57 -0.16 0.71 0.00 -0.69 0.00 0.00 174.62 175.05 2wgq n HIS 524 N -1.23 -1.19 -4.37 4.92 1.44 -1.18 -1.19 115.22 112.42 2wgq n HIS 524 Ca 0.11 -0.92 -0.24 0.00 -2.01 0.00 0.00 57.72 54.66 2wgq n HIS 524 Cb 0.51 0.45 -0.09 0.00 0.12 0.00 0.00 29.99 30.99 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 -2.04 2.03 -0.27 -1.40 -0.21 -0.93 0.25 119.66 117.09 2wgq s GLN 525 Ca 0.16 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 53.85 2wgq s GLN 525 Cb -0.02 -1.93 0.05 0.00 1.00 0.00 0.00 33.01 32.10 2wgq s GLN 525 CO 0.04 0.22 -0.06 -1.01 -2.12 0.00 0.00 175.29 172.37 2wgq s HIS 526 N -2.48 3.22 -0.22 0.91 3.76 -0.55 -3.93 115.29 115.99 2wgq s HIS 526 Ca 0.33 -1.99 0.01 0.00 -0.15 0.00 0.00 55.06 53.25 2wgq s HIS 526 Cb -0.02 -2.02 0.03 0.00 1.11 0.00 0.00 32.58 31.68 2wgq s HIS 526 CO 0.18 -0.82 -0.13 0.42 -0.85 0.00 0.00 174.74 173.54 2wgq s ILE 527 N 1.21 2.34 -0.08 0.60 1.01 -0.47 -0.51 121.20 125.29 2wgq s ILE 527 Ca -0.06 -1.17 -0.00 0.00 0.00 0.00 0.00 60.65 59.42 2wgq s ILE 527 Cb -0.19 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2wgq s ILE 527 CO -0.04 0.27 -0.05 -0.31 0.00 0.00 0.00 174.94 174.82 2wgq s TYR 528 N 1.24 3.00 -0.08 3.97 2.02 0.85 -1.38 117.35 126.97 2wgq s TYR 528 Ca -0.01 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 2wgq s TYR 528 Cb -0.16 -1.75 0.01 0.00 -0.40 0.00 0.00 41.96 39.66 2wgq s TYR 528 CO -0.08 0.34 -0.17 1.21 -1.57 0.00 0.00 175.55 175.29 2wgq s ASN 529 N -0.75 2.31 -0.21 2.29 2.47 0.89 -1.32 114.94 120.63 2wgq s ASN 529 Ca 0.11 -0.41 -0.05 0.00 0.42 0.00 0.00 52.86 52.94 2wgq s ASN 529 Cb -0.11 -1.06 -0.02 0.00 -1.45 0.00 0.00 41.25 38.61 2wgq s ASN 529 CO 0.02 0.07 -0.01 -0.36 -3.72 0.00 0.00 177.10 173.10 2wgq s PHE 530 N 0.61 3.02 -0.32 0.43 0.08 -0.35 0.03 117.98 121.47 2wgq s PHE 530 Ca -0.15 -0.59 -0.20 0.00 0.12 0.00 0.00 56.93 56.12 2wgq s PHE 530 Cb -0.16 -2.10 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 2wgq s PHE 530 CO 0.05 -0.34 0.61 0.50 -0.10 0.00 0.00 175.22 175.94 2wgq s ARG 531 N 1.19 3.82 -0.44 0.44 3.52 -0.74 -0.35 118.95 126.39 2wgq s ARG 531 Ca 0.03 0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 2wgq s ARG 531 Cb -0.15 -3.75 0.13 0.00 -1.56 0.00 0.00 34.95 29.62 2wgq s ARG 531 CO 0.01 -0.61 0.21 -0.51 -0.81 0.00 0.00 175.30 173.59 2wgq s LEU 532 N 2.60 3.15 -1.24 -0.88 1.43 0.23 -2.24 118.68 121.72 2wgq s LEU 532 Ca 0.24 -2.57 -0.20 0.00 -1.03 0.00 0.00 54.13 50.57 2wgq s LEU 532 Cb -0.15 -1.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.88 2wgq s LEU 532 CO 0.13 -0.28 1.85 -0.67 0.23 0.00 0.00 176.35 177.61 2wgq n ASP 533 N 3.64 4.08 -4.73 2.29 2.03 0.50 -1.29 116.55 123.06 2wgq n ASP 533 Ca 0.06 -2.82 -0.42 0.00 0.52 0.00 0.00 54.79 52.13 2wgq n ASP 533 Cb 0.35 -1.71 -0.03 0.00 -0.72 0.00 0.00 41.12 39.02 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 6.34 4.40 -0.57 -2.67 1.43 -1.26 -0.66 118.68 125.69 2wgq s LEU 534 Ca 0.59 2.39 0.04 0.00 -1.03 0.00 0.00 54.13 56.12 2wgq s LEU 534 Cb 0.04 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.80 2wgq s LEU 534 CO 0.09 -0.58 0.34 -1.81 0.23 0.00 0.00 176.35 174.62 2wgq s ASP 535 N 0.58 4.28 -0.68 2.29 1.01 0.17 -4.59 116.67 119.74 2wgq s ASP 535 Ca 0.59 -3.24 -0.26 0.00 0.71 0.00 0.00 52.55 50.35 2wgq s ASP 535 Cb -0.37 -1.51 -0.02 0.00 1.01 0.00 0.00 42.92 42.03 2wgq s ASP 535 CO 0.36 -0.19 1.81 -0.69 0.21 0.00 0.00 175.17 176.67 2wgq s VAL 536 N -0.57 3.41 -1.35 -1.27 1.01 -1.25 -3.09 120.40 117.29 2wgq s VAL 536 Ca 0.20 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2wgq s VAL 536 Cb -0.18 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2wgq s VAL 536 CO -0.06 -1.03 0.00 -0.67 0.00 0.00 0.00 175.10 173.34 2wgq n ASP 537 N 12.53 -5.27 0.00 3.32 2.03 0.17 -4.49 116.55 124.84 2wgq n ASP 537 Ca 0.22 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.84 2wgq n ASP 537 Cb 0.51 -4.11 0.00 0.00 -0.72 0.00 0.00 41.12 36.80 2wgq n ASP 537 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wgq n GLY 538 N 0.08 -0.21 0.10 0.27 0.00 -1.18 -4.75 105.19 99.50 2wgq n GLY 538 Ca -0.13 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 2wgq n GLY 538 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wgq h GLU 539 N 0.00 -0.14 -5.68 1.61 3.07 -1.86 -3.41 114.58 108.17 2wgq h GLU 539 Ca 0.00 0.01 -0.61 0.00 -0.50 0.00 0.00 59.36 58.26 2wgq h GLU 539 Cb 0.00 0.03 -0.12 0.00 -0.84 0.00 0.00 28.75 27.83 2wgq h GLU 539 CO 0.00 0.08 0.30 -0.80 -1.40 0.00 0.00 179.01 177.19 2wgq s ASN 540 N -5.25 6.55 0.34 1.42 0.01 -1.26 -3.73 114.94 113.02 2wgq s ASN 540 Ca -0.14 0.41 0.03 0.00 -0.71 0.00 0.00 52.86 52.45 2wgq s ASN 540 Cb 0.04 -2.38 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 2wgq s ASN 540 CO 0.64 -0.63 0.10 0.20 -1.51 0.00 0.00 177.10 175.90 2wgq s ASN 541 N 1.74 2.25 0.06 -1.22 0.01 0.75 -4.38 114.94 114.15 2wgq s ASN 541 Ca 0.29 -1.50 0.00 0.00 -0.71 0.00 0.00 52.86 50.95 2wgq s ASN 541 Cb -0.14 0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.68 2wgq s ASN 541 CO 0.14 -0.76 -0.05 -0.44 -1.51 0.00 0.00 177.10 174.49 2wgq s SER 542 N -3.49 0.69 -0.22 -1.22 0.01 -0.01 -1.09 113.70 108.37 2wgq s SER 542 Ca 0.32 -0.86 -0.07 0.00 1.31 0.00 0.00 55.95 56.66 2wgq s SER 542 Cb 0.06 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 2wgq s SER 542 CO 0.15 -0.46 0.04 -0.22 0.41 0.00 0.00 173.24 173.16 2wgq s LEU 543 N -2.54 3.43 -0.10 2.44 2.96 -1.26 -0.11 118.68 123.50 2wgq s LEU 543 Ca 0.02 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2wgq s LEU 543 Cb 0.02 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.83 2wgq s LEU 543 CO -0.06 0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.20 2wgq s VAL 544 N 1.22 1.26 0.15 1.68 1.01 -0.18 -0.05 120.40 125.49 2wgq s VAL 544 Ca 0.04 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 2wgq s VAL 544 Cb -0.14 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 2wgq s VAL 544 CO 0.03 0.40 0.46 0.00 0.00 0.00 0.00 175.10 175.98 2wgq s ALA 545 N 1.19 3.67 -0.29 5.51 0.00 -0.23 -1.30 121.76 130.31 2wgq s ALA 545 Ca -0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 2wgq s ALA 545 Cb -0.14 -2.32 0.10 0.00 0.00 0.00 0.00 23.12 20.75 2wgq s ALA 545 CO -0.03 0.56 0.12 -1.64 0.00 0.00 0.00 175.76 174.76 2wgq s MET 546 N -2.36 0.34 -0.37 0.00 -1.94 0.04 -1.98 119.30 113.03 2wgq s MET 546 Ca 0.40 -0.67 -0.15 0.00 -1.71 0.00 0.00 55.69 53.55 2wgq s MET 546 Cb -0.13 -1.42 0.00 0.00 2.01 0.00 0.00 34.83 35.29 2wgq s MET 546 CO 0.21 -1.00 0.35 -0.51 -0.01 0.00 0.00 175.02 174.06 2wgq s ASP 547 N 1.96 6.15 0.32 3.03 1.01 -0.09 -0.80 116.67 128.25 2wgq s ASP 547 Ca 0.09 -0.48 -0.29 0.00 0.71 0.00 0.00 52.55 52.58 2wgq s ASP 547 Cb -0.16 -2.19 -0.10 0.00 1.01 0.00 0.00 42.92 41.48 2wgq s ASP 547 CO -0.33 -0.40 1.23 -2.84 0.21 0.00 0.00 175.17 173.04 2wgq s PRO 548 N 1.95 4.44 0.02 8.23 0.02 -1.26 -0.53 135.00 147.87 2wgq s PRO 548 Ca 0.10 2.06 -0.11 0.00 0.02 0.00 0.00 61.00 63.08 2wgq s PRO 548 Cb -0.17 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.27 2wgq s PRO 548 CO 0.12 -0.06 0.22 0.14 -0.33 0.00 0.00 177.00 177.08 2wgq s VAL 549 N -1.16 0.09 -0.06 3.83 -7.23 0.62 -4.90 120.40 111.59 2wgq s VAL 549 Ca 0.48 -0.75 -0.23 0.00 -1.81 0.00 0.00 61.98 59.67 2wgq s VAL 549 Cb -0.37 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2wgq s VAL 549 CO 0.48 -0.41 0.70 -0.69 -0.31 0.00 0.00 175.10 174.87 2wgq s VAL 550 N -2.08 5.04 0.06 1.32 1.01 -1.26 -0.84 120.40 123.66 2wgq s VAL 550 Ca -0.09 1.44 0.07 0.00 0.00 0.00 0.00 61.98 63.40 2wgq s VAL 550 Cb -0.03 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2wgq s VAL 550 CO -0.01 0.26 -0.20 -0.54 0.00 0.00 0.00 175.10 174.61 2wgq s LYS 551 N 0.77 1.21 0.31 2.72 1.02 -0.13 -4.95 119.74 120.69 2wgq s LYS 551 Ca 0.37 -0.99 -0.29 0.00 0.02 0.00 0.00 55.97 55.08 2wgq s LYS 551 Cb -0.18 -1.35 -0.12 0.00 -0.52 0.00 0.00 37.83 35.66 2wgq s LYS 551 CO 0.18 0.33 1.38 -2.30 -0.92 0.00 0.00 175.35 174.03 2wgq n PRO 552 N 1.57 2.24 -2.25 -1.68 -0.02 -1.26 0.45 135.00 134.04 2wgq n PRO 552 Ca -0.18 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 2wgq n PRO 552 Cb 0.54 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2wgq n PRO 552 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2wgq s ASN 553 N -0.02 6.94 0.00 2.55 3.04 -0.29 -4.67 114.94 122.49 2wgq s ASN 553 Ca 0.60 2.36 0.00 0.00 0.04 0.00 0.00 52.86 55.86 2wgq s ASN 553 Cb -0.57 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 36.53 2wgq s ASN 553 CO 0.57 -0.50 0.26 0.35 -3.04 0.00 0.00 177.10 174.75 2wgq n THR 554 N 2.64 0.00 1.27 -5.21 -2.24 -1.26 -4.72 114.28 104.76 2wgq n THR 554 Ca 0.06 -0.32 0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2wgq n THR 554 Cb 0.43 1.29 0.41 0.00 -2.10 0.00 0.00 70.33 70.36 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 -0.12 3.02 0.00 6.98 0.00 -1.26 -5.06 120.51 124.06 2wgq n ALA 555 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2wgq n ALA 555 Cb 0.07 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.33 -1.76 3.28 0.00 0.00 -1.26 -5.10 105.19 101.67 2wgq n GLY 556 Ca 0.13 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 -1.75 0.10 -0.02 0.00 -1.26 -4.49 105.19 97.76 2wgq n GLY 557 Ca 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.51 0.24 -2.03 1.61 -0.02 -1.26 -4.80 135.00 126.24 2wgq n PRO 558 Ca 0.00 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 2wgq n PRO 558 Cb 0.28 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 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 -3.09 4.23 0.42 -0.52 1.81 -1.26 -4.90 118.95 115.64 2wgq s ARG 559 Ca 0.11 2.22 0.22 0.00 -1.72 0.00 0.00 55.73 56.56 2wgq s ARG 559 Cb 0.13 -3.48 0.30 0.00 -0.45 0.00 0.00 34.95 31.45 2wgq s ARG 559 CO 0.59 -0.64 1.58 1.79 -0.68 0.00 0.00 175.30 177.95 2wgq h THR 560 N 4.63 0.12 -4.17 0.02 1.35 -1.93 -3.42 112.91 109.51 2wgq h THR 560 Ca -0.41 -1.17 -0.14 0.00 -0.55 0.00 0.00 66.41 64.13 2wgq h THR 560 Cb 1.20 2.06 -0.15 0.00 -1.73 0.00 0.00 68.15 69.53 2wgq h THR 560 CO 0.91 0.07 -0.68 -0.94 -0.25 0.00 0.00 175.52 174.63 2wgq s SER 561 N -6.24 0.60 0.12 5.36 1.04 -1.26 -1.13 113.70 112.18 2wgq s SER 561 Ca 0.07 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.52 2wgq s SER 561 Cb 0.05 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2wgq s SER 561 CO 0.68 -0.58 -0.06 0.42 0.98 0.00 0.00 173.24 174.68 2wgq s THR 562 N -3.87 0.79 -0.41 2.02 -4.23 0.17 -4.63 115.64 105.47 2wgq s THR 562 Ca 0.08 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.46 2wgq s THR 562 Cb 0.08 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 72.15 2wgq s THR 562 CO -0.09 -0.79 0.38 -0.04 -0.54 0.00 0.00 174.62 173.54 2wgq s MET 563 N -3.83 3.11 0.40 3.99 -1.94 -1.26 -0.96 119.30 118.81 2wgq s MET 563 Ca 0.14 -0.81 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 2wgq s MET 563 Cb 0.05 -3.95 -0.05 0.00 2.01 0.00 0.00 34.83 32.89 2wgq s MET 563 CO -0.02 -0.78 0.06 -0.65 -0.01 0.00 0.00 175.02 173.61 2wgq s GLN 564 N 1.98 1.90 -0.11 2.03 -0.21 -0.02 -4.98 119.66 120.25 2wgq s GLN 564 Ca 0.10 -2.12 0.01 0.00 0.02 0.00 0.00 55.36 53.37 2wgq s GLN 564 Cb -0.18 -1.07 0.02 0.00 1.00 0.00 0.00 33.01 32.78 2wgq s GLN 564 CO 0.12 -0.28 -0.13 0.08 -2.12 0.00 0.00 175.29 172.96 2wgq s VAL 565 N -3.08 1.36 -0.46 1.09 1.01 -1.26 -0.27 120.40 118.78 2wgq s VAL 565 Ca 0.26 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 2wgq s VAL 565 Cb 0.06 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.19 2wgq s VAL 565 CO 0.13 0.42 0.89 0.20 0.00 0.00 0.00 175.10 176.74 2wgq s ASN 566 N 1.18 6.47 -0.08 3.32 0.01 0.31 -4.91 114.94 121.24 2wgq s ASN 566 Ca -0.03 0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.17 2wgq s ASN 566 Cb -0.14 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 2wgq s ASN 566 CO -0.04 -1.02 -0.09 -1.58 -1.51 0.00 0.00 177.10 172.86 2wgq s GLN 567 N 3.65 2.90 -0.16 -0.60 0.74 -1.26 -0.91 119.66 124.02 2wgq s GLN 567 Ca 0.35 -0.59 -0.29 0.00 0.05 0.00 0.00 55.36 54.89 2wgq s GLN 567 Cb -0.11 -2.60 0.10 0.00 1.10 0.00 0.00 33.01 31.50 2wgq s GLN 567 CO 0.25 0.55 0.85 1.52 -0.55 0.00 0.00 175.29 177.91 2wgq s TYR 568 N -0.50 -0.56 0.57 1.67 1.13 -0.84 -5.01 117.35 113.82 2wgq s TYR 568 Ca 0.07 1.10 -0.18 0.00 -1.41 0.00 0.00 57.07 56.65 2wgq s TYR 568 Cb -0.12 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 2wgq s TYR 568 CO 0.02 -0.42 1.12 -0.80 -2.51 0.00 0.00 175.55 172.95 2wgq s ASN 569 N -0.68 5.59 -0.33 -0.18 -0.87 -1.26 -1.06 114.94 116.15 2wgq s ASN 569 Ca -0.04 2.11 -0.04 0.00 -1.57 0.00 0.00 52.86 53.32 2wgq s ASN 569 Cb -0.02 -2.57 0.05 0.00 -0.02 0.00 0.00 41.25 38.69 2wgq s ASN 569 CO 0.03 -1.31 0.07 -0.63 -2.57 0.00 0.00 177.10 172.69 2wgq s ILE 570 N -1.95 3.44 -0.54 0.60 1.01 0.93 -4.85 121.20 119.83 2wgq s ILE 570 Ca 0.71 -1.27 0.23 0.00 0.00 0.00 0.00 60.65 60.32 2wgq s ILE 570 Cb -0.22 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 2wgq s ILE 570 CO 0.31 -0.17 1.14 0.61 0.00 0.00 0.00 174.94 176.82 2wgq n GLY 571 N 4.73 -1.33 3.15 6.18 0.00 -1.26 -4.39 105.19 112.27 2wgq n GLY 571 Ca -0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.30 0.46 0.64 1.61 6.03 -1.26 0.89 114.94 119.01 2wgq s ASN 572 Ca 0.04 -1.17 0.35 0.00 -1.03 0.00 0.00 52.86 51.05 2wgq s ASN 572 Cb 0.13 0.26 1.96 0.00 -3.03 0.00 0.00 41.25 40.57 2wgq s ASN 572 CO 0.77 -0.68 2.17 -0.33 -2.03 0.00 0.00 177.10 176.99 2wgq h GLU 573 N 2.89 0.00 0.14 3.55 5.08 -1.28 -0.94 114.58 124.01 2wgq h GLU 573 Ca -0.35 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.69 2wgq h GLU 573 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wgq h GLU 573 CO 0.61 0.00 -1.62 1.96 -1.00 0.00 0.00 179.01 178.96 2wgq h GLN 574 N 0.00 0.29 0.00 2.33 1.08 -1.84 -2.75 115.11 114.21 2wgq h GLN 574 Ca 0.03 -0.49 -0.11 0.00 -1.45 0.00 0.00 58.65 56.62 2wgq h GLN 574 Cb 0.32 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2wgq h GLN 574 CO -0.00 1.23 -0.55 -0.44 -0.95 0.00 0.00 178.83 178.13 2wgq h ASP 575 N -0.13 0.00 1.15 1.46 3.32 -1.91 -3.22 116.42 117.09 2wgq h ASP 575 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2wgq h ASP 575 Cb 1.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.45 2wgq h ASP 575 CO 0.09 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 178.16 2wgq h ALA 576 N 1.45 1.00 -1.49 3.45 0.00 -1.17 -3.40 119.26 119.11 2wgq h ALA 576 Ca -0.01 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 2wgq h ALA 576 Cb 1.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 2wgq h ALA 576 CO 0.07 0.00 0.86 0.00 0.00 0.00 0.00 179.25 180.18 2wgq s ALA 577 N -3.59 2.92 0.10 0.00 0.00 -1.04 -3.75 121.76 116.39 2wgq s ALA 577 Ca 0.02 -1.65 -0.13 0.00 0.00 0.00 0.00 51.96 50.20 2wgq s ALA 577 Cb 0.08 -4.10 0.02 0.00 0.00 0.00 0.00 23.12 19.12 2wgq s ALA 577 CO 0.56 -3.08 0.32 1.14 0.00 0.00 0.00 175.76 174.69 2wgq s GLN 578 N 4.92 0.94 0.44 0.00 -2.07 -0.51 -4.99 119.66 118.40 2wgq s GLN 578 Ca 0.30 -0.74 -0.25 0.00 -1.82 0.00 0.00 55.36 52.85 2wgq s GLN 578 Cb -0.11 0.41 -0.08 0.00 -1.09 0.00 0.00 33.01 32.13 2wgq s GLN 578 CO 0.11 -0.34 1.33 0.15 -1.32 0.00 0.00 175.29 175.23 2wgq s LYS 579 N -3.55 3.75 -0.22 9.60 1.02 -1.26 -2.10 119.74 126.99 2wgq s LYS 579 Ca 0.02 2.21 -0.08 0.00 0.02 0.00 0.00 55.97 58.14 2wgq s LYS 579 Cb 0.02 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 2wgq s LYS 579 CO -0.10 -0.69 0.09 0.12 -0.92 0.00 0.00 175.35 173.85 2wgq s PHE 580 N -1.27 3.21 -0.34 3.18 5.36 -1.26 -4.86 117.98 121.99 2wgq s PHE 580 Ca 0.61 -0.03 -0.13 0.00 -0.96 0.00 0.00 56.93 56.42 2wgq s PHE 580 Cb -0.39 -2.18 -0.01 0.00 -0.34 0.00 0.00 43.02 40.10 2wgq s PHE 580 CO 0.50 -0.02 0.24 0.34 -1.46 0.00 0.00 175.22 174.81 2wgq s ASP 581 N 0.92 6.00 0.00 6.13 2.15 -1.26 -4.96 116.67 125.65 2wgq s ASP 581 Ca 0.05 -0.50 0.06 0.00 0.43 0.00 0.00 52.55 52.59 2wgq s ASP 581 Cb -0.14 -2.12 0.25 0.00 -0.30 0.00 0.00 42.92 40.62 2wgq s ASP 581 CO 0.03 -0.26 1.16 -0.81 -0.17 0.00 0.00 175.17 175.13 2wgq n PRO 582 N 5.09 0.01 0.00 4.34 -0.05 -1.26 -0.62 135.00 142.51 2wgq n PRO 582 Ca -0.13 0.38 0.14 0.00 -0.05 0.00 0.00 63.50 63.84 2wgq n PRO 582 Cb 0.49 -1.50 0.60 0.00 -0.05 0.00 0.00 33.50 33.04 2wgq n PRO 582 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2wgq n GLY 583 N -0.89 -0.63 3.79 0.55 0.00 -1.26 -4.89 105.19 101.86 2wgq n GLY 583 Ca 0.02 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.27 2.63 -0.08 2.61 -4.23 0.21 -4.39 115.64 110.13 2wgq s THR 584 Ca 0.34 -1.56 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 2wgq s THR 584 Cb 0.20 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 71.03 2wgq s THR 584 CO 0.43 -0.05 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.59 2wgq s ILE 585 N -2.51 2.14 -0.08 2.99 1.01 0.02 -4.94 121.20 119.83 2wgq s ILE 585 Ca 0.43 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 60.09 2wgq s ILE 585 Cb -0.00 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.68 2wgq s ILE 585 CO 0.25 0.57 -0.18 -0.13 0.00 0.00 0.00 174.94 175.44 2wgq s ARG 586 N 0.01 2.38 0.04 2.79 1.81 -1.26 -0.78 118.95 123.94 2wgq s ARG 586 Ca -0.09 -0.65 0.07 0.00 -1.72 0.00 0.00 55.73 53.34 2wgq s ARG 586 Cb -0.15 -1.86 -0.02 0.00 -0.45 0.00 0.00 34.95 32.46 2wgq s ARG 586 CO 0.05 0.11 -0.19 -0.51 -0.68 0.00 0.00 175.30 174.09 2wgq s LEU 587 N 0.48 2.16 -0.39 2.53 1.43 -0.42 -1.31 118.68 123.16 2wgq s LEU 587 Ca -0.16 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 2wgq s LEU 587 Cb -0.17 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.17 2wgq s LEU 587 CO 0.06 0.14 0.27 -0.22 0.23 0.00 0.00 176.35 176.83 2wgq s LEU 588 N -1.11 4.89 0.21 1.79 2.96 -0.83 -1.01 118.68 125.58 2wgq s LEU 588 Ca 0.06 -0.78 0.06 0.00 -0.22 0.00 0.00 54.13 53.25 2wgq s LEU 588 Cb -0.08 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2wgq s LEU 588 CO 0.01 -0.38 0.22 -0.44 -1.32 0.00 0.00 176.35 174.44 2wgq s SER 589 N 1.67 5.76 -0.39 3.68 0.01 0.85 -1.76 113.70 123.53 2wgq s SER 589 Ca 0.05 -0.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.11 2wgq s SER 589 Cb -0.19 -1.56 0.05 0.00 0.21 0.00 0.00 66.02 64.54 2wgq s SER 589 CO 0.10 0.00 0.21 0.21 0.41 0.00 0.00 173.24 174.17 2wgq s ASN 590 N -3.57 5.61 0.00 2.44 3.84 0.12 -0.83 114.94 122.55 2wgq s ASN 590 Ca 0.33 -1.25 0.17 0.00 0.21 0.00 0.00 52.86 52.32 2wgq s ASN 590 Cb -0.09 -1.98 1.02 0.00 -0.55 0.00 0.00 41.25 39.65 2wgq s ASN 590 CO 0.26 -0.44 1.49 -0.81 -2.79 0.00 0.00 177.10 174.80 2wgq n PRO 591 N 4.92 0.74 0.00 0.43 -0.05 -1.26 -2.54 135.00 137.24 2wgq n PRO 591 Ca -0.11 0.00 0.07 0.00 -0.05 0.00 0.00 63.50 63.41 2wgq n PRO 591 Cb 0.44 -1.36 -0.07 0.00 -0.05 0.00 0.00 33.50 32.46 2wgq n PRO 591 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2wgq n ASN 592 N -0.86 0.78 -3.96 3.54 3.02 -1.26 -5.00 115.26 111.51 2wgq n ASN 592 Ca 0.13 -0.89 -0.12 0.00 -0.03 0.00 0.00 54.58 53.67 2wgq n ASN 592 Cb 0.06 0.94 -0.13 0.00 -0.61 0.00 0.00 39.78 40.04 2wgq n ASN 592 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wgq s LYS 593 N -2.31 0.29 0.04 3.52 1.02 -1.05 -5.13 119.74 116.12 2wgq s LYS 593 Ca 0.06 -0.36 -0.06 0.00 0.02 0.00 0.00 55.97 55.63 2wgq s LYS 593 Cb 0.11 -0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.29 2wgq s LYS 593 CO 0.57 0.02 0.12 -1.83 -0.92 0.00 0.00 175.35 173.31 2wgq s GLU 594 N -0.73 0.61 1.05 1.68 -1.05 -1.26 -1.97 118.70 117.05 2wgq s GLU 594 Ca -0.06 -0.73 -0.15 0.00 -0.15 0.00 0.00 54.97 53.88 2wgq s GLU 594 Cb -0.05 0.24 0.22 0.00 -0.44 0.00 0.00 34.13 34.10 2wgq s GLU 594 CO -0.00 -0.16 1.13 0.54 0.95 0.00 0.00 175.26 177.72 2wgq s ASN 595 N -2.13 2.20 0.59 0.83 6.03 -0.00 -4.81 114.94 117.65 2wgq s ASN 595 Ca -0.05 0.86 0.09 0.00 -1.03 0.00 0.00 52.86 52.72 2wgq s ASN 595 Cb -0.01 -1.30 0.46 0.00 -3.03 0.00 0.00 41.25 37.37 2wgq s ASN 595 CO -0.04 -3.36 1.22 0.03 -2.03 0.00 0.00 177.10 172.92 2wgq h ARG 596 N -2.05 0.00 -0.22 3.55 3.08 -1.90 0.25 114.38 117.09 2wgq h ARG 596 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2wgq h ARG 596 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2wgq h ARG 596 CO 0.49 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 178.06 2wgq n MET 597 N -2.45 2.28 -0.94 0.04 2.81 -1.26 -4.95 117.12 112.66 2wgq n MET 597 Ca -0.01 -2.05 0.00 0.00 -1.81 0.00 0.00 57.70 53.83 2wgq n MET 597 Cb 0.75 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 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 1.34 0.64 3.79 3.03 0.00 0.08 -5.04 105.19 109.02 2wgq n GLY 598 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.24 6.90 0.16 1.61 0.02 -1.26 -4.85 114.94 115.28 2wgq s ASN 599 Ca 0.00 1.07 -0.31 0.00 -1.02 0.00 0.00 52.86 52.60 2wgq s ASN 599 Cb 0.00 -2.32 -0.09 0.00 0.02 0.00 0.00 41.25 38.87 2wgq s ASN 599 CO 0.00 0.19 1.39 -2.16 0.02 0.00 0.00 177.10 176.54 2wgq s PRO 600 N -0.55 4.32 -0.10 -0.60 0.04 -1.26 -0.82 135.00 136.03 2wgq s PRO 600 Ca 0.27 2.12 -0.39 0.00 0.04 0.00 0.00 61.00 63.05 2wgq s PRO 600 Cb -0.18 -3.21 -0.17 0.00 0.04 0.00 0.00 34.50 30.99 2wgq s PRO 600 CO 0.15 -0.40 1.49 1.33 0.04 0.00 0.00 177.00 179.61 2wgq n VAL 601 N 3.38 0.12 -3.96 -0.36 0.24 -0.83 -4.77 118.33 112.14 2wgq n VAL 601 Ca 0.10 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.34 62.28 2wgq n VAL 601 Cb 0.42 -0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 31.85 2wgq n VAL 601 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2wgq s SER 602 N 1.79 0.02 -0.11 -1.34 0.01 -0.83 -0.70 113.70 112.53 2wgq s SER 602 Ca 0.92 -0.88 0.03 0.00 1.31 0.00 0.00 55.95 57.32 2wgq s SER 602 Cb -1.07 0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.62 2wgq s SER 602 CO 0.58 -0.92 -0.19 -0.31 0.41 0.00 0.00 173.24 172.80 2wgq s TYR 603 N -3.98 2.30 -0.27 2.43 1.51 -0.72 -0.17 117.35 118.46 2wgq s TYR 603 Ca 0.18 -1.06 -0.29 0.00 -1.01 0.00 0.00 57.07 54.89 2wgq s TYR 603 Cb 0.03 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 2wgq s TYR 603 CO 0.01 -0.49 1.22 -1.14 -1.11 0.00 0.00 175.55 174.04 2wgq s GLN 604 N 0.72 4.05 -0.33 -0.62 0.74 0.14 -1.97 119.66 122.40 2wgq s GLN 604 Ca -0.11 1.30 -0.17 0.00 0.05 0.00 0.00 55.36 56.44 2wgq s GLN 604 Cb -0.16 -3.80 -0.01 0.00 1.10 0.00 0.00 33.01 30.14 2wgq s GLN 604 CO 0.02 -0.94 0.45 0.42 -0.55 0.00 0.00 175.29 174.69 2wgq s ILE 605 N 3.91 5.08 -0.56 -2.34 1.01 -0.43 -0.81 121.20 127.06 2wgq s ILE 605 Ca 0.52 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.56 2wgq s ILE 605 Cb -0.16 -3.88 0.14 0.00 0.01 0.00 0.00 42.46 38.57 2wgq s ILE 605 CO 0.18 -0.10 0.32 -0.63 0.00 0.00 0.00 174.94 174.71 2wgq s ILE 606 N 2.24 2.70 -0.29 2.92 1.01 0.65 -4.45 121.20 125.97 2wgq s ILE 606 Ca 0.17 -3.52 0.27 0.00 0.00 0.00 0.00 60.65 57.56 2wgq s ILE 606 Cb -0.16 -2.85 0.29 0.00 0.01 0.00 0.00 42.46 39.76 2wgq s ILE 606 CO 0.12 -0.85 1.80 1.55 0.00 0.00 0.00 174.94 177.56 2wgq h PRO 607 N 6.27 0.00 -3.76 2.79 0.13 -1.87 -1.46 132.00 134.11 2wgq h PRO 607 Ca -0.03 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.52 2wgq h PRO 607 Cb 0.86 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.60 2wgq h PRO 607 CO 0.70 0.00 -0.76 -0.47 -0.23 0.00 0.00 178.00 177.24 2wgq s TYR 608 N -3.43 1.81 -0.21 1.56 5.04 -1.26 -4.50 117.35 116.36 2wgq s TYR 608 Ca 0.03 -1.64 0.15 0.00 -2.44 0.00 0.00 57.07 53.17 2wgq s TYR 608 Cb 0.09 -1.63 0.51 0.00 0.35 0.00 0.00 41.96 41.29 2wgq s TYR 608 CO 0.44 -0.81 1.43 0.00 -1.34 0.00 0.00 175.55 175.27 2wgq n ALA 609 N 4.82 3.33 0.00 3.97 0.00 0.33 -4.86 120.51 128.10 2wgq n ALA 609 Ca -0.05 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.85 2wgq n ALA 609 Cb 0.43 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.73 2.80 3.82 0.00 0.00 -1.23 -4.70 105.19 105.14 2wgq n GLY 610 Ca 0.25 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.11 0.02 -0.02 0.00 -1.26 0.36 107.32 106.31 2wgq s GLY 611 Ca 0.00 -0.17 0.22 0.00 0.00 0.00 0.00 44.72 44.77 2wgq s GLY 611 CO 0.00 0.01 0.84 -1.30 0.00 0.00 0.00 173.10 172.65 2wgq n THR 612 N -0.48 0.10 -4.01 0.90 -2.24 0.49 -4.89 114.28 104.16 2wgq n THR 612 Ca -0.05 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.24 2wgq n THR 612 Cb 0.60 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 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 -3.25 2.85 0.67 4.78 3.76 -1.26 -4.97 115.29 117.88 2wgq s HIS 613 Ca 0.01 -0.29 -0.17 0.00 -0.15 0.00 0.00 55.06 54.47 2wgq s HIS 613 Cb 0.14 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 32.22 2wgq s HIS 613 CO 0.85 0.33 1.23 -2.14 -0.85 0.00 0.00 174.74 174.16 2wgq s PRO 614 N -3.89 2.47 0.03 8.40 0.02 -1.26 -4.88 135.00 135.89 2wgq s PRO 614 Ca 0.38 1.84 -0.05 0.00 0.02 0.00 0.00 61.00 63.18 2wgq s PRO 614 Cb -0.05 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 2wgq s PRO 614 CO 0.24 -1.60 0.27 0.08 -0.33 0.00 0.00 177.00 175.67 2wgq s VAL 615 N -1.75 5.30 -0.06 3.83 1.01 -1.26 -1.63 120.40 125.84 2wgq s VAL 615 Ca 0.77 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.61 2wgq s VAL 615 Cb -0.31 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2wgq s VAL 615 CO 0.41 0.30 0.65 0.00 0.00 0.00 0.00 175.10 176.45 2wgq s ALA 616 N -1.37 3.38 -0.84 5.51 0.00 -0.63 -4.60 121.76 123.22 2wgq s ALA 616 Ca 0.30 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2wgq s ALA 616 Cb -0.13 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.15 2wgq s ALA 616 CO 0.18 -0.04 0.62 1.63 0.00 0.00 0.00 175.76 178.15 2wgq n LYS 617 N 3.60 1.14 0.00 0.00 4.76 -1.26 -4.77 118.16 121.63 2wgq n LYS 617 Ca -0.03 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2wgq n LYS 617 Cb 0.51 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 2wgq n LYS 617 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wgq n GLY 618 N 0.08 1.86 3.65 0.72 0.00 -1.26 -4.96 105.19 105.28 2wgq n GLY 618 Ca 0.01 -1.89 -0.47 0.00 0.00 0.00 0.00 46.02 43.67 2wgq n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgq n ALA 619 N -1.36 0.72 -1.79 4.61 0.00 -1.07 -4.86 120.51 116.74 2wgq n ALA 619 Ca 0.00 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.54 2wgq n ALA 619 Cb 0.00 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.16 2wgq n ALA 619 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wgq n GLN 620 N 3.01 3.96 -3.87 0.00 1.13 -1.26 -4.84 117.38 115.51 2wgq n GLN 620 Ca 0.17 -3.03 -0.11 0.00 -1.94 0.00 0.00 57.00 52.08 2wgq n GLN 620 Cb 0.27 -2.52 -0.11 0.00 0.11 0.00 0.00 30.24 27.99 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 -0.94 0.01 0.36 1.08 0.08 -1.26 -5.00 117.98 112.31 2wgq s PHE 621 Ca 0.57 -0.03 -0.26 0.00 0.12 0.00 0.00 56.93 57.32 2wgq s PHE 621 Cb 0.23 -0.04 -0.09 0.00 -0.57 0.00 0.00 43.02 42.55 2wgq s PHE 621 CO -0.12 -0.19 1.09 0.00 -0.10 0.00 0.00 175.22 175.90 2wgq s ALA 622 N -0.88 3.20 0.26 5.36 0.00 -1.26 -4.92 121.76 123.52 2wgq s ALA 622 Ca -0.10 0.82 0.20 0.00 0.00 0.00 0.00 51.96 52.88 2wgq s ALA 622 Cb -0.06 -3.31 1.07 0.00 0.00 0.00 0.00 23.12 20.82 2wgq s ALA 622 CO 0.01 -0.26 1.54 -1.00 0.00 0.00 0.00 175.76 176.05 2wgq h PRO 623 N 2.95 0.00 -0.60 0.00 0.13 -1.99 -0.55 132.00 131.94 2wgq h PRO 623 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2wgq h PRO 623 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wgq h PRO 623 CO 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 2wgq n ASP 624 N -2.39 4.77 -4.81 1.44 5.75 -1.26 -4.50 116.55 115.55 2wgq n ASP 624 Ca -0.01 -2.53 -0.34 0.00 -0.01 0.00 0.00 54.79 51.89 2wgq n ASP 624 Cb 0.34 -0.58 -0.07 0.00 -1.03 0.00 0.00 41.12 39.79 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 -2.00 4.28 0.17 0.11 0.41 -0.22 -4.98 118.70 116.47 2wgq s GLU 625 Ca 0.50 1.09 -0.09 0.00 -0.41 0.00 0.00 54.97 56.06 2wgq s GLU 625 Cb 0.33 -2.40 0.03 0.00 -1.78 0.00 0.00 34.13 30.32 2wgq s GLU 625 CO 0.22 0.09 1.52 -1.49 -0.49 0.00 0.00 175.26 175.12 2wgq h TRP 626 N 2.33 1.04 -0.54 1.61 4.06 -1.89 -2.28 115.95 120.28 2wgq h TRP 626 Ca -0.48 -0.29 0.06 0.00 2.06 0.00 0.00 58.89 60.24 2wgq h TRP 626 Cb 1.18 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 29.09 2wgq h TRP 626 CO 0.62 1.09 0.36 0.97 -3.56 0.00 0.00 178.44 177.92 2wgq h ILE 627 N 0.73 0.98 0.18 1.49 2.10 -1.94 -1.19 117.51 119.87 2wgq h ILE 627 Ca 0.07 -0.17 -0.01 0.00 1.08 0.00 0.00 64.86 65.84 2wgq h ILE 627 Cb 0.91 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 2wgq h ILE 627 CO 0.08 0.09 -0.09 0.22 -1.08 0.00 0.00 178.15 177.37 2wgq h TYR 628 N 0.48 -0.23 -0.88 2.19 5.03 -1.77 -0.46 116.97 121.34 2wgq h TYR 628 Ca 0.23 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.71 2wgq h TYR 628 Cb 0.30 0.08 -0.10 0.00 1.55 0.00 0.00 36.73 38.56 2wgq h TYR 628 CO -0.00 0.13 0.44 1.25 -1.32 0.00 0.00 178.16 178.66 2wgq h HIS 629 N -0.63 0.76 -0.08 -3.82 2.76 -1.18 -2.84 115.15 110.12 2wgq h HIS 629 Ca -0.03 0.04 -0.21 0.00 -2.20 0.00 0.00 60.37 57.97 2wgq h HIS 629 Cb 0.46 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2wgq h HIS 629 CO 0.04 0.12 -0.81 0.00 -1.30 0.00 0.00 177.93 175.98 2wgq h ARG 630 N 0.57 0.56 -2.50 5.26 3.08 -1.11 -3.34 114.38 116.90 2wgq h ARG 630 Ca 0.50 -0.49 -0.61 0.00 0.07 0.00 0.00 59.98 59.46 2wgq h ARG 630 Cb 0.81 0.11 -0.42 0.00 0.08 0.00 0.00 29.97 30.55 2wgq h ARG 630 CO -0.41 1.12 -0.60 1.28 -1.07 0.00 0.00 179.97 180.28 2wgq n LEU 631 N -3.86 3.37 0.25 3.04 4.77 -0.19 -3.89 117.00 120.49 2wgq n LEU 631 Ca -0.06 -5.33 0.09 0.00 -0.03 0.00 0.00 56.01 50.68 2wgq n LEU 631 Cb 0.76 -0.65 0.63 0.00 -2.33 0.00 0.00 43.42 41.82 2wgq n LEU 631 CO 0.51 1.95 0.95 0.28 -1.33 0.00 0.00 177.39 179.75 2wgq h SER 632 N 4.61 0.00 0.40 -1.43 0.02 -1.76 -2.80 113.55 112.58 2wgq h SER 632 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2wgq h SER 632 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2wgq h SER 632 CO 0.78 0.15 0.00 2.22 -1.14 0.00 0.00 176.83 178.84 2wgq n PHE 633 N -3.98 0.54 0.29 3.45 -1.74 -1.26 -1.83 117.46 112.94 2wgq n PHE 633 Ca -0.02 0.24 0.16 0.00 -0.56 0.00 0.00 57.45 57.27 2wgq n PHE 633 Cb 0.23 -0.89 0.89 0.00 1.52 0.00 0.00 39.48 41.24 2wgq n PHE 633 CO 0.00 0.00 0.00 0.52 -0.56 0.00 0.00 176.76 176.72 2wgq h MET 634 N 0.00 0.00 -0.02 3.97 2.86 -1.88 -3.32 114.93 116.54 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 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2wgq h MET 634 CO 0.00 0.05 0.00 -3.47 1.06 0.00 0.00 176.91 174.55 2wgq n ASP 635 N -3.51 1.42 -4.05 1.22 2.03 -0.76 -2.60 116.55 110.30 2wgq n ASP 635 Ca -0.02 -1.26 -0.24 0.00 0.52 0.00 0.00 54.79 53.79 2wgq n ASP 635 Cb 0.16 -0.01 -0.16 0.00 -0.72 0.00 0.00 41.12 40.39 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 -0.38 1.45 0.20 -0.67 -0.14 -1.25 -4.70 119.74 114.25 2wgq s LYS 636 Ca 0.04 -0.43 0.26 0.00 -1.36 0.00 0.00 55.97 54.48 2wgq s LYS 636 Cb 0.03 -1.27 0.75 0.00 -1.68 0.00 0.00 37.83 35.66 2wgq s LYS 636 CO 0.04 0.12 1.72 1.04 -0.76 0.00 0.00 175.35 177.51 2wgq n GLN 637 N 3.44 0.27 -3.97 1.68 3.00 -1.12 -4.34 117.38 116.33 2wgq n GLN 637 Ca -0.20 0.20 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 2wgq n GLN 637 Cb 0.53 -1.79 -0.14 0.00 0.00 0.00 0.00 30.24 28.83 2wgq n GLN 637 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2wgq s LEU 638 N -4.50 1.87 0.07 1.08 2.96 -0.89 -1.17 118.68 118.09 2wgq s LEU 638 Ca 0.10 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 2wgq s LEU 638 Cb 0.12 -0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.66 2wgq s LEU 638 CO 0.61 0.00 -0.12 0.26 -1.32 0.00 0.00 176.35 175.79 2wgq s TRP 639 N 0.12 1.07 -0.04 5.38 0.52 -0.71 -1.43 118.94 123.85 2wgq s TRP 639 Ca -0.01 -0.52 -0.02 0.00 0.02 0.00 0.00 56.10 55.57 2wgq s TRP 639 Cb -0.03 -0.60 0.03 0.00 -1.15 0.00 0.00 33.47 31.72 2wgq s TRP 639 CO -0.00 0.02 0.06 0.08 0.02 0.00 0.00 176.95 177.13 2wgq s VAL 640 N -1.64 -0.12 0.26 4.03 1.01 -1.25 -1.86 120.40 120.83 2wgq s VAL 640 Ca -0.01 0.41 0.12 0.00 0.00 0.00 0.00 61.98 62.49 2wgq s VAL 640 Cb -0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 2wgq s VAL 640 CO 0.01 0.17 -0.20 0.42 0.00 0.00 0.00 175.10 175.50 2wgq s THR 641 N 2.09 2.39 0.30 3.92 -4.23 0.38 -4.49 115.64 116.00 2wgq s THR 641 Ca 0.04 -2.32 -0.29 0.00 -1.18 0.00 0.00 61.69 57.94 2wgq s THR 641 Cb -0.12 -2.24 -0.10 0.00 1.34 0.00 0.00 72.50 71.38 2wgq s THR 641 CO -0.03 -0.36 1.38 -0.60 -0.54 0.00 0.00 174.62 174.47 2wgq s ARG 642 N -3.34 4.30 0.03 3.99 6.06 -1.26 0.45 118.95 129.17 2wgq s ARG 642 Ca 0.27 2.28 -0.30 0.00 -2.50 0.00 0.00 55.73 55.48 2wgq s ARG 642 Cb -0.05 -3.08 -0.06 0.00 0.06 0.00 0.00 34.95 31.81 2wgq s ARG 642 CO 0.13 -0.32 1.45 -0.47 -2.50 0.00 0.00 175.30 173.60 2wgq s TYR 643 N -0.64 2.82 0.01 5.12 5.04 -0.19 -4.77 117.35 124.75 2wgq s TYR 643 Ca 0.54 0.74 0.01 0.00 -2.44 0.00 0.00 57.07 55.91 2wgq s TYR 643 Cb -0.41 -3.73 -0.01 0.00 0.35 0.00 0.00 41.96 38.17 2wgq s TYR 643 CO 0.50 -2.72 -0.04 -1.01 -1.34 0.00 0.00 175.55 170.93 2wgq s HIS 644 N 2.28 0.37 0.32 4.97 3.76 -1.26 -5.03 115.29 120.70 2wgq s HIS 644 Ca 0.66 -0.20 0.06 0.00 -0.15 0.00 0.00 55.06 55.43 2wgq s HIS 644 Cb -0.34 -0.24 0.87 0.00 1.11 0.00 0.00 32.58 33.99 2wgq s HIS 644 CO 0.28 -0.04 1.60 -1.35 -0.85 0.00 0.00 174.74 174.38 2wgq h PRO 645 N 5.60 0.08 -0.66 8.40 0.11 -2.04 -2.56 132.00 140.93 2wgq h PRO 645 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2wgq h PRO 645 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2wgq h PRO 645 CO 0.47 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 2wgq n GLY 646 N -1.40 2.30 3.06 -0.55 0.00 -1.26 -4.76 105.19 102.58 2wgq n GLY 646 Ca 0.26 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 2wgq n GLY 646 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wgq s GLU 647 N -2.03 2.40 -0.00 1.61 2.02 -0.97 -4.86 118.70 116.88 2wgq s GLU 647 Ca 0.38 -2.54 0.03 0.00 0.02 0.00 0.00 54.97 52.86 2wgq s GLU 647 Cb 0.27 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2wgq s GLU 647 CO 0.15 -1.15 0.08 0.54 0.02 0.00 0.00 175.26 174.89 2wgq n ARG 648 N 3.41 1.40 -4.66 1.61 5.12 -1.26 -4.89 116.66 117.40 2wgq n ARG 648 Ca 0.07 -0.02 -0.25 0.00 -1.93 0.00 0.00 57.85 55.72 2wgq n ARG 648 Cb 0.36 -0.97 -0.16 0.00 -1.16 0.00 0.00 32.46 30.53 2wgq n ARG 648 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2wgq s PHE 649 N -2.00 1.55 0.37 -1.55 0.08 -1.26 -4.74 117.98 110.42 2wgq s PHE 649 Ca -0.01 -0.56 0.14 0.00 0.12 0.00 0.00 56.93 56.62 2wgq s PHE 649 Cb 0.02 -1.11 0.77 0.00 -0.57 0.00 0.00 43.02 42.13 2wgq s PHE 649 CO 0.12 -0.27 1.85 -1.00 -0.10 0.00 0.00 175.22 175.82 2wgq h PRO 650 N 6.84 0.00 -0.01 0.24 0.13 -1.94 -2.18 132.00 135.09 2wgq h PRO 650 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2wgq h PRO 650 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wgq h PRO 650 CO 0.47 0.35 -0.32 -0.85 -0.23 0.00 0.00 178.00 177.42 2wgq n GLU 651 N -4.07 0.71 0.00 0.86 0.00 -1.26 -2.32 120.64 114.56 2wgq n GLU 651 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 57.16 56.71 2wgq n GLU 651 Cb 0.39 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.34 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 1.37 0.41 0.18 -1.84 0.00 -0.82 -4.33 105.19 100.16 2wgq n GLY 652 Ca 0.11 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.45 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 0.04 -2.57 1.61 3.64 -1.81 -3.34 116.57 114.14 2wgq h LYS 653 Ca 0.00 -0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 2wgq h LYS 653 Cb 0.00 -0.01 -0.42 0.00 -0.41 0.00 0.00 32.23 31.39 2wgq h LYS 653 CO 0.00 0.03 -0.63 0.66 -2.27 0.00 0.00 179.45 177.24 2wgq n TYR 654 N -5.29 3.09 1.42 1.91 4.01 -1.26 -4.96 117.16 116.08 2wgq n TYR 654 Ca 0.04 -4.16 0.14 0.00 -0.16 0.00 0.00 57.90 53.76 2wgq n TYR 654 Cb 0.25 -0.54 0.51 0.00 -0.31 0.00 0.00 39.34 39.25 2wgq n TYR 654 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2wgq n PRO 655 N 1.43 1.13 -1.83 -0.72 -0.04 -1.26 -4.54 135.00 129.17 2wgq n PRO 655 Ca 0.25 -0.59 -0.43 0.00 -0.04 0.00 0.00 63.50 62.69 2wgq n PRO 655 Cb 0.39 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.28 6.03 -1.44 3.54 3.84 -1.26 -3.30 114.94 120.07 2wgq s ASN 656 Ca 0.32 1.92 -0.10 0.00 0.21 0.00 0.00 52.86 55.20 2wgq s ASN 656 Cb 0.20 -2.52 0.04 0.00 -0.55 0.00 0.00 41.25 38.42 2wgq s ASN 656 CO 0.43 -1.50 1.03 0.54 -2.79 0.00 0.00 177.10 174.82 2wgq n ARG 657 N 8.08 -6.63 -2.55 0.43 1.74 -1.26 -4.35 116.66 112.12 2wgq n ARG 657 Ca 0.23 0.75 -0.38 0.00 -0.77 0.00 0.00 57.85 57.67 2wgq n ARG 657 Cb 0.44 -5.71 -0.04 0.00 -1.02 0.00 0.00 32.46 26.13 2wgq n ARG 657 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wgq s SER 658 N -3.22 7.07 0.03 0.55 1.04 -1.21 -4.85 113.70 113.12 2wgq s SER 658 Ca 0.58 2.11 0.23 0.00 0.48 0.00 0.00 55.95 59.35 2wgq s SER 658 Cb -0.27 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.24 2wgq s SER 658 CO 0.72 -0.27 0.98 0.35 0.98 0.00 0.00 173.24 176.00 2wgq n THR 659 N 0.61 0.11 -3.95 2.02 -2.24 -1.26 -4.65 114.28 104.91 2wgq n THR 659 Ca 0.02 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 2wgq n THR 659 Cb 0.47 0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 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 -3.17 0.28 -0.32 4.78 -3.43 -1.26 -4.92 115.29 107.25 2wgq s HIS 660 Ca 0.04 -0.64 -0.29 0.00 -0.80 0.00 0.00 55.06 53.37 2wgq s HIS 660 Cb 0.15 0.20 -0.00 0.00 -1.43 0.00 0.00 32.58 31.49 2wgq s HIS 660 CO 0.82 -0.95 1.48 0.34 -2.00 0.00 0.00 174.74 174.42 2wgq s ASP 661 N -2.99 6.39 -0.00 7.38 -1.08 -1.25 -4.86 116.67 120.26 2wgq s ASP 661 Ca 0.19 1.19 0.17 0.00 -0.52 0.00 0.00 52.55 53.58 2wgq s ASP 661 Cb -0.00 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.41 2wgq s ASP 661 CO 0.06 -1.32 1.41 0.35 0.52 0.00 0.00 175.17 176.18 2wgq n THR 662 N 6.70 1.01 0.00 1.71 -2.24 -1.26 -3.70 114.28 116.50 2wgq n THR 662 Ca 0.17 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2wgq n THR 662 Cb 0.47 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.10 0.84 0.32 3.38 0.00 -1.26 -4.39 105.19 105.18 2wgq n GLY 663 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 0.52 0.18 0.99 3.38 -1.62 0.12 115.31 118.89 2wgq h LEU 664 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2wgq h LEU 664 Cb 0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2wgq h LEU 664 CO 0.00 0.37 -0.53 1.23 0.09 0.00 0.00 178.44 179.60 2wgq h GLY 665 N 0.61 -1.17 0.61 0.83 0.00 -1.85 -1.59 103.07 100.51 2wgq h GLY 665 Ca 0.20 0.64 0.07 0.00 0.00 0.00 0.00 47.33 48.24 2wgq h GLY 665 CO -0.05 -0.28 0.42 -1.61 0.00 0.00 0.00 176.54 175.02 2wgq h GLN 666 N -0.80 0.73 -0.62 4.80 4.15 -1.02 -0.67 115.11 121.68 2wgq h GLN 666 Ca -0.01 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 2wgq h GLN 666 Cb 0.78 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 2wgq h GLN 666 CO -0.25 0.48 0.00 1.88 -1.93 0.00 0.00 178.83 179.01 2wgq h TYR 667 N 0.75 1.19 -0.00 3.99 0.05 -0.54 -2.72 116.97 119.68 2wgq h TYR 667 Ca 0.35 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.92 2wgq h TYR 667 Cb 0.26 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.69 2wgq h TYR 667 CO -0.07 1.04 -0.28 -1.13 -1.05 0.00 0.00 178.16 176.67 2wgq n SER 668 N -4.18 0.31 -0.28 3.88 3.41 -0.63 -4.36 113.62 111.77 2wgq n SER 668 Ca 0.03 0.03 0.03 0.00 -0.26 0.00 0.00 58.87 58.69 2wgq n SER 668 Cb 0.35 -0.07 0.10 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.04 -0.00 -0.45 4.33 1.63 -0.78 -0.38 116.57 120.97 2wgq h LYS 669 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wgq h LYS 669 Cb 0.49 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2wgq h LYS 669 CO 0.00 -0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 175.60 2wgq n ASP 670 N -5.53 1.16 -3.99 4.20 5.75 -1.26 -4.93 116.55 111.95 2wgq n ASP 670 Ca 0.12 -2.07 -0.34 0.00 -0.01 0.00 0.00 54.79 52.49 2wgq n ASP 670 Cb 0.41 -0.26 0.01 0.00 -1.03 0.00 0.00 41.12 40.25 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 -0.02 -2.83 -4.81 -1.12 4.05 -0.15 -4.88 115.26 105.49 2wgq n ASN 671 Ca 0.05 -0.93 -0.33 0.00 0.45 0.00 0.00 54.58 53.82 2wgq n ASN 671 Cb 0.23 -1.11 -0.01 0.00 1.23 0.00 0.00 39.78 40.12 2wgq n ASN 671 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2wgq s GLU 672 N -6.77 3.58 0.43 1.20 2.02 -1.26 -4.59 118.70 113.30 2wgq s GLU 672 Ca 0.35 1.21 -0.25 0.00 0.02 0.00 0.00 54.97 56.30 2wgq s GLU 672 Cb -0.19 -2.07 -0.08 0.00 0.10 0.00 0.00 34.13 31.89 2wgq s GLU 672 CO 0.69 -0.60 1.22 0.45 0.02 0.00 0.00 175.26 177.04 2wgq s SER 673 N -2.58 6.27 -0.00 -0.19 0.15 -1.26 -0.98 113.70 115.11 2wgq s SER 673 Ca 0.64 2.45 0.07 0.00 0.70 0.00 0.00 55.95 59.81 2wgq s SER 673 Cb -0.15 -2.62 0.20 0.00 -1.71 0.00 0.00 66.02 61.75 2wgq s SER 673 CO 0.30 -0.86 1.17 0.18 1.20 0.00 0.00 173.24 175.24 2wgq n LEU 674 N -0.15 2.62 -4.71 3.45 4.77 0.26 -4.85 117.00 118.39 2wgq n LEU 674 Ca 0.05 -2.01 -0.42 0.00 -0.03 0.00 0.00 56.01 53.60 2wgq n LEU 674 Cb 0.46 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2wgq n LEU 674 CO 0.51 0.65 0.74 -0.62 -1.33 0.00 0.00 177.39 177.35 2wgq s ASP 675 N -1.02 7.28 -0.83 -1.43 2.15 -1.25 -4.29 116.67 117.29 2wgq s ASP 675 Ca 0.16 1.78 -0.10 0.00 0.43 0.00 0.00 52.55 54.81 2wgq s ASP 675 Cb 0.08 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 40.14 2wgq s ASP 675 CO 0.10 -0.32 0.54 -3.20 -0.17 0.00 0.00 175.17 172.13 2wgq n ASN 676 N 3.86 -3.96 -3.74 -0.34 4.05 -1.07 -4.96 115.26 109.10 2wgq n ASN 676 Ca 0.07 -0.95 -0.09 0.00 0.45 0.00 0.00 54.58 54.05 2wgq n ASN 676 Cb 0.49 -1.38 -0.04 0.00 1.23 0.00 0.00 39.78 40.09 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 -3.14 0.02 -0.42 -0.44 -1.32 -0.25 -4.66 115.64 105.43 2wgq s THR 677 Ca 0.14 -0.78 -0.28 0.00 -1.21 0.00 0.00 61.69 59.57 2wgq s THR 677 Cb -0.08 -1.60 -0.02 0.00 -1.51 0.00 0.00 72.50 69.29 2wgq s THR 677 CO 0.81 -0.10 1.85 -0.62 -2.21 0.00 0.00 174.62 174.35 2wgq s ASP 678 N -2.88 5.63 0.08 8.08 -1.08 -1.24 -0.18 116.67 125.08 2wgq s ASP 678 Ca 0.09 1.02 0.02 0.00 -0.52 0.00 0.00 52.55 53.16 2wgq s ASP 678 Cb -0.01 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 2wgq s ASP 678 CO -0.02 -1.97 0.13 0.00 0.52 0.00 0.00 175.17 173.83 2wgq s ALA 679 N 7.84 3.72 -0.07 3.66 0.00 -1.26 -1.02 121.76 134.63 2wgq s ALA 679 Ca 0.77 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.80 2wgq s ALA 679 Cb -0.19 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.37 2wgq s ALA 679 CO 0.29 0.75 -0.19 0.08 0.00 0.00 0.00 175.76 176.69 2wgq s VAL 680 N -1.46 1.61 -0.16 0.00 1.01 0.17 -4.15 120.40 117.41 2wgq s VAL 680 Ca 0.31 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2wgq s VAL 680 Cb -0.12 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2wgq s VAL 680 CO 0.24 0.46 0.04 -0.69 0.00 0.00 0.00 175.10 175.15 2wgq s VAL 681 N 0.26 4.57 -0.14 2.92 1.01 -0.41 -0.47 120.40 128.14 2wgq s VAL 681 Ca -0.11 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2wgq s VAL 681 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2wgq s VAL 681 CO 0.05 0.50 -0.19 0.26 0.00 0.00 0.00 175.10 175.71 2wgq s TRP 682 N 0.13 2.71 -0.24 5.22 0.52 -0.78 0.75 118.94 127.24 2wgq s TRP 682 Ca 0.03 -1.12 -0.05 0.00 0.02 0.00 0.00 56.10 54.99 2wgq s TRP 682 Cb -0.13 -1.83 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 2wgq s TRP 682 CO 0.01 -0.49 0.01 -1.64 0.02 0.00 0.00 176.95 174.86 2wgq s MET 683 N 0.70 3.39 -0.28 4.98 -1.94 0.52 -1.74 119.30 124.92 2wgq s MET 683 Ca -0.09 -0.64 -0.11 0.00 -1.71 0.00 0.00 55.69 53.15 2wgq s MET 683 Cb -0.16 -3.16 -0.04 0.00 2.01 0.00 0.00 34.83 33.48 2wgq s MET 683 CO 0.01 -0.24 0.19 0.99 -0.01 0.00 0.00 175.02 175.95 2wgq s THR 684 N 1.51 5.22 -0.00 2.05 2.01 -0.32 -1.21 115.64 124.90 2wgq s THR 684 Ca 0.05 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.23 2wgq s THR 684 Cb -0.15 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2wgq s THR 684 CO -0.00 0.23 -0.26 0.28 -0.69 0.00 0.00 174.62 174.17 2wgq s THR 685 N 1.74 2.08 0.04 -0.82 -1.32 -0.43 -4.38 115.64 112.55 2wgq s THR 685 Ca 0.07 -1.18 -0.16 0.00 -1.21 0.00 0.00 61.69 59.22 2wgq s THR 685 Cb -0.16 -1.74 0.03 0.00 -1.51 0.00 0.00 72.50 69.12 2wgq s THR 685 CO 0.10 0.53 0.35 -0.83 -2.21 0.00 0.00 174.62 172.57 2wgq s GLY 686 N -0.76 -0.19 0.22 6.08 0.00 -1.26 -0.11 107.32 111.29 2wgq s GLY 686 Ca 0.10 0.14 0.11 0.00 0.00 0.00 0.00 44.72 45.08 2wgq s GLY 686 CO -0.00 -0.09 -0.19 -0.51 0.00 0.00 0.00 173.10 172.31 2wgq s THR 687 N -2.53 2.60 -0.27 0.90 -4.23 0.33 -1.61 115.64 110.84 2wgq s THR 687 Ca -0.05 -2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 58.33 2wgq s THR 687 Cb -0.01 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 2wgq s THR 687 CO -0.03 -0.20 0.10 -0.89 -0.54 0.00 0.00 174.62 173.07 2wgq s THR 688 N -1.91 4.44 -0.43 3.99 2.01 -0.64 -1.49 115.64 121.60 2wgq s THR 688 Ca 0.24 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.85 2wgq s THR 688 Cb -0.07 -3.15 0.06 0.00 0.01 0.00 0.00 72.50 69.34 2wgq s THR 688 CO 0.13 0.23 0.32 -2.28 -0.69 0.00 0.00 174.62 172.33 2wgq s HIS 689 N 1.62 3.27 -0.25 4.92 5.04 0.14 -4.04 115.29 125.98 2wgq s HIS 689 Ca 0.06 -1.02 -0.07 0.00 -1.54 0.00 0.00 55.06 52.48 2wgq s HIS 689 Cb -0.16 -2.91 -0.03 0.00 0.04 0.00 0.00 32.58 29.52 2wgq s HIS 689 CO 0.05 -0.75 0.07 0.08 -2.34 0.00 0.00 174.74 171.85 2wgq s VAL 690 N 1.58 4.34 0.76 0.89 1.01 -1.26 -3.09 120.40 124.63 2wgq s VAL 690 Ca 0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 2wgq s VAL 690 Cb -0.22 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.17 2wgq s VAL 690 CO 0.06 0.34 1.09 0.00 0.00 0.00 0.00 175.10 176.59 2wgq s ALA 691 N 1.60 2.50 0.10 5.51 0.00 -1.26 -5.04 121.76 125.17 2wgq s ALA 691 Ca 0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 2wgq s ALA 691 Cb -0.15 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2wgq s ALA 691 CO 0.04 -1.48 0.28 -0.98 0.00 0.00 0.00 175.76 173.61 2wgq s ARG 692 N -5.20 0.91 0.45 0.00 1.70 -1.26 -4.65 118.95 110.90 2wgq s ARG 692 Ca 0.60 -0.81 0.16 0.00 -0.47 0.00 0.00 55.73 55.20 2wgq s ARG 692 Cb -0.13 0.39 1.10 0.00 -0.57 0.00 0.00 34.95 35.74 2wgq s ARG 692 CO 0.54 -0.32 1.98 0.00 -1.08 0.00 0.00 175.30 176.42 2wgq h ALA 693 N 2.68 2.10 0.00 7.88 0.00 -1.87 -0.42 119.26 129.64 2wgq h ALA 693 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wgq h ALA 693 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2wgq h ALA 693 CO 0.52 -0.24 0.00 0.93 0.00 0.00 0.00 179.25 180.45 2wgq h GLU 694 N 0.32 0.00 -0.69 0.00 3.07 -1.96 -2.33 114.58 112.99 2wgq h GLU 694 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2wgq h GLU 694 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2wgq h GLU 694 CO -0.07 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.93 2wgq n GLU 695 N -2.41 3.48 -4.27 2.33 1.02 -0.17 -4.65 120.64 115.98 2wgq n GLU 695 Ca -0.00 -2.83 -0.21 0.00 -0.02 0.00 0.00 57.16 54.10 2wgq n GLU 695 Cb 0.14 -1.82 -0.16 0.00 -0.02 0.00 0.00 31.44 29.58 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 -1.62 0.89 -2.39 -0.32 -0.11 -0.88 -2.81 118.94 111.70 2wgq s TRP 696 Ca 0.51 -0.27 0.22 0.00 1.22 0.00 0.00 56.10 57.78 2wgq s TRP 696 Cb 0.31 -0.74 0.63 0.00 -1.50 0.00 0.00 33.47 32.17 2wgq s TRP 696 CO 0.27 -0.20 1.49 -0.35 -4.62 0.00 0.00 176.95 173.54 2wgq n PRO 697 N 3.96 2.00 -3.88 5.86 -0.04 -1.26 -5.02 135.00 136.62 2wgq n PRO 697 Ca -0.25 -1.50 -0.15 0.00 -0.04 0.00 0.00 63.50 61.56 2wgq n PRO 697 Cb 0.51 -1.44 -0.15 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.72 0.06 -0.42 0.52 2.07 -1.21 -4.72 121.20 115.77 2wgq s ILE 698 Ca 0.34 0.08 -0.25 0.00 -1.41 0.00 0.00 60.65 59.42 2wgq s ILE 698 Cb 0.19 -0.14 0.02 0.00 0.13 0.00 0.00 42.46 42.67 2wgq s ILE 698 CO 0.28 0.08 0.87 -0.32 -1.91 0.00 0.00 174.94 173.94 2wgq s MET 699 N 0.65 3.60 0.28 3.50 -2.45 0.19 -4.62 119.30 120.46 2wgq s MET 699 Ca -0.06 0.21 -0.28 0.00 -1.25 0.00 0.00 55.69 54.31 2wgq s MET 699 Cb -0.09 -3.88 -0.14 0.00 1.25 0.00 0.00 34.83 31.97 2wgq s MET 699 CO -0.02 -1.08 0.95 -2.30 1.05 0.00 0.00 175.02 173.62 2wgq n PRO 700 N 6.85 1.19 -1.68 4.11 -0.02 -1.26 -3.62 135.00 140.57 2wgq n PRO 700 Ca 0.05 0.42 -0.46 0.00 -2.02 0.00 0.00 63.50 61.48 2wgq n PRO 700 Cb 0.48 -1.75 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 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 0.16 0.44 -3.95 3.45 -1.04 -1.26 -4.82 114.28 107.26 2wgq n THR 701 Ca 0.11 -0.08 -0.31 0.00 -2.04 0.00 0.00 64.05 61.72 2wgq n THR 701 Cb 0.31 -1.88 -0.05 0.00 -1.82 0.00 0.00 70.33 66.89 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 3.18 3.31 0.03 -2.82 0.41 -0.26 -4.89 118.70 117.66 2wgq s GLU 702 Ca 0.87 -0.48 0.06 0.00 -0.41 0.00 0.00 54.97 55.01 2wgq s GLU 702 Cb -0.63 -2.98 -0.02 0.00 -1.78 0.00 0.00 34.13 28.72 2wgq s GLU 702 CO 0.45 0.61 -0.16 -1.58 -0.49 0.00 0.00 175.26 174.09 2wgq s TRP 703 N -1.45 1.45 0.17 1.61 0.52 -1.26 -0.69 118.94 119.28 2wgq s TRP 703 Ca 0.33 -0.34 0.10 0.00 0.02 0.00 0.00 56.10 56.21 2wgq s TRP 703 Cb -0.13 -0.88 -0.04 0.00 -1.15 0.00 0.00 33.47 31.27 2wgq s TRP 703 CO 0.25 0.04 -0.21 0.14 0.02 0.00 0.00 176.95 177.19 2wgq s VAL 704 N -0.71 2.06 -0.02 4.03 -7.23 0.01 -0.38 120.40 118.16 2wgq s VAL 704 Ca 0.04 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.35 2wgq s VAL 704 Cb -0.08 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 2wgq s VAL 704 CO 0.01 -0.18 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.44 2wgq s HIS 705 N -1.74 1.64 0.19 2.82 0.09 0.16 -1.44 115.29 117.01 2wgq s HIS 705 Ca 0.17 -0.36 0.05 0.00 -0.00 0.00 0.00 55.06 54.91 2wgq s HIS 705 Cb -0.07 -1.07 -0.05 0.00 -0.00 0.00 0.00 32.58 31.38 2wgq s HIS 705 CO 0.08 -0.07 -0.07 0.95 -0.00 0.00 0.00 174.74 175.62 2wgq s THR 706 N -0.28 1.23 -0.11 1.30 -4.23 -0.41 -0.51 115.64 112.63 2wgq s THR 706 Ca 0.04 -2.08 -0.12 0.00 -1.18 0.00 0.00 61.69 58.35 2wgq s THR 706 Cb -0.08 -2.06 0.03 0.00 1.34 0.00 0.00 72.50 71.73 2wgq s THR 706 CO 0.00 -0.57 0.32 -0.22 -0.54 0.00 0.00 174.62 173.61 2wgq s LEU 707 N -3.25 0.78 -0.14 4.79 2.96 -0.55 -2.01 118.68 121.26 2wgq s LEU 707 Ca 0.22 0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 54.71 2wgq s LEU 707 Cb 0.03 1.12 0.03 0.00 0.50 0.00 0.00 46.19 47.88 2wgq s LEU 707 CO 0.05 -0.15 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.10 2wgq s LEU 708 N -0.00 1.44 -0.08 -0.68 1.43 -0.08 -0.26 118.68 120.46 2wgq s LEU 708 Ca -0.02 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2wgq s LEU 708 Cb -0.03 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 2wgq s LEU 708 CO 0.01 -0.16 -0.19 -0.54 0.23 0.00 0.00 176.35 175.70 2wgq s LYS 709 N 1.66 2.78 0.31 1.70 1.02 0.01 -0.51 119.74 126.71 2wgq s LYS 709 Ca 0.02 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 2wgq s LYS 709 Cb -0.14 -2.35 -0.10 0.00 -0.52 0.00 0.00 37.83 34.72 2wgq s LYS 709 CO -0.08 0.39 1.31 -1.25 -0.92 0.00 0.00 175.35 174.80 2wgq s PRO 710 N -0.15 4.36 -0.34 -1.68 0.04 -1.26 0.27 135.00 136.25 2wgq s PRO 710 Ca -0.03 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2wgq s PRO 710 Cb -0.14 -3.09 0.10 0.00 0.04 0.00 0.00 34.50 31.41 2wgq s PRO 710 CO 0.04 -0.20 0.10 -0.46 0.04 0.00 0.00 177.00 176.51 2wgq s TRP 711 N -0.89 2.55 -1.83 0.56 -0.11 0.76 -4.70 118.94 115.29 2wgq s TRP 711 Ca 0.51 -2.32 0.00 0.00 1.22 0.00 0.00 56.10 55.51 2wgq s TRP 711 Cb -0.39 -2.22 0.00 0.00 -1.50 0.00 0.00 33.47 29.36 2wgq s TRP 711 CO 0.50 -0.89 0.00 0.09 -4.62 0.00 0.00 176.95 172.03 2wgq n ASN 712 N 4.46 -5.76 0.08 5.86 3.02 -1.26 -1.97 115.26 119.70 2wgq n ASN 712 Ca 0.01 0.08 -0.11 0.00 -0.03 0.00 0.00 54.58 54.54 2wgq n ASN 712 Cb 0.41 -4.84 -0.03 0.00 -0.61 0.00 0.00 39.78 34.71 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 0.42 -0.88 3.10 3.57 -1.84 -3.32 116.94 117.99 2wgq h PHE 713 Ca -0.48 -0.23 -0.60 0.00 3.53 0.00 0.00 57.97 60.19 2wgq h PHE 713 Cb 1.36 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.97 2wgq h PHE 713 CO 0.57 1.05 -0.43 -0.06 -2.23 0.00 0.00 178.31 177.21 2wgq s PHE 714 N -3.21 2.04 -1.74 0.41 0.08 -1.26 -4.83 117.98 109.46 2wgq s PHE 714 Ca -0.04 -0.78 0.18 0.00 0.12 0.00 0.00 56.93 56.41 2wgq s PHE 714 Cb 0.09 -1.85 0.02 0.00 -0.57 0.00 0.00 43.02 40.71 2wgq s PHE 714 CO 0.84 -0.05 0.95 -0.25 -0.10 0.00 0.00 175.22 176.61 2wgq n ASP 715 N -1.44 1.87 -3.66 1.36 8.00 -1.26 -4.87 116.55 116.56 2wgq n ASP 715 Ca -0.06 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.00 2wgq n ASP 715 Cb 0.65 0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 42.14 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 -1.97 0.63 -0.41 -1.24 -1.05 -1.26 -4.96 118.70 108.44 2wgq s GLU 716 Ca 0.16 -0.35 -0.23 0.00 -0.15 0.00 0.00 54.97 54.39 2wgq s GLU 716 Cb 0.15 0.21 -0.12 0.00 -0.44 0.00 0.00 34.13 33.93 2wgq s GLU 716 CO 0.41 -0.29 1.40 2.41 0.95 0.00 0.00 175.26 180.14 2wgq n THR 717 N -0.50 0.00 1.15 1.83 -1.04 -1.26 -4.73 114.28 109.73 2wgq n THR 717 Ca -0.07 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.04 2wgq n THR 717 Cb 0.62 -0.30 0.57 0.00 -1.82 0.00 0.00 70.33 69.40 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 4.68 0.50 -0.50 -2.82 -0.02 -1.26 -2.86 135.00 132.72 2wgq n PRO 718 Ca 0.35 0.04 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 2wgq n PRO 718 Cb -0.01 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.11 2.08 0.10 3.45 -2.24 -1.26 -4.47 114.28 110.83 2wgq n THR 719 Ca 0.13 -1.55 -0.05 0.00 -2.27 0.00 0.00 64.05 60.31 2wgq n THR 719 Cb 0.11 -0.07 0.08 0.00 -2.10 0.00 0.00 70.33 68.35 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 2.55 0.15 0.00 3.22 3.38 -1.90 -3.50 115.31 119.21 2wgq h LEU 720 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2wgq h LEU 720 Cb 1.41 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2wgq h LEU 720 CO 0.23 0.81 0.00 0.61 0.09 0.00 0.00 178.44 180.18 2wgq n GLY 721 N 0.50 1.77 3.72 0.83 0.00 -1.26 -5.03 105.19 105.72 2wgq n GLY 721 Ca -0.02 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 2wgq n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgq s ALA 722 N -2.31 1.89 0.45 4.61 0.00 -1.26 -5.02 121.76 120.12 2wgq s ALA 722 Ca 0.00 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.28 2wgq s ALA 722 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 2wgq s ALA 722 CO 0.00 -2.21 1.08 -0.51 0.00 0.00 0.00 175.76 174.11 2wgq s LEU 723 N -6.02 4.00 0.00 0.00 1.43 -1.26 -5.26 118.68 111.57 2wgq s LEU 723 Ca 0.66 2.07 0.05 0.00 -1.03 0.00 0.00 54.13 55.89 2wgq s LEU 723 Cb -0.22 -4.33 0.30 0.00 0.03 0.00 0.00 46.19 41.97 2wgq s LEU 723 CO 0.54 -0.71 0.77 0.29 0.23 0.00 0.00 176.35 177.47