#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2min s GLN 3 N 0.00 0.62 -0.23 1.43 -1.52 -1.26 -4.98 119.66 113.72 2min s GLN 3 Ca 0.00 -0.60 -0.14 0.00 -1.95 0.00 0.00 55.36 52.67 2min s GLN 3 Cb 0.00 -0.52 -0.04 0.00 -0.22 0.00 0.00 33.01 32.23 2min s GLN 3 CO 0.00 0.12 0.34 -0.65 -0.25 0.00 0.00 175.29 174.85 2min s GLN 4 N -1.04 4.11 0.59 2.91 -0.21 -1.26 -4.99 119.66 119.77 2min s GLN 4 Ca -0.03 0.06 0.35 0.00 0.02 0.00 0.00 55.36 55.76 2min s GLN 4 Cb -0.07 -3.57 1.85 0.00 1.00 0.00 0.00 33.01 32.22 2min s GLN 4 CO 0.00 -0.08 2.19 -0.24 -2.12 0.00 0.00 175.29 175.05 2min h VAL 5 N 5.12 0.25 0.00 1.09 3.04 -2.00 -0.90 116.25 122.84 2min h VAL 5 Ca -0.35 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2min h VAL 5 Cb 1.16 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 2min h VAL 5 CO 0.68 0.04 -0.37 -2.24 -1.01 0.00 0.00 177.57 174.67 2min h ASP 6 N 0.00 0.00 -2.23 3.17 2.03 -2.07 -3.38 116.42 113.94 2min h ASP 6 Ca -0.00 -0.01 -0.58 0.00 -0.73 0.00 0.00 57.03 55.71 2min h ASP 6 Cb 0.20 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 38.31 2min h ASP 6 CO 0.00 0.00 -0.99 1.17 -1.03 0.00 0.00 179.24 178.39 2min n LYS 7 N -2.88 0.65 -2.06 4.15 4.81 -0.36 -5.11 118.16 117.35 2min n LYS 7 Ca 0.03 -3.35 -0.42 0.00 -0.87 0.00 0.00 58.31 53.70 2min n LYS 7 Cb 0.53 -1.53 -0.03 0.00 0.02 0.00 0.00 35.03 34.02 2min n LYS 7 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2min s ILE 8 N -0.73 2.95 -0.20 3.15 -1.09 -1.15 -4.16 121.20 119.97 2min s ILE 8 Ca 0.34 0.70 -0.09 0.00 -2.23 0.00 0.00 60.65 59.37 2min s ILE 8 Cb 0.10 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 2min s ILE 8 CO -0.15 0.07 0.10 -0.54 -1.23 0.00 0.00 174.94 173.18 2min s LYS 9 N 0.84 4.04 1.04 2.79 1.02 -1.26 -5.06 119.74 123.14 2min s LYS 9 Ca 0.65 -0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.17 2min s LYS 9 Cb -0.40 -3.32 0.24 0.00 -0.52 0.00 0.00 37.83 33.83 2min s LYS 9 CO 0.33 0.23 1.32 0.00 -0.92 0.00 0.00 175.35 176.30 2min s ALA 10 N 0.52 1.89 0.23 5.17 0.00 -1.26 -4.66 121.76 123.65 2min s ALA 10 Ca 0.05 -1.28 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 2min s ALA 10 Cb -0.12 -2.75 0.35 0.00 0.00 0.00 0.00 23.12 20.59 2min s ALA 10 CO 0.00 -2.79 1.63 0.66 0.00 0.00 0.00 175.76 175.27 2min h SER 11 N -1.92 -0.43 -3.67 0.00 4.64 -1.99 -1.25 113.55 108.92 2min h SER 11 Ca -0.44 0.19 -0.62 0.00 -0.47 0.00 0.00 61.79 60.45 2min h SER 11 Cb 1.22 0.36 -0.14 0.00 -0.31 0.00 0.00 62.40 63.53 2min h SER 11 CO 0.31 -0.18 -0.25 -0.47 -0.87 0.00 0.00 176.83 175.37 2min s TYR 12 N -6.16 3.27 -1.65 4.77 5.04 -1.26 -1.49 117.35 119.86 2min s TYR 12 Ca -0.14 0.43 0.21 0.00 -2.44 0.00 0.00 57.07 55.14 2min s TYR 12 Cb 0.21 -2.55 0.68 0.00 0.35 0.00 0.00 41.96 40.65 2min s TYR 12 CO 0.75 -0.17 1.58 -0.35 -1.34 0.00 0.00 175.55 176.01 2min n PRO 13 N 5.12 3.13 -0.27 4.97 -0.04 -1.14 -5.02 135.00 141.77 2min n PRO 13 Ca -0.09 -2.76 0.08 0.00 -0.04 0.00 0.00 63.50 60.69 2min n PRO 13 Cb 0.51 -1.70 0.22 0.00 -0.04 0.00 0.00 33.50 32.49 2min n PRO 13 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2min h LEU 14 N 4.24 0.13 0.00 1.53 5.85 -0.11 -0.99 115.31 125.96 2min h LEU 14 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2min h LEU 14 Cb 1.17 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2min h LEU 14 CO 0.09 -0.01 0.00 0.49 -0.34 0.00 0.00 178.44 178.67 2min n PHE 15 N -5.11 0.00 0.92 1.25 3.72 -0.84 -1.46 117.46 115.94 2min n PHE 15 Ca 0.16 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.68 2min n PHE 15 Cb 0.51 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 39.29 2min n PHE 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2min n LEU 16 N -0.94 0.52 -4.74 4.37 4.77 -0.37 -4.01 117.00 116.60 2min n LEU 16 Ca 0.16 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 2min n LEU 16 Cb 0.07 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2min n LEU 16 CO 0.12 0.09 1.04 0.47 -1.33 0.00 0.00 177.39 177.78 2min n ASP 17 N -1.61 3.34 -0.25 -1.43 8.00 -0.53 -4.74 116.55 119.32 2min n ASP 17 Ca 0.05 1.21 0.05 0.00 0.71 0.00 0.00 54.79 56.81 2min n ASP 17 Cb 0.36 -1.56 0.16 0.00 -0.02 0.00 0.00 41.12 40.06 2min n ASP 17 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2min h GLN 18 N 2.89 0.13 -0.50 -1.24 5.75 -1.90 0.53 115.11 120.77 2min h GLN 18 Ca -0.48 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 2min h GLN 18 Cb 1.26 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 2min h GLN 18 CO 0.64 0.09 0.17 0.38 -2.65 0.00 0.00 178.83 177.46 2min h ASP 19 N 0.14 0.67 -0.23 -0.69 2.03 -1.96 0.00 116.42 116.37 2min h ASP 19 Ca 0.41 -0.09 -0.19 0.00 -0.73 0.00 0.00 57.03 56.43 2min h ASP 19 Cb 0.71 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 2min h ASP 19 CO -0.62 0.63 -0.60 1.88 -1.03 0.00 0.00 179.24 179.51 2min h TYR 20 N 0.72 1.05 -0.54 4.15 0.05 -1.27 -1.16 116.97 119.96 2min h TYR 20 Ca 0.17 -0.40 0.02 0.00 0.05 0.00 0.00 58.73 58.56 2min h TYR 20 Cb 0.19 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 2min h TYR 20 CO 0.01 1.23 0.33 -0.22 -1.05 0.00 0.00 178.16 178.46 2min h LYS 21 N 0.57 0.65 -0.46 4.88 3.64 -0.60 0.90 116.57 126.15 2min h LYS 21 Ca -0.01 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 2min h LYS 21 Cb 1.21 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2min h LYS 21 CO 0.13 0.43 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.20 2min h ASP 22 N 0.67 0.87 -0.80 4.20 3.32 -0.96 -1.44 116.42 122.28 2min h ASP 22 Ca 0.21 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2min h ASP 22 Cb -0.01 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 2min h ASP 22 CO -0.08 1.03 0.50 -0.03 -1.72 0.00 0.00 179.24 178.93 2min h MET 23 N 0.71 1.08 -0.40 3.56 4.05 -0.52 -0.81 114.93 122.60 2min h MET 23 Ca 0.12 -0.09 -0.14 0.00 -0.28 0.00 0.00 59.70 59.31 2min h MET 23 Cb 0.63 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2min h MET 23 CO 0.04 0.75 -0.30 -0.07 0.23 0.00 0.00 176.91 177.56 2min h LEU 24 N 1.10 0.92 -1.01 3.39 3.38 -0.62 -1.04 115.31 121.42 2min h LEU 24 Ca 0.29 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2min h LEU 24 Cb -0.07 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 2min h LEU 24 CO -0.06 1.14 0.44 0.00 0.09 0.00 0.00 178.44 180.06 2min h ALA 25 N 0.91 1.24 -0.30 1.53 0.00 -0.85 -1.78 119.26 120.02 2min h ALA 25 Ca 0.08 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2min h ALA 25 Cb 0.86 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2min h ALA 25 CO 0.08 0.61 -0.49 0.87 0.00 0.00 0.00 179.25 180.32 2min h LYS 26 N 1.14 0.82 -0.24 0.00 1.57 -0.81 -1.30 116.57 117.75 2min h LYS 26 Ca 0.29 -0.48 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2min h LYS 26 Cb 0.03 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2min h LYS 26 CO -0.05 1.11 0.08 -0.22 -0.57 0.00 0.00 179.45 179.81 2min h LYS 27 N 0.64 0.19 0.53 3.15 3.64 -0.87 0.10 116.57 123.96 2min h LYS 27 Ca 0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2min h LYS 27 Cb 1.07 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2min h LYS 27 CO 0.11 0.13 -0.30 -0.09 -2.27 0.00 0.00 179.45 177.02 2min h ARG 28 N 0.20 -0.75 -0.35 1.90 2.43 -1.26 -1.48 114.38 115.06 2min h ARG 28 Ca 0.11 0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2min h ARG 28 Cb 0.07 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2min h ARG 28 CO -0.11 -0.50 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.18 2min h ASP 29 N -0.78 0.71 0.00 -3.80 3.32 -1.00 -1.67 116.42 113.19 2min h ASP 29 Ca -0.07 -0.25 -0.22 0.00 0.02 0.00 0.00 57.03 56.52 2min h ASP 29 Cb 0.63 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 40.00 2min h ASP 29 CO 0.08 0.92 -0.84 1.23 -1.72 0.00 0.00 179.24 178.91 2min h GLY 30 N 0.98 0.64 0.00 2.75 0.00 -0.77 -3.43 103.07 103.23 2min h GLY 30 Ca 0.09 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.30 2min h GLY 30 CO 0.06 0.99 -0.09 0.69 0.00 0.00 0.00 176.54 178.18 2min n PHE 31 N -4.02 0.00 0.22 5.60 3.72 -0.56 -4.82 117.46 117.60 2min n PHE 31 Ca -0.11 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.41 2min n PHE 31 Cb 0.79 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.44 2min n PHE 31 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2min h GLU 32 N 0.00 0.00 -6.39 -1.08 5.08 -1.26 -3.48 114.58 107.45 2min h GLU 32 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 2min h GLU 32 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2min h GLU 32 CO 0.00 0.00 -0.86 0.39 -1.00 0.00 0.00 179.01 177.54 2min n GLU 33 N -2.81 -3.85 -2.45 2.33 1.02 -1.25 -4.90 120.64 108.72 2min n GLU 33 Ca 0.02 0.47 -0.36 0.00 -0.02 0.00 0.00 57.16 57.27 2min n GLU 33 Cb 0.53 -4.79 -0.03 0.00 -0.02 0.00 0.00 31.44 27.12 2min n GLU 33 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2min s LYS 34 N -6.43 3.98 0.50 3.49 2.20 -1.26 -5.00 119.74 117.22 2min s LYS 34 Ca 0.09 1.57 -0.23 0.00 -0.36 0.00 0.00 55.97 57.04 2min s LYS 34 Cb -0.05 -2.43 -0.06 0.00 -1.51 0.00 0.00 37.83 33.78 2min s LYS 34 CO 0.87 -0.32 1.36 0.71 -0.36 0.00 0.00 175.35 177.61 2min s TYR 35 N -1.67 2.42 0.43 4.03 2.02 -1.26 -4.95 117.35 118.37 2min s TYR 35 Ca 0.61 1.36 -0.26 0.00 -0.37 0.00 0.00 57.07 58.41 2min s TYR 35 Cb -0.23 -3.79 -0.09 0.00 -0.40 0.00 0.00 41.96 37.45 2min s TYR 35 CO 0.29 -2.73 1.39 -2.30 -1.57 0.00 0.00 175.55 170.62 2min n PRO 36 N -0.66 2.20 -0.36 -1.71 -0.02 -1.26 -4.83 135.00 128.37 2min n PRO 36 Ca 0.08 0.78 0.06 0.00 -2.02 0.00 0.00 63.50 62.40 2min n PRO 36 Cb 0.44 -2.56 0.23 0.00 -0.02 0.00 0.00 33.50 31.59 2min n PRO 36 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2min h GLN 37 N 2.30 0.96 -0.98 -0.52 5.75 -1.99 0.37 115.11 121.00 2min h GLN 37 Ca -0.50 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 57.99 2min h GLN 37 Cb 1.27 -0.22 -0.06 0.00 1.07 0.00 0.00 27.48 29.55 2min h GLN 37 CO 0.61 0.64 0.64 0.38 -2.65 0.00 0.00 178.83 178.45 2min h ASP 38 N 0.99 1.04 -0.12 -0.69 2.03 -2.00 0.12 116.42 117.80 2min h ASP 38 Ca 0.48 -0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.61 2min h ASP 38 Cb 0.45 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 38.71 2min h ASP 38 CO -0.26 0.70 -0.52 0.50 -1.03 0.00 0.00 179.24 178.63 2min h LYS 39 N 1.20 0.70 -0.43 4.15 3.11 -1.31 -1.78 116.57 122.21 2min h LYS 39 Ca 0.40 -0.43 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2min h LYS 39 Cb 0.06 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 2min h LYS 39 CO -0.14 1.05 0.28 0.82 -2.81 0.00 0.00 179.45 178.65 2min h ILE 40 N 0.54 1.12 -0.58 2.00 2.04 -0.48 -0.40 117.51 121.75 2min h ILE 40 Ca 0.02 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2min h ILE 40 Cb 1.09 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2min h ILE 40 CO 0.11 0.12 0.31 0.44 0.00 0.00 0.00 178.15 179.12 2min h ASP 41 N 0.58 0.74 -0.10 1.72 3.32 -0.89 0.33 116.42 122.11 2min h ASP 41 Ca 0.16 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.13 2min h ASP 41 Cb -0.04 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2min h ASP 41 CO -0.03 0.63 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.96 2min h GLU 42 N 0.79 -0.09 -0.60 3.56 4.81 -0.80 0.52 114.58 122.76 2min h GLU 42 Ca 0.20 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2min h GLU 42 Cb 0.07 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2min h GLU 42 CO -0.03 -0.06 0.00 0.28 -0.73 0.00 0.00 179.01 178.47 2min h VAL 43 N -0.10 1.26 -0.36 0.32 2.07 -0.79 -1.02 116.25 117.64 2min h VAL 43 Ca 0.07 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.47 2min h VAL 43 Cb 0.20 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2min h VAL 43 CO -0.16 0.42 0.19 0.15 0.02 0.00 0.00 177.57 178.18 2min h PHE 44 N 0.96 0.34 -0.64 1.57 3.57 -0.47 0.27 116.94 122.54 2min h PHE 44 Ca 0.17 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 2min h PHE 44 Cb 0.55 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2min h PHE 44 CO 0.04 0.19 0.06 0.37 -2.23 0.00 0.00 178.31 176.74 2min h GLN 45 N 0.38 1.10 -0.87 1.11 5.75 -0.72 -2.37 115.11 119.49 2min h GLN 45 Ca 0.15 -0.32 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2min h GLN 45 Cb 0.05 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 2min h GLN 45 CO -0.10 1.03 0.57 2.35 -2.65 0.00 0.00 178.83 180.03 2min h TRP 46 N 1.01 1.07 0.00 3.99 7.01 -0.69 -1.66 115.95 126.68 2min h TRP 46 Ca 0.19 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.22 2min h TRP 46 Cb 0.50 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 2min h TRP 46 CO 0.04 0.64 0.00 0.25 -2.79 0.00 0.00 178.44 176.57 2min n THR 47 N -4.52 0.66 1.02 2.65 -2.24 0.04 -2.02 114.28 109.87 2min n THR 47 Ca 0.10 0.16 0.11 0.00 -2.27 0.00 0.00 64.05 62.16 2min n THR 47 Cb 0.06 -0.96 0.08 0.00 -2.10 0.00 0.00 70.33 67.41 2min n THR 47 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2min n THR 48 N -1.28 0.00 -2.15 4.28 -2.24 -0.63 -4.83 114.28 107.43 2min n THR 48 Ca 0.06 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.55 2min n THR 48 Cb 0.10 0.64 0.07 0.00 -2.10 0.00 0.00 70.33 69.04 2min n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2min s THR 49 N -2.94 2.35 0.29 4.28 -4.23 -0.86 -4.39 115.64 110.15 2min s THR 49 Ca 0.11 -0.18 0.04 0.00 -1.18 0.00 0.00 61.69 60.48 2min s THR 49 Cb 0.17 -3.05 0.06 0.00 1.34 0.00 0.00 72.50 71.03 2min s THR 49 CO 0.75 -0.05 1.72 0.11 -0.54 0.00 0.00 174.62 176.62 2min h LYS 50 N -0.66 0.39 -0.16 3.99 1.79 -1.94 -2.02 116.57 117.96 2min h LYS 50 Ca -0.45 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 2min h LYS 50 Cb 1.31 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2min h LYS 50 CO 0.62 0.66 0.10 0.93 -1.08 0.00 0.00 179.45 180.67 2min h GLU 51 N 0.34 0.19 -0.60 3.15 3.07 -1.94 -0.65 114.58 118.14 2min h GLU 51 Ca 0.05 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 2min h GLU 51 Cb 0.70 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 2min h GLU 51 CO 0.05 0.13 0.40 -0.92 -1.40 0.00 0.00 179.01 177.27 2min h TYR 52 N 0.20 0.76 -0.49 4.33 3.20 -1.72 -2.41 116.97 120.84 2min h TYR 52 Ca 0.06 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2min h TYR 52 Cb -0.01 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 37.96 2min h TYR 52 CO -0.07 0.48 0.27 0.37 -1.64 0.00 0.00 178.16 177.56 2min h GLN 53 N 0.81 0.52 -0.29 1.82 4.15 -0.69 0.49 115.11 121.93 2min h GLN 53 Ca 0.22 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.66 2min h GLN 53 Cb -0.10 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.43 2min h GLN 53 CO -0.05 0.34 -0.04 0.93 -1.93 0.00 0.00 178.83 178.09 2min h GLU 54 N 0.54 0.04 -0.94 1.69 5.08 -0.74 0.86 114.58 121.10 2min h GLU 54 Ca 0.20 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2min h GLU 54 Cb 0.06 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2min h GLU 54 CO -0.11 0.02 0.62 -0.07 -1.00 0.00 0.00 179.01 178.47 2min h LEU 55 N 0.04 1.06 -0.59 1.33 4.07 -0.92 -2.17 115.31 118.12 2min h LEU 55 Ca 0.14 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 58.01 2min h LEU 55 Cb 0.20 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 2min h LEU 55 CO -0.27 0.75 0.08 -1.13 -1.08 0.00 0.00 178.44 176.80 2min h ASN 56 N 1.24 0.95 0.99 -0.43 -1.24 -0.32 -2.47 115.58 114.29 2min h ASN 56 Ca 0.36 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2min h ASN 56 Cb -0.08 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.72 2min h ASN 56 CO -0.10 0.97 0.00 0.49 -1.29 0.00 0.00 177.43 177.51 2min n PHE 57 N -4.30 0.45 1.66 0.67 3.01 0.24 -2.32 117.46 116.86 2min n PHE 57 Ca 0.03 0.15 0.15 0.00 1.01 0.00 0.00 57.45 58.78 2min n PHE 57 Cb 0.28 -0.74 0.76 0.00 -0.01 0.00 0.00 39.48 39.78 2min n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2min n GLN 58 N -1.88 0.89 -1.70 -1.08 6.02 -0.86 -4.88 117.38 113.88 2min n GLN 58 Ca 0.05 -0.19 -0.44 0.00 -0.01 0.00 0.00 57.00 56.41 2min n GLN 58 Cb 0.31 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 2min n GLN 58 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2min n ARG 59 N -0.89 2.57 -0.04 -1.09 1.74 -0.98 -4.88 116.66 113.08 2min n ARG 59 Ca 0.19 0.93 -0.06 0.00 -0.77 0.00 0.00 57.85 58.14 2min n ARG 59 Cb 0.21 -2.76 -0.05 0.00 -1.02 0.00 0.00 32.46 28.85 2min n ARG 59 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2min n GLU 60 N 4.14 0.79 -0.11 5.56 1.02 -1.26 -4.91 120.64 125.87 2min n GLU 60 Ca 0.17 0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 57.19 2min n GLU 60 Cb 0.33 -1.19 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 2min n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2min n ALA 61 N -2.66 1.51 -2.71 0.62 0.00 -1.26 -4.97 120.51 111.04 2min n ALA 61 Ca -0.16 -0.96 -0.40 0.00 0.00 0.00 0.00 53.44 51.93 2min n ALA 61 Cb 0.69 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 2min n ALA 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2min s LEU 62 N -6.34 4.28 -0.07 0.00 2.96 -1.26 -5.07 118.68 113.17 2min s LEU 62 Ca -0.30 1.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.72 2min s LEU 62 Cb 0.08 -3.04 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 2min s LEU 62 CO 0.51 -0.15 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.49 2min s THR 63 N 1.01 4.12 -0.09 3.68 2.01 -1.26 -4.95 115.64 120.16 2min s THR 63 Ca 0.36 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 2min s THR 63 Cb -0.17 -2.73 0.03 0.00 0.01 0.00 0.00 72.50 69.64 2min s THR 63 CO 0.16 0.58 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.94 2min s VAL 64 N -0.88 0.73 -0.70 3.82 1.01 -1.26 -4.90 120.40 118.21 2min s VAL 64 Ca 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 2min s VAL 64 Cb -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2min s VAL 64 CO 0.03 0.32 0.68 0.59 0.00 0.00 0.00 175.10 176.72 2min n ASN 65 N 5.00 -7.68 -4.67 3.32 3.02 -1.26 -3.05 115.26 109.95 2min n ASN 65 Ca -0.10 -0.04 -0.30 0.00 -0.03 0.00 0.00 54.58 54.10 2min n ASN 65 Cb 0.50 -5.14 0.16 0.00 -0.61 0.00 0.00 39.78 34.70 2min n ASN 65 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2min s PRO 66 N -3.04 0.94 -0.42 3.52 0.04 -1.26 -1.44 135.00 133.34 2min s PRO 66 Ca 0.03 1.27 0.09 0.00 0.04 0.00 0.00 61.00 62.43 2min s PRO 66 Cb -0.01 -1.74 0.41 0.00 0.04 0.00 0.00 34.50 33.20 2min s PRO 66 CO 0.76 -2.59 1.00 0.00 0.04 0.00 0.00 177.00 176.21 2min n ALA 67 N -4.18 4.26 -3.63 8.56 0.00 -1.26 -4.77 120.51 119.49 2min n ALA 67 Ca 0.09 -3.97 -0.05 0.00 0.00 0.00 0.00 53.44 49.51 2min n ALA 67 Cb 0.53 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 2min n ALA 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2min s LYS 68 N -3.31 0.93 0.00 0.00 -2.85 -1.26 -4.42 119.74 108.83 2min s LYS 68 Ca 0.42 -0.45 0.00 0.00 -1.00 0.00 0.00 55.97 54.94 2min s LYS 68 Cb 0.39 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.52 2min s LYS 68 CO -0.11 -0.42 0.00 0.00 0.10 0.00 0.00 175.35 174.92 2min n ALA 69 N -0.36 0.00 -2.87 0.59 0.00 -1.26 -5.01 120.51 111.60 2min n ALA 69 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 2min n ALA 69 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 2min n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2min h GLN 71 N 1.29 -0.07 0.00 0.00 4.20 -1.81 -2.32 115.11 116.40 2min h GLN 71 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2min h GLN 71 Cb 1.24 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2min h GLN 71 CO 0.60 -0.04 0.00 -1.00 -0.67 0.00 0.00 178.83 177.72 2min h PRO 72 N -0.07 0.00 -0.45 1.46 0.13 -1.82 -1.46 132.00 129.79 2min h PRO 72 Ca 0.27 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.41 2min h PRO 72 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 2min h PRO 72 CO -0.88 0.00 0.29 1.25 -0.23 0.00 0.00 178.00 178.43 2min h LEU 73 N 0.00 0.48 -0.60 1.56 5.85 -1.74 -1.75 115.31 119.12 2min h LEU 73 Ca 0.00 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 2min h LEU 73 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2min h LEU 73 CO 0.00 0.35 0.10 1.23 -0.34 0.00 0.00 178.44 179.77 2min h GLY 74 N 0.58 1.07 0.87 3.75 0.00 -1.27 -2.57 103.07 105.50 2min h GLY 74 Ca 0.17 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.82 2min h GLY 74 CO -0.05 0.66 0.64 0.00 0.00 0.00 0.00 176.54 177.79 2min h ALA 75 N 1.02 1.30 -0.45 3.60 0.00 -1.27 -0.54 119.26 122.91 2min h ALA 75 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2min h ALA 75 Cb 0.43 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2min h ALA 75 CO 0.01 0.53 0.15 0.28 0.00 0.00 0.00 179.25 180.22 2min h VAL 76 N 1.24 1.22 -0.51 0.00 2.07 -1.09 -0.46 116.25 118.72 2min h VAL 76 Ca 0.39 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 2min h VAL 76 Cb 0.01 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2min h VAL 76 CO -0.13 0.26 0.08 0.25 0.02 0.00 0.00 177.57 178.06 2min h LEU 77 N 0.60 0.81 -0.23 2.57 5.85 -0.96 -1.36 115.31 122.58 2min h LEU 77 Ca 0.15 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2min h LEU 77 Cb 0.24 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2min h LEU 77 CO -0.01 0.86 0.07 0.00 -0.34 0.00 0.00 178.44 179.02 2min h ALA 79 N 1.15 1.00 -0.31 0.00 0.00 -0.80 -1.96 119.26 118.34 2min h ALA 79 Ca 0.10 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2min h ALA 79 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2min h ALA 79 CO -0.12 0.36 0.34 -0.07 0.00 0.00 0.00 179.25 179.77 2min h LEU 80 N 1.02 0.00 0.00 0.00 4.07 -1.06 -2.21 115.31 117.12 2min h LEU 80 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.26 2min h LEU 80 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2min h LEU 80 CO -0.08 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.89 2min n GLY 81 N -1.45 -0.88 3.69 0.83 0.00 -0.74 -4.60 105.19 102.04 2min n GLY 81 Ca 0.05 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2min n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2min s PHE 82 N -2.00 2.96 0.13 1.61 0.40 -0.83 -0.49 117.98 119.76 2min s PHE 82 Ca 0.36 -0.05 -0.31 0.00 -0.60 0.00 0.00 56.93 56.33 2min s PHE 82 Cb 0.17 -1.50 -0.10 0.00 0.51 0.00 0.00 43.02 42.09 2min s PHE 82 CO 0.28 0.49 1.77 -2.00 0.70 0.00 0.00 175.22 176.45 2min s GLU 83 N -2.47 4.15 -1.58 0.44 2.12 0.43 -2.79 118.70 119.00 2min s GLU 83 Ca 0.26 2.55 -0.05 0.00 0.36 0.00 0.00 54.97 58.09 2min s GLU 83 Cb -0.11 -3.47 0.05 0.00 0.26 0.00 0.00 34.13 30.86 2min s GLU 83 CO 0.18 -0.80 0.27 1.63 -0.54 0.00 0.00 175.26 176.01 2min n LYS 84 N 5.25 -1.75 -4.09 4.30 5.02 -1.26 -4.68 118.16 120.95 2min n LYS 84 Ca 0.17 0.21 -0.29 0.00 -2.02 0.00 0.00 58.31 56.38 2min n LYS 84 Cb 0.38 -4.14 -0.07 0.00 -0.02 0.00 0.00 35.03 31.18 2min n LYS 84 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2min s THR 85 N -4.01 4.31 -0.28 -0.18 -4.23 -1.12 -0.42 115.64 109.70 2min s THR 85 Ca 0.19 -0.97 -0.08 0.00 -1.18 0.00 0.00 61.69 59.65 2min s THR 85 Cb -0.11 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.61 2min s THR 85 CO 0.97 0.04 0.11 -0.32 -0.54 0.00 0.00 174.62 174.87 2min s MET 86 N -2.61 3.42 0.19 3.99 1.75 -0.10 -4.86 119.30 121.08 2min s MET 86 Ca 0.29 -0.65 -0.32 0.00 -1.25 0.00 0.00 55.69 53.77 2min s MET 86 Cb -0.11 -3.43 -0.11 0.00 2.84 0.00 0.00 34.83 34.02 2min s MET 86 CO 0.21 -0.33 1.62 -1.25 -0.65 0.00 0.00 175.02 174.62 2min s PRO 87 N 1.59 4.18 -0.10 4.11 0.04 -1.26 -1.01 135.00 142.55 2min s PRO 87 Ca 0.05 2.46 -0.00 0.00 0.04 0.00 0.00 61.00 63.55 2min s PRO 87 Cb -0.16 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.29 2min s PRO 87 CO 0.05 -0.65 -0.06 -0.47 0.04 0.00 0.00 177.00 175.90 2min s TYR 88 N 1.03 1.30 -0.26 0.56 6.14 -0.10 -1.25 117.35 124.77 2min s TYR 88 Ca 0.71 -0.60 -0.05 0.00 0.64 0.00 0.00 57.07 57.77 2min s TYR 88 Cb -0.46 -1.12 0.00 0.00 0.42 0.00 0.00 41.96 40.79 2min s TYR 88 CO 0.33 -0.46 0.02 0.08 0.64 0.00 0.00 175.55 176.16 2min s VAL 89 N 1.71 3.68 -0.31 3.14 1.01 -0.32 -1.26 120.40 128.05 2min s VAL 89 Ca 0.04 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 2min s VAL 89 Cb -0.13 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.46 2min s VAL 89 CO -0.07 0.24 0.94 -2.28 0.00 0.00 0.00 175.10 173.94 2min s HIS 90 N 1.49 3.18 -0.01 5.22 2.46 0.04 -3.20 115.29 124.46 2min s HIS 90 Ca 0.04 1.04 0.00 0.00 0.47 0.00 0.00 55.06 56.60 2min s HIS 90 Cb -0.16 -3.46 0.00 0.00 -0.13 0.00 0.00 32.58 28.84 2min s HIS 90 CO -0.00 -0.66 0.00 0.41 -2.47 0.00 0.00 174.74 172.02 2min n GLY 91 N 3.99 -0.24 3.88 1.59 0.00 -1.26 -1.27 105.19 111.88 2min n GLY 91 Ca 0.08 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 2min n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2min s SER 92 N -4.00 6.49 0.43 1.61 1.04 -1.26 -0.95 113.70 117.06 2min s SER 92 Ca 0.00 0.56 0.15 0.00 0.48 0.00 0.00 55.95 57.14 2min s SER 92 Cb 0.00 -2.09 0.94 0.00 0.10 0.00 0.00 66.02 64.97 2min s SER 92 CO 0.00 0.25 1.94 0.06 0.98 0.00 0.00 173.24 176.47 2min h GLN 93 N 3.98 0.00 -0.23 4.02 3.07 -1.91 -3.19 115.11 120.86 2min h GLN 93 Ca -0.50 0.00 0.07 0.00 0.09 0.00 0.00 58.65 58.31 2min h GLN 93 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.75 2min h GLN 93 CO 0.66 0.25 0.19 0.78 0.09 0.00 0.00 178.83 180.79 2min h GLY 94 N 0.79 0.00 0.73 0.06 0.00 -1.98 -1.42 103.07 101.25 2min h GLY 94 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2min h GLY 94 CO 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.55 2min h VAL 96 N -0.32 1.20 -0.60 0.00 2.07 -1.45 -0.59 116.25 116.56 2min h VAL 96 Ca -0.00 -0.57 0.12 0.00 0.82 0.00 0.00 66.70 67.06 2min h VAL 96 Cb 0.29 0.58 -0.10 0.00 -1.52 0.00 0.00 31.29 30.55 2min h VAL 96 CO 0.01 0.23 0.05 0.00 0.02 0.00 0.00 177.57 177.87 2min h ALA 97 N 1.09 0.63 -0.38 1.67 0.00 -1.38 -0.58 119.26 120.31 2min h ALA 97 Ca 0.18 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 2min h ALA 97 Cb 0.12 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2min h ALA 97 CO -0.02 -0.37 0.08 1.88 0.00 0.00 0.00 179.25 180.82 2min h TYR 98 N 0.16 0.66 -0.54 0.00 0.05 -0.93 -1.34 116.97 115.03 2min h TYR 98 Ca 0.32 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 59.02 2min h TYR 98 Cb 0.50 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 2min h TYR 98 CO -0.32 0.65 0.35 0.74 -1.05 0.00 0.00 178.16 178.53 2min h PHE 99 N 0.48 0.66 -0.10 4.88 0.04 -0.56 -0.12 116.94 122.22 2min h PHE 99 Ca 0.12 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 2min h PHE 99 Cb 0.33 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 2min h PHE 99 CO 0.02 0.40 0.04 0.00 -0.60 0.00 0.00 178.31 178.17 2min h ARG 100 N 0.71 0.16 -0.72 1.51 3.08 -0.99 -2.02 114.38 116.11 2min h ARG 100 Ca 0.20 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 2min h ARG 100 Cb -0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 2min h ARG 100 CO -0.06 0.30 0.30 0.77 -1.07 0.00 0.00 179.97 180.20 2min h SER 101 N -0.01 0.97 -0.23 7.04 0.02 -1.04 0.82 113.55 121.12 2min h SER 101 Ca 0.03 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2min h SER 101 Cb 0.20 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2min h SER 101 CO -0.00 0.85 0.15 0.22 -1.14 0.00 0.00 176.83 176.91 2min h TYR 102 N 1.03 0.30 0.01 3.45 3.20 -0.87 -1.04 116.97 123.06 2min h TYR 102 Ca 0.24 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.92 2min h TYR 102 Cb 0.18 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 2min h TYR 102 CO 0.02 0.20 -0.90 0.74 -1.64 0.00 0.00 178.16 176.57 2min h PHE 103 N 0.31 0.20 -0.66 -3.82 0.04 -1.14 -3.06 116.94 108.81 2min h PHE 103 Ca 0.08 -0.12 0.03 0.00 2.80 0.00 0.00 57.97 60.77 2min h PHE 103 Cb -0.02 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.07 2min h PHE 103 CO -0.06 0.96 0.40 -0.91 -0.60 0.00 0.00 178.31 178.10 2min h ASN 104 N 0.06 0.65 -0.43 2.17 2.35 -0.61 -0.38 115.58 119.39 2min h ASN 104 Ca -0.04 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 2min h ASN 104 Cb 1.55 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.77 2min h ASN 104 CO 0.13 0.45 0.04 0.03 -1.65 0.00 0.00 177.43 176.44 2min h ARG 105 N 0.78 0.81 0.15 0.81 -0.00 -1.23 0.24 114.38 115.95 2min h ARG 105 Ca 0.27 -0.20 -0.22 0.00 -0.50 0.00 0.00 59.98 59.32 2min h ARG 105 Cb 0.04 -0.10 0.03 0.00 0.00 0.00 0.00 29.97 29.93 2min h ARG 105 CO -0.11 0.79 -0.96 1.25 0.00 0.00 0.00 179.97 180.93 2min h HIS 106 N 0.77 0.68 0.00 3.04 2.76 -1.31 -3.35 115.15 117.75 2min h HIS 106 Ca 0.16 -0.48 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 2min h HIS 106 Cb 0.40 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.32 2min h HIS 106 CO 0.02 1.36 -0.75 1.19 -1.30 0.00 0.00 177.93 178.45 2min n PHE 107 N -4.03 0.20 -3.95 5.26 3.72 -0.21 -4.66 117.46 113.80 2min n PHE 107 Ca -0.14 0.06 -0.26 0.00 -0.05 0.00 0.00 57.45 57.05 2min n PHE 107 Cb 0.88 -0.37 -0.01 0.00 -0.94 0.00 0.00 39.48 39.04 2min n PHE 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2min n ARG 108 N -1.77 -3.68 -4.12 -1.08 1.74 0.85 -4.97 116.66 103.63 2min n ARG 108 Ca 0.04 0.45 -0.08 0.00 -0.77 0.00 0.00 57.85 57.48 2min n ARG 108 Cb 0.39 -4.76 -0.10 0.00 -1.02 0.00 0.00 32.46 26.96 2min n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2min s GLU 109 N -6.52 0.70 0.36 5.56 0.41 -1.22 -5.07 118.70 112.91 2min s GLU 109 Ca 0.14 -1.28 -0.28 0.00 -0.41 0.00 0.00 54.97 53.14 2min s GLU 109 Cb -0.08 0.12 -0.11 0.00 -1.78 0.00 0.00 34.13 32.28 2min s GLU 109 CO 0.88 -0.11 1.49 -2.30 -0.49 0.00 0.00 175.26 174.73 2min n PRO 110 N 0.05 2.63 -3.84 0.39 -0.02 -1.26 -4.39 135.00 128.55 2min n PRO 110 Ca -0.12 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 61.99 2min n PRO 110 Cb 0.61 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 31.28 2min n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2min s VAL 111 N -0.88 1.11 -0.08 -1.45 1.01 -1.26 -4.91 120.40 113.94 2min s VAL 111 Ca 0.56 -1.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 2min s VAL 111 Cb -0.49 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2min s VAL 111 CO 0.60 -0.25 0.39 -0.44 0.00 0.00 0.00 175.10 175.40 2min s SER 112 N 1.57 6.66 -0.29 3.32 0.01 -1.26 -4.87 113.70 118.83 2min s SER 112 Ca -0.01 0.78 -0.25 0.00 1.31 0.00 0.00 55.95 57.78 2min s SER 112 Cb -0.18 -2.24 0.15 0.00 0.21 0.00 0.00 66.02 63.97 2min s SER 112 CO -0.10 0.16 1.22 0.00 0.41 0.00 0.00 173.24 174.94 2min s VAL 114 N 0.15 2.26 0.18 0.00 -7.23 -0.38 -5.02 120.40 110.36 2min s VAL 114 Ca 0.05 -1.86 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 2min s VAL 114 Cb -0.05 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 2min s VAL 114 CO -0.11 -0.04 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.95 2min s SER 115 N -3.80 2.40 -0.28 4.85 0.15 -1.26 -1.17 113.70 114.59 2min s SER 115 Ca 0.38 -0.97 0.11 0.00 0.70 0.00 0.00 55.95 56.16 2min s SER 115 Cb 0.05 -0.11 0.56 0.00 -1.71 0.00 0.00 66.02 64.81 2min s SER 115 CO 0.20 -0.17 1.54 -0.90 1.20 0.00 0.00 173.24 175.11 2min n ASP 116 N -0.15 3.30 -4.18 5.45 5.68 -1.20 -4.93 116.55 120.53 2min n ASP 116 Ca -0.10 -3.47 -0.40 0.00 -0.50 0.00 0.00 54.79 50.32 2min n ASP 116 Cb 0.59 -0.64 -0.03 0.00 -1.14 0.00 0.00 41.12 39.90 2min n ASP 116 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2min n SER 117 N -0.84 -1.93 -4.70 -1.12 7.64 -1.23 -4.82 113.62 106.62 2min n SER 117 Ca 0.33 -1.29 -0.42 0.00 1.01 0.00 0.00 58.87 58.50 2min n SER 117 Cb 1.10 -1.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 2min n SER 117 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2min s MET 118 N -7.43 4.31 0.34 1.43 -1.94 -0.12 -4.91 119.30 110.97 2min s MET 118 Ca 0.28 1.99 0.03 0.00 -1.71 0.00 0.00 55.69 56.28 2min s MET 118 Cb -0.16 -3.42 0.03 0.00 2.01 0.00 0.00 34.83 33.29 2min s MET 118 CO 0.98 -0.49 0.26 0.25 -0.01 0.00 0.00 175.02 176.02 2min n THR 119 N 4.31 0.00 -0.23 2.05 -2.24 -1.26 -4.33 114.28 112.58 2min n THR 119 Ca 0.12 -1.32 -0.03 0.00 -2.27 0.00 0.00 64.05 60.55 2min n THR 119 Cb 0.43 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 2min n THR 119 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2min n GLU 120 N -1.31 -0.18 0.19 -0.78 4.07 -1.26 -1.30 120.64 120.07 2min n GLU 120 Ca -0.01 0.86 0.04 0.00 -0.06 0.00 0.00 57.16 57.99 2min n GLU 120 Cb 0.38 -1.27 0.39 0.00 -0.06 0.00 0.00 31.44 30.88 2min n GLU 120 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 2min h ASP 121 N 0.00 0.00 0.47 4.31 2.03 -1.99 -1.70 116.42 119.54 2min h ASP 121 Ca 0.15 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.44 2min h ASP 121 Cb 0.29 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.79 2min h ASP 121 CO -0.55 0.36 -0.06 0.00 -1.03 0.00 0.00 179.24 177.96 2min h ALA 122 N 1.64 1.13 0.00 4.15 0.00 -1.45 -1.00 119.26 123.74 2min h ALA 122 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2min h ALA 122 Cb 0.68 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2min h ALA 122 CO 0.05 0.08 -0.17 0.00 0.00 0.00 0.00 179.25 179.20 2min h ALA 123 N 1.94 1.56 0.09 0.00 0.00 -1.29 0.54 119.26 122.09 2min h ALA 123 Ca -0.00 -0.15 -0.35 0.00 0.00 0.00 0.00 54.91 54.41 2min h ALA 123 Cb 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2min h ALA 123 CO 0.01 0.21 -1.93 0.28 0.00 0.00 0.00 179.25 177.82 2min n VAL 124 N -4.10 1.71 0.15 0.00 0.31 -0.49 -4.59 118.33 111.32 2min n VAL 124 Ca -0.02 -0.53 0.07 0.00 -0.01 0.00 0.00 64.34 63.84 2min n VAL 124 Cb 0.24 -1.77 0.13 0.00 -0.91 0.00 0.00 33.84 31.53 2min n VAL 124 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2min n PHE 125 N -3.65 0.31 0.00 3.52 3.72 -0.53 -5.10 117.46 115.73 2min n PHE 125 Ca -0.34 -0.27 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 2min n PHE 125 Cb 0.98 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 2min n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2min n GLY 126 N 0.76 -2.29 1.95 1.37 0.00 0.19 -4.74 105.19 102.43 2min n GLY 126 Ca 0.11 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 2min n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2min n GLY 127 N -1.79 3.65 0.08 -0.02 0.00 -1.26 -4.60 105.19 101.26 2min n GLY 127 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 2min n GLY 127 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2min h GLN 128 N 1.98 -0.10 -0.18 1.61 5.75 -1.96 -2.46 115.11 119.75 2min h GLN 128 Ca 0.34 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.82 2min h GLN 128 Cb 2.33 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.89 2min h GLN 128 CO 0.76 -0.07 -0.02 0.37 -2.65 0.00 0.00 178.83 177.23 2min h GLN 129 N -0.11 0.26 -0.48 1.69 5.75 -1.96 -0.67 115.11 119.59 2min h GLN 129 Ca -0.00 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 2min h GLN 129 Cb 0.09 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 2min h GLN 129 CO 0.00 0.30 0.10 -0.91 -2.65 0.00 0.00 178.83 175.67 2min h ASN 130 N 0.25 0.74 -0.12 -0.69 2.35 -1.82 -1.15 115.58 115.15 2min h ASN 130 Ca 0.06 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2min h ASN 130 Cb 0.21 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2min h ASN 130 CO 0.01 0.79 0.07 -0.03 -1.65 0.00 0.00 177.43 176.61 2min h MET 131 N 0.66 0.17 0.58 0.81 4.05 -0.69 0.40 114.93 120.91 2min h MET 131 Ca 0.15 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 2min h MET 131 Cb 0.35 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 2min h MET 131 CO 0.00 0.20 -0.45 0.87 0.23 0.00 0.00 176.91 177.77 2min h LYS 132 N 0.10 -0.96 -0.39 0.39 1.57 -1.10 -0.92 116.57 115.27 2min h LYS 132 Ca 0.04 0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2min h LYS 132 Cb 0.08 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2min h LYS 132 CO -0.01 -0.64 -0.10 -0.44 -0.57 0.00 0.00 179.45 177.69 2min h ASP 133 N -0.99 0.66 0.41 0.86 3.32 -1.28 -2.68 116.42 116.72 2min h ASP 133 Ca -0.08 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 2min h ASP 133 Cb 0.82 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 2min h ASP 133 CO 0.02 0.80 -0.45 1.23 -1.72 0.00 0.00 179.24 179.12 2min h GLY 134 N 0.96 -1.06 0.56 2.75 0.00 -0.04 0.84 103.07 107.07 2min h GLY 134 Ca 0.11 0.52 0.05 0.00 0.00 0.00 0.00 47.33 48.01 2min h GLY 134 CO 0.03 -0.34 0.01 1.41 0.00 0.00 0.00 176.54 177.65 2min h LEU 135 N -0.88 -0.10 0.02 3.11 3.38 -1.20 -0.71 115.31 118.94 2min h LEU 135 Ca -0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2min h LEU 135 Cb 0.79 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2min h LEU 135 CO -0.08 -0.02 -0.02 -0.61 0.09 0.00 0.00 178.44 177.80 2min h GLN 136 N 0.10 -0.04 -0.24 1.13 4.15 -1.30 -0.58 115.11 118.33 2min h GLN 136 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 2min h GLN 136 Cb 0.18 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2min h GLN 136 CO -0.23 -0.03 0.10 -0.91 -1.93 0.00 0.00 178.83 175.83 2min h ASN 137 N -0.05 0.33 -0.47 -0.69 2.35 -0.60 -2.10 115.58 114.36 2min h ASN 137 Ca -0.00 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.62 2min h ASN 137 Cb 0.04 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 2min h ASN 137 CO -0.00 0.40 0.24 0.00 -1.65 0.00 0.00 177.43 176.42 2min h LYS 139 N 0.48 -0.24 -0.32 0.00 3.11 -0.88 -0.48 116.57 118.23 2min h LYS 139 Ca 0.20 0.02 -0.18 0.00 -2.81 0.00 0.00 60.65 57.88 2min h LYS 139 Cb 0.09 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2min h LYS 139 CO -0.13 -0.16 -0.49 0.00 -2.81 0.00 0.00 179.45 175.85 2min h ALA 140 N 0.68 0.50 -0.00 5.00 0.00 -1.18 -2.35 119.26 121.91 2min h ALA 140 Ca 0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2min h ALA 140 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2min h ALA 140 CO -0.14 0.68 -0.10 1.15 0.00 0.00 0.00 179.25 180.83 2min h THR 141 N 0.71 1.59 -0.02 0.00 2.02 -0.80 -3.36 112.91 113.05 2min h THR 141 Ca 0.03 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.33 2min h THR 141 Cb 1.10 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 2min h THR 141 CO 0.11 0.50 -0.10 -1.22 0.37 0.00 0.00 175.52 175.18 2min n TYR 142 N -4.63 0.00 -4.23 3.16 4.01 -0.20 -5.02 117.16 110.24 2min n TYR 142 Ca -0.09 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.28 2min n TYR 142 Cb 0.43 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 2min n TYR 142 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2min n LYS 143 N 0.92 -0.76 -1.71 -0.72 5.02 -0.88 -4.98 118.16 115.05 2min n LYS 143 Ca 0.12 0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 56.18 2min n LYS 143 Cb 0.51 -3.25 0.03 0.00 -0.02 0.00 0.00 35.03 32.31 2min n LYS 143 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2min s PRO 144 N -7.40 3.21 0.00 1.97 0.04 -1.26 -4.96 135.00 126.59 2min s PRO 144 Ca 0.16 0.89 0.26 0.00 0.04 0.00 0.00 61.00 62.35 2min s PRO 144 Cb -0.09 -2.03 0.63 0.00 0.04 0.00 0.00 34.50 33.05 2min s PRO 144 CO 0.99 -0.88 1.49 -0.25 0.04 0.00 0.00 177.00 178.38 2min n ASP 145 N -2.93 1.04 -3.59 6.66 8.00 0.43 -4.90 116.55 121.26 2min n ASP 145 Ca 0.07 -0.86 -0.15 0.00 0.71 0.00 0.00 54.79 54.57 2min n ASP 145 Cb 0.54 0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.77 2min n ASP 145 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2min s MET 146 N -2.58 0.85 -0.13 -1.24 1.75 -1.21 -4.35 119.30 112.40 2min s MET 146 Ca 0.21 0.60 0.02 0.00 -1.25 0.00 0.00 55.69 55.28 2min s MET 146 Cb 0.19 0.41 -0.00 0.00 2.84 0.00 0.00 34.83 38.27 2min s MET 146 CO 0.56 -0.19 -0.19 0.42 -0.65 0.00 0.00 175.02 174.97 2min s ILE 147 N -0.35 2.42 -0.33 10.11 1.01 -0.82 -0.92 121.20 132.33 2min s ILE 147 Ca -0.04 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 2min s ILE 147 Cb -0.03 -1.98 0.05 0.00 0.01 0.00 0.00 42.46 40.51 2min s ILE 147 CO 0.03 0.54 0.06 0.00 0.00 0.00 0.00 174.94 175.58 2min s ALA 148 N 0.52 2.95 -0.10 9.38 0.00 -0.18 -3.41 121.76 130.92 2min s ALA 148 Ca -0.12 -1.78 -0.18 0.00 0.00 0.00 0.00 51.96 49.88 2min s ALA 148 Cb -0.17 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2min s ALA 148 CO 0.05 -1.33 0.46 0.08 0.00 0.00 0.00 175.76 175.02 2min s VAL 149 N 1.33 5.16 0.02 0.00 1.01 -0.16 -0.93 120.40 126.84 2min s VAL 149 Ca -0.03 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.89 2min s VAL 149 Cb -0.20 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 2min s VAL 149 CO 0.01 0.36 0.01 -1.54 0.00 0.00 0.00 175.10 173.94 2min n SER 150 N 3.42 1.09 -4.04 3.32 3.41 -0.39 -1.04 113.62 119.39 2min n SER 150 Ca -0.08 -1.13 -0.13 0.00 -0.26 0.00 0.00 58.87 57.27 2min n SER 150 Cb 0.52 0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 64.41 2min n SER 150 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2min s THR 151 N -1.56 0.48 0.43 6.66 -4.23 -1.25 -0.78 115.64 115.38 2min s THR 151 Ca 0.01 -0.97 -0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2min s THR 151 Cb 0.00 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 2min s THR 151 CO 0.01 -0.34 0.65 0.42 -0.54 0.00 0.00 174.62 174.82 2min s THR 152 N -1.25 4.44 0.56 3.99 -4.23 -0.40 -4.52 115.64 114.23 2min s THR 152 Ca -0.09 -0.39 0.25 0.00 -1.18 0.00 0.00 61.69 60.27 2min s THR 152 Cb -0.09 -3.64 0.33 0.00 1.34 0.00 0.00 72.50 70.44 2min s THR 152 CO 0.00 -0.47 2.15 0.00 -0.54 0.00 0.00 174.62 175.76 2min h MET 154 N 0.00 -0.85 0.00 0.00 1.85 -1.94 0.03 114.93 114.02 2min h MET 154 Ca 0.05 0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 59.18 2min h MET 154 Cb 0.25 0.19 -0.00 0.00 0.43 0.00 0.00 31.60 32.47 2min h MET 154 CO -0.00 -0.57 -0.08 0.00 -0.40 0.00 0.00 176.91 175.86 2min h ALA 155 N -0.57 1.65 0.09 0.39 0.00 -1.66 -1.18 119.26 117.97 2min h ALA 155 Ca -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2min h ALA 155 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2min h ALA 155 CO -0.05 0.10 -0.04 0.93 0.00 0.00 0.00 179.25 180.19 2min h GLU 156 N 0.00 -0.12 -0.69 0.00 4.39 -0.98 -2.61 114.58 114.58 2min h GLU 156 Ca -0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2min h GLU 156 Cb 0.17 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2min h GLU 156 CO 0.01 0.38 0.40 0.28 -1.16 0.00 0.00 179.01 178.92 2min h VAL 157 N -0.72 1.20 -0.15 3.13 2.07 -0.55 -0.34 116.25 120.89 2min h VAL 157 Ca -0.01 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2min h VAL 157 Cb 0.56 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2min h VAL 157 CO 0.02 0.21 0.00 2.30 0.02 0.00 0.00 177.57 180.12 2min n ILE 158 N -4.39 0.20 -3.71 4.57 -5.35 -0.49 -4.93 119.36 105.27 2min n ILE 158 Ca 0.07 -0.20 -0.25 0.00 -0.27 0.00 0.00 62.75 62.10 2min n ILE 158 Cb 0.08 0.09 0.05 0.00 -1.74 0.00 0.00 39.64 38.13 2min n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2min n GLY 159 N 0.73 -0.46 3.70 3.28 0.00 -0.14 -4.94 105.19 107.37 2min n GLY 159 Ca 0.05 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2min n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2min s ASP 160 N -3.65 6.81 -0.71 1.61 1.11 -1.00 -4.94 116.67 115.90 2min s ASP 160 Ca 0.43 2.27 -0.26 0.00 0.18 0.00 0.00 52.55 55.18 2min s ASP 160 Cb -0.20 -2.58 0.04 0.00 1.07 0.00 0.00 42.92 41.26 2min s ASP 160 CO 0.78 -0.70 1.17 -0.62 1.18 0.00 0.00 175.17 176.98 2min s ASP 161 N 1.52 6.17 0.17 0.27 -1.08 -1.26 -4.86 116.67 117.60 2min s ASP 161 Ca 0.65 -0.61 -0.14 0.00 -0.52 0.00 0.00 52.55 51.93 2min s ASP 161 Cb -0.35 -2.51 0.14 0.00 -1.46 0.00 0.00 42.92 38.74 2min s ASP 161 CO 0.29 -1.70 1.72 -0.07 0.52 0.00 0.00 175.17 175.93 2min h LEU 162 N 12.45 0.01 -0.00 -1.34 3.38 -1.98 -1.71 115.31 126.11 2min h LEU 162 Ca -0.28 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2min h LEU 162 Cb 1.06 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 2min h LEU 162 CO 1.24 0.04 -0.12 -1.13 0.09 0.00 0.00 178.44 178.56 2min h ASN 163 N 0.22 -0.35 -0.70 -0.43 -1.24 -2.00 0.49 115.58 111.58 2min h ASN 163 Ca 0.22 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.23 2min h ASN 163 Cb 0.27 0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.44 2min h ASN 163 CO -0.28 -0.17 0.23 0.00 -1.29 0.00 0.00 177.43 175.92 2min h ALA 164 N 0.76 1.06 -0.61 1.57 0.00 -1.90 -1.58 119.26 118.55 2min h ALA 164 Ca 0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2min h ALA 164 Cb 0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2min h ALA 164 CO -0.12 0.64 0.23 0.74 0.00 0.00 0.00 179.25 180.74 2min h PHE 165 N 1.06 0.94 -0.34 0.00 -1.00 -0.62 0.23 116.94 117.21 2min h PHE 165 Ca 0.23 -0.08 -0.17 0.00 2.81 0.00 0.00 57.97 60.77 2min h PHE 165 Cb 0.28 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 2min h PHE 165 CO 0.02 0.75 -0.45 0.82 -1.61 0.00 0.00 178.31 177.85 2min h ILE 166 N 0.85 1.28 -0.75 -0.55 2.04 -0.75 -0.96 117.51 118.66 2min h ILE 166 Ca 0.20 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 2min h ILE 166 Cb 0.22 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2min h ILE 166 CO -0.01 0.54 0.27 0.78 0.00 0.00 0.00 178.15 179.72 2min h ASN 167 N 0.70 1.05 1.05 1.72 2.35 -0.85 -1.44 115.58 120.15 2min h ASN 167 Ca 0.04 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.53 2min h ASN 167 Cb 1.04 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 2min h ASN 167 CO 0.10 0.95 -0.41 0.78 -1.65 0.00 0.00 177.43 177.21 2min h ASN 168 N 1.10 0.00 -0.45 5.81 -0.26 -0.41 -0.06 115.58 121.32 2min h ASN 168 Ca 0.25 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.87 2min h ASN 168 Cb 0.26 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 2min h ASN 168 CO -0.01 0.41 -0.19 0.28 -1.06 0.00 0.00 177.43 176.86 2min h SER 169 N 0.00 0.94 -0.43 5.81 0.02 -0.56 -1.01 113.55 118.31 2min h SER 169 Ca -0.00 -0.39 -0.11 0.00 -0.84 0.00 0.00 61.79 60.45 2min h SER 169 Cb 1.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2min h SER 169 CO 0.05 1.12 -0.15 0.11 -1.14 0.00 0.00 176.83 176.83 2min h LYS 170 N 0.75 0.87 -0.38 3.45 1.57 -1.08 -0.85 116.57 120.89 2min h LYS 170 Ca 0.10 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2min h LYS 170 Cb 0.75 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 2min h LYS 170 CO 0.06 0.99 0.24 -0.22 -0.57 0.00 0.00 179.45 179.96 2min h LYS 171 N 0.69 0.48 0.00 3.15 3.64 -0.84 -1.51 116.57 122.19 2min h LYS 171 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2min h LYS 171 Cb 0.70 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2min h LYS 171 CO 0.05 0.32 0.00 0.39 -2.27 0.00 0.00 179.45 177.94 2min n GLU 172 N -4.84 0.81 -0.98 1.90 4.71 -0.40 -4.89 120.64 116.95 2min n GLU 172 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2min n GLU 172 Cb 0.04 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.00 2min n GLU 172 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2min n GLY 173 N 0.59 0.46 0.24 0.62 0.00 -0.57 -4.94 105.19 101.58 2min n GLY 173 Ca 0.18 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 2min n GLY 173 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2min h PHE 174 N 0.00 0.82 -3.99 1.61 -1.00 -1.37 -3.44 116.94 109.57 2min h PHE 174 Ca 0.00 -0.25 -0.43 0.00 2.81 0.00 0.00 57.97 60.10 2min h PHE 174 Cb 0.00 -0.17 -0.23 0.00 3.61 0.00 0.00 35.95 39.16 2min h PHE 174 CO 0.00 0.99 -0.79 0.96 -1.61 0.00 0.00 178.31 177.86 2min s ILE 175 N -4.25 1.10 0.39 -0.55 -4.36 -1.23 -4.29 121.20 108.01 2min s ILE 175 Ca -0.09 -1.14 -0.26 0.00 -0.26 0.00 0.00 60.65 58.91 2min s ILE 175 Cb 0.12 -1.03 -0.11 0.00 1.25 0.00 0.00 42.46 42.69 2min s ILE 175 CO 0.85 -0.11 1.21 -2.65 0.24 0.00 0.00 174.94 174.48 2min n PRO 176 N 1.61 1.84 0.16 0.37 -0.02 -1.26 -4.38 135.00 133.31 2min n PRO 176 Ca -0.20 0.65 0.14 0.00 -2.02 0.00 0.00 63.50 62.07 2min n PRO 176 Cb 0.54 -2.27 0.69 0.00 -0.02 0.00 0.00 33.50 32.45 2min n PRO 176 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2min h ASP 177 N 2.10 0.00 -0.44 2.55 3.58 -1.97 -0.82 116.42 121.42 2min h ASP 177 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2min h ASP 177 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2min h ASP 177 CO 0.60 0.00 0.00 -1.84 -2.88 0.00 0.00 179.24 175.12 2min n GLU 178 N -4.39 2.53 -2.31 0.28 0.00 -1.26 -4.93 120.64 110.57 2min n GLU 178 Ca 0.02 -2.33 -0.42 0.00 0.00 0.00 0.00 57.16 54.44 2min n GLU 178 Cb 0.31 -1.52 -0.03 0.00 0.00 0.00 0.00 31.44 30.19 2min n GLU 178 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 2min s PHE 179 N -1.43 3.34 -0.16 -1.84 5.36 -0.32 -4.95 117.98 117.99 2min s PHE 179 Ca 0.40 1.14 -0.29 0.00 -0.96 0.00 0.00 56.93 57.22 2min s PHE 179 Cb 0.23 -3.54 -0.04 0.00 -0.34 0.00 0.00 43.02 39.33 2min s PHE 179 CO 0.32 -1.78 1.67 -2.14 -1.46 0.00 0.00 175.22 171.83 2min s PRO 180 N 1.12 3.90 -0.48 10.12 0.02 -1.26 -4.94 135.00 143.48 2min s PRO 180 Ca 0.61 1.89 0.07 0.00 0.02 0.00 0.00 61.00 63.59 2min s PRO 180 Cb -0.33 -4.04 0.24 0.00 0.02 0.00 0.00 34.50 30.40 2min s PRO 180 CO 0.29 -1.17 0.58 0.28 -0.33 0.00 0.00 177.00 176.65 2min n VAL 181 N 6.13 0.33 -1.96 3.83 0.31 -1.26 -1.94 118.33 123.78 2min n VAL 181 Ca 0.19 -4.38 -0.36 0.00 -0.01 0.00 0.00 64.34 59.77 2min n VAL 181 Cb 0.44 -1.99 0.04 0.00 -0.91 0.00 0.00 33.84 31.42 2min n VAL 181 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2min s PRO 182 N -1.50 2.91 0.15 5.55 0.04 -1.22 -4.89 135.00 136.03 2min s PRO 182 Ca 0.36 1.89 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 2min s PRO 182 Cb 0.14 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2min s PRO 182 CO -0.09 -1.27 0.10 -0.59 0.04 0.00 0.00 177.00 175.20 2min s PHE 183 N -1.54 0.82 -0.27 0.56 -0.71 -1.26 -0.99 117.98 114.60 2min s PHE 183 Ca 0.78 -1.18 -0.19 0.00 -1.04 0.00 0.00 56.93 55.30 2min s PHE 183 Cb -0.32 -0.42 0.07 0.00 -1.21 0.00 0.00 43.02 41.14 2min s PHE 183 CO 0.35 -0.57 0.68 0.00 -1.34 0.00 0.00 175.22 174.34 2min s ALA 184 N -4.05 -1.78 -0.27 1.99 0.00 -0.21 -4.50 121.76 112.94 2min s ALA 184 Ca 0.25 2.18 -0.29 0.00 0.00 0.00 0.00 51.96 54.10 2min s ALA 184 Cb 0.07 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.92 2min s ALA 184 CO 0.03 -0.35 1.07 -1.01 0.00 0.00 0.00 175.76 175.50 2min s HIS 185 N 1.05 3.22 -0.68 0.00 3.76 -1.26 -3.89 115.29 117.49 2min s HIS 185 Ca -0.05 1.32 0.05 0.00 -0.15 0.00 0.00 55.06 56.23 2min s HIS 185 Cb -0.05 -3.47 0.18 0.00 1.11 0.00 0.00 32.58 30.35 2min s HIS 185 CO -0.10 -0.68 0.53 0.25 -0.85 0.00 0.00 174.74 173.89 2min n THR 186 N 5.57 1.62 -1.66 1.30 -2.24 -1.26 -4.93 114.28 112.67 2min n THR 186 Ca 0.12 -4.86 -0.42 0.00 -2.27 0.00 0.00 64.05 56.62 2min n THR 186 Cb 0.46 -2.15 -0.03 0.00 -2.10 0.00 0.00 70.33 66.52 2min n THR 186 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2min s PRO 187 N -1.58 4.14 0.00 -0.78 0.02 -1.26 -4.17 135.00 131.37 2min s PRO 187 Ca 0.28 2.63 0.14 0.00 0.02 0.00 0.00 61.00 64.07 2min s PRO 187 Cb -0.00 -4.14 0.62 0.00 0.02 0.00 0.00 34.50 31.00 2min s PRO 187 CO -0.14 -0.95 1.45 -1.13 -0.33 0.00 0.00 177.00 175.89 2min n SER 188 N 7.47 0.00 -1.10 2.53 3.41 -1.26 -2.03 113.62 122.64 2min n SER 188 Ca 0.20 0.45 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 2min n SER 188 Cb 0.41 -0.47 0.26 0.00 -0.26 0.00 0.00 64.21 64.15 2min n SER 188 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2min n PHE 189 N -1.47 0.60 -4.98 7.33 1.16 -1.26 -4.65 117.46 114.19 2min n PHE 189 Ca 0.04 -0.30 -0.30 0.00 -1.87 0.00 0.00 57.45 55.02 2min n PHE 189 Cb 0.16 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 37.86 2min n PHE 189 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2min s VAL 190 N -1.40 1.81 0.00 1.97 1.01 -0.86 -5.07 120.40 117.86 2min s VAL 190 Ca 0.40 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2min s VAL 190 Cb 0.22 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2min s VAL 190 CO 0.30 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.52 2min n GLY 191 N 3.68 2.68 0.00 4.51 0.00 -1.26 -4.74 105.19 110.07 2min n GLY 191 Ca -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2min n GLY 191 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2min n SER 192 N 3.34 0.00 -0.32 1.61 3.41 -1.26 -4.88 113.62 115.52 2min n SER 192 Ca 0.00 -0.90 0.25 0.00 -0.26 0.00 0.00 58.87 57.96 2min n SER 192 Cb 0.00 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.51 2min n SER 192 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2min h HIS 193 N 0.90 0.52 -0.25 7.33 2.07 -1.18 0.19 115.15 124.74 2min h HIS 193 Ca 0.00 0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.42 2min h HIS 193 Cb 0.00 -0.15 -0.01 0.00 2.57 0.00 0.00 27.41 29.82 2min h HIS 193 CO 0.00 0.04 -0.33 -0.39 -3.07 0.00 0.00 177.93 174.18 2min h VAL 194 N 0.31 1.29 -0.34 6.12 -1.51 -1.87 -2.47 116.25 117.77 2min h VAL 194 Ca 0.59 -1.44 -0.05 0.00 -1.23 0.00 0.00 66.70 64.57 2min h VAL 194 Cb 1.65 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 32.25 2min h VAL 194 CO -0.24 0.46 0.01 0.74 -1.23 0.00 0.00 177.57 177.31 2min h THR 195 N 0.46 1.19 -0.27 7.19 2.02 -1.23 -1.81 112.91 120.46 2min h THR 195 Ca 0.05 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 2min h THR 195 Cb 0.80 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2min h THR 195 CO 0.07 0.26 -0.24 1.23 0.37 0.00 0.00 175.52 177.21 2min h GLY 196 N 0.82 0.56 0.73 2.16 0.00 -1.33 -0.68 103.07 105.32 2min h GLY 196 Ca 0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2min h GLY 196 CO 0.01 0.41 -0.08 -0.25 0.00 0.00 0.00 176.54 176.63 2min h TRP 197 N 0.46 -0.20 -0.05 5.60 7.01 -0.91 -1.68 115.95 126.17 2min h TRP 197 Ca 0.07 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.10 2min h TRP 197 Cb 0.66 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.75 2min h TRP 197 CO 0.02 0.09 -0.16 0.22 -2.79 0.00 0.00 178.44 175.82 2min h ASP 198 N -0.49 -0.49 -0.55 2.65 3.58 -1.22 -0.52 116.42 119.38 2min h ASP 198 Ca -0.02 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.55 2min h ASP 198 Cb 0.38 0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 2min h ASP 198 CO 0.04 -0.22 0.29 0.78 -2.88 0.00 0.00 179.24 177.25 2min h ASN 199 N -0.24 0.43 -0.16 2.28 2.35 -1.14 -0.36 115.58 118.75 2min h ASN 199 Ca 0.07 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2min h ASN 199 Cb 0.34 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2min h ASN 199 CO -0.20 0.29 0.07 -0.03 -1.65 0.00 0.00 177.43 175.91 2min h MET 200 N 0.56 0.23 0.20 0.81 4.05 -0.83 -1.69 114.93 118.26 2min h MET 200 Ca 0.24 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2min h MET 200 Cb 0.13 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 2min h MET 200 CO -0.16 0.30 -0.16 0.35 0.23 0.00 0.00 176.91 177.48 2min h PHE 201 N 0.11 -0.41 -0.71 1.39 3.57 -0.67 -1.06 116.94 119.17 2min h PHE 201 Ca 0.05 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.64 2min h PHE 201 Cb 0.15 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 2min h PHE 201 CO -0.02 -0.24 0.47 1.49 -2.23 0.00 0.00 178.31 177.78 2min h GLU 202 N -0.37 0.62 -0.40 1.11 4.22 -1.09 0.28 114.58 118.95 2min h GLU 202 Ca -0.01 -0.04 -0.08 0.00 0.08 0.00 0.00 59.36 59.31 2min h GLU 202 Cb 0.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2min h GLU 202 CO -0.01 0.41 -0.08 0.78 -2.18 0.00 0.00 179.01 177.93 2min h GLY 203 N 0.64 0.82 1.28 1.92 0.00 -0.59 -0.69 103.07 106.45 2min h GLY 203 Ca 0.32 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 2min h GLY 203 CO -0.11 0.61 -0.26 -2.22 0.00 0.00 0.00 176.54 174.56 2min h ILE 204 N 0.57 1.27 -0.12 2.60 2.04 -0.45 -1.68 117.51 121.74 2min h ILE 204 Ca 0.10 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 2min h ILE 204 Cb 0.59 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2min h ILE 204 CO 0.04 0.47 0.05 0.00 0.00 0.00 0.00 178.15 178.70 2min h ALA 205 N 1.00 0.16 -0.50 1.87 0.00 -0.85 -2.55 119.26 118.39 2min h ALA 205 Ca 0.09 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2min h ALA 205 Cb 0.79 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2min h ALA 205 CO 0.07 -0.25 0.29 0.00 0.00 0.00 0.00 179.25 179.35 2min h ARG 206 N 0.04 0.56 -0.51 0.00 3.08 -1.01 -2.72 114.38 113.82 2min h ARG 206 Ca 0.04 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.14 2min h ARG 206 Cb 0.17 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 2min h ARG 206 CO -0.00 0.37 0.15 -0.92 -1.07 0.00 0.00 179.97 178.49 2min h TYR 207 N 0.57 0.26 -0.01 3.04 3.20 -1.05 0.34 116.97 123.32 2min h TYR 207 Ca 0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2min h TYR 207 Cb 0.04 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2min h TYR 207 CO -0.07 0.05 -0.20 1.19 -1.64 0.00 0.00 178.16 177.49 2min n PHE 208 N -5.05 0.00 0.00 -3.82 3.72 -0.98 -4.62 117.46 106.71 2min n PHE 208 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2min n PHE 208 Cb 0.23 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 2min n PHE 208 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2min n THR 209 N -0.73 0.00 -0.30 4.37 -1.04 -0.92 -4.55 114.28 111.11 2min n THR 209 Ca 0.13 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.22 2min n THR 209 Cb 0.32 -0.75 0.18 0.00 -1.82 0.00 0.00 70.33 68.26 2min n THR 209 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2min h LEU 210 N 0.00 -0.53 -3.94 -4.42 5.85 -1.12 -0.38 115.31 110.76 2min h LEU 210 Ca 0.00 0.24 -0.51 0.00 0.84 0.00 0.00 57.88 58.45 2min h LEU 210 Cb 0.63 0.45 -0.30 0.00 0.37 0.00 0.00 40.66 41.81 2min h LEU 210 CO 0.00 -0.26 0.65 0.29 -0.34 0.00 0.00 178.44 178.78 2min n LYS 211 N -5.45 2.24 0.00 1.25 5.02 -1.26 -4.04 118.16 115.91 2min n LYS 211 Ca 0.16 -2.94 0.00 0.00 -2.02 0.00 0.00 58.31 53.51 2min n LYS 211 Cb 0.55 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 2min n LYS 211 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2min n SER 212 N -1.09 0.15 -0.07 4.39 7.64 -0.16 -4.95 113.62 119.53 2min n SER 212 Ca 0.58 -0.70 0.25 0.00 1.01 0.00 0.00 58.87 60.02 2min n SER 212 Cb 1.59 0.08 0.72 0.00 -1.01 0.00 0.00 64.21 65.59 2min n SER 212 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2min h MET 213 N 0.00 0.00 0.00 1.43 2.86 -1.69 -2.93 114.93 114.60 2min h MET 213 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2min h MET 213 Cb 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2min h MET 213 CO 0.00 0.00 -0.02 0.38 1.06 0.00 0.00 176.91 178.33 2min h ASP 214 N 0.00 0.00 1.27 1.22 3.04 -1.93 -1.58 116.42 118.44 2min h ASP 214 Ca 0.33 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.12 2min h ASP 214 Cb 1.42 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.71 2min h ASP 214 CO -0.00 0.02 -0.01 -0.67 -2.04 0.00 0.00 179.24 176.54 2min n ASP 215 N -3.30 0.48 -4.82 4.15 2.03 -1.11 -4.92 116.55 109.06 2min n ASP 215 Ca -0.02 0.53 -0.37 0.00 0.52 0.00 0.00 54.79 55.45 2min n ASP 215 Cb 0.13 -0.66 -0.06 0.00 -0.72 0.00 0.00 41.12 39.81 2min n ASP 215 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2min s LYS 216 N -3.06 3.85 -0.17 -0.67 -0.14 -0.60 -5.07 119.74 113.88 2min s LYS 216 Ca 0.12 0.16 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 2min s LYS 216 Cb 0.15 -3.26 0.01 0.00 -1.68 0.00 0.00 37.83 33.04 2min s LYS 216 CO 0.57 0.60 -0.16 0.08 -0.76 0.00 0.00 175.35 175.68 2min s VAL 217 N -0.67 2.46 0.02 3.17 1.01 -1.26 -5.01 120.40 120.12 2min s VAL 217 Ca 0.19 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 2min s VAL 217 Cb -0.14 -2.04 -0.07 0.00 0.00 0.00 0.00 36.38 34.12 2min s VAL 217 CO 0.08 0.52 1.67 -0.69 0.00 0.00 0.00 175.10 176.68 2min s VAL 218 N 1.07 3.27 0.00 2.92 1.01 -1.26 -2.59 120.40 124.83 2min s VAL 218 Ca -0.00 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2min s VAL 218 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2min s VAL 218 CO -0.05 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2min n GLY 219 N 4.09 2.89 0.32 4.51 0.00 0.12 -4.88 105.19 112.24 2min n GLY 219 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 2min n GLY 219 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2min h SER 220 N 0.15 0.00 0.04 1.61 4.64 -1.12 -0.41 113.55 118.46 2min h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2min h SER 220 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2min h SER 220 CO 0.00 0.00 -0.09 -0.46 -0.87 0.00 0.00 176.83 175.41 2min n ASN 221 N -4.37 1.64 -1.72 4.97 0.23 -0.99 -4.95 115.26 110.07 2min n ASN 221 Ca 0.03 -1.43 -0.19 0.00 -0.53 0.00 0.00 54.58 52.46 2min n ASN 221 Cb 0.35 0.06 -0.06 0.00 -2.08 0.00 0.00 39.78 38.04 2min n ASN 221 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2min n LYS 222 N 0.14 -1.50 -3.58 -3.83 5.02 -0.16 -4.98 118.16 109.27 2min n LYS 222 Ca 0.16 1.06 -0.20 0.00 -2.02 0.00 0.00 58.31 57.31 2min n LYS 222 Cb 0.40 -5.47 -0.02 0.00 -0.02 0.00 0.00 35.03 29.92 2min n LYS 222 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2min s LYS 223 N -3.88 2.75 -0.08 1.97 1.02 -1.26 -4.49 119.74 115.77 2min s LYS 223 Ca 0.00 -1.31 0.04 0.00 0.02 0.00 0.00 55.97 54.72 2min s LYS 223 Cb 0.00 -2.54 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 2min s LYS 223 CO 0.00 -0.04 -0.22 0.42 -0.92 0.00 0.00 175.35 174.59 2min s ILE 224 N -2.34 2.24 0.10 2.17 1.01 -0.20 -0.53 121.20 123.65 2min s ILE 224 Ca 0.45 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 2min s ILE 224 Cb -0.06 -1.85 -0.07 0.00 0.01 0.00 0.00 42.46 40.49 2min s ILE 224 CO 0.28 0.56 0.63 0.20 0.00 0.00 0.00 174.94 176.61 2min s ASN 225 N 0.07 7.15 -0.16 3.58 0.01 -0.65 -1.27 114.94 123.66 2min s ASN 225 Ca -0.10 1.37 0.01 0.00 -0.71 0.00 0.00 52.86 53.43 2min s ASN 225 Cb -0.16 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 39.12 2min s ASN 225 CO 0.06 0.25 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.07 2min s ILE 226 N -1.09 1.98 -0.30 0.60 -1.09 0.17 -0.13 121.20 121.34 2min s ILE 226 Ca 0.31 -0.90 -0.07 0.00 -2.23 0.00 0.00 60.65 57.75 2min s ILE 226 Cb -0.20 -1.78 0.01 0.00 -1.58 0.00 0.00 42.46 38.90 2min s ILE 226 CO 0.21 0.53 0.10 -0.69 -1.23 0.00 0.00 174.94 173.86 2min s VAL 227 N 1.19 4.10 0.29 2.92 1.01 -0.49 -1.16 120.40 128.25 2min s VAL 227 Ca 0.02 -0.67 0.12 0.00 0.00 0.00 0.00 61.98 61.44 2min s VAL 227 Cb -0.14 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2min s VAL 227 CO -0.10 0.05 1.67 1.55 0.00 0.00 0.00 175.10 178.28 2min h PRO 228 N 8.26 0.00 0.00 2.72 0.13 -1.84 -1.63 132.00 139.64 2min h PRO 228 Ca -0.31 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.84 2min h PRO 228 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2min h PRO 228 CO 0.61 0.54 -0.02 0.41 -0.23 0.00 0.00 178.00 179.31 2min n GLY 229 N 0.07 -2.10 3.60 1.56 0.00 -1.26 -4.24 105.19 102.81 2min n GLY 229 Ca -0.01 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 2min n GLY 229 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2min s PHE 230 N -0.47 1.99 -0.04 1.61 2.19 -1.26 -4.96 117.98 117.03 2min s PHE 230 Ca 0.00 0.63 0.02 0.00 0.33 0.00 0.00 56.93 57.91 2min s PHE 230 Cb 0.00 -4.18 0.01 0.00 -1.31 0.00 0.00 43.02 37.54 2min s PHE 230 CO 0.00 -2.68 -0.08 -2.00 1.83 0.00 0.00 175.22 172.29 2min s GLU 231 N 5.41 1.13 -0.03 10.12 2.56 -1.26 -5.04 118.70 131.59 2min s GLU 231 Ca 0.74 -0.26 0.05 0.00 0.00 0.00 0.00 54.97 55.51 2min s GLU 231 Cb -0.20 -1.02 0.07 0.00 2.00 0.00 0.00 34.13 34.98 2min s GLU 231 CO 0.33 0.01 0.97 0.25 -0.56 0.00 0.00 175.26 176.26 2min n THR 232 N 3.75 1.03 -4.17 -1.70 -2.24 -1.26 -4.95 114.28 104.74 2min n THR 232 Ca -0.23 -1.13 -0.34 0.00 -2.27 0.00 0.00 64.05 60.08 2min n THR 232 Cb 0.52 0.38 -0.13 0.00 -2.10 0.00 0.00 70.33 68.99 2min n THR 232 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2min s TYR 233 N -1.28 2.96 0.37 4.78 2.02 -1.26 -4.78 117.35 120.14 2min s TYR 233 Ca 0.08 -0.70 0.10 0.00 -0.37 0.00 0.00 57.07 56.19 2min s TYR 233 Cb 0.07 -2.03 0.71 0.00 -0.40 0.00 0.00 41.96 40.30 2min s TYR 233 CO 0.01 -0.35 1.85 -0.07 -1.57 0.00 0.00 175.55 175.41 2min h LEU 234 N 7.53 0.16 -1.69 -1.29 3.38 -1.21 -2.58 115.31 119.61 2min h LEU 234 Ca -0.36 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 2min h LEU 234 Cb 1.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2min h LEU 234 CO 0.60 0.43 -0.16 1.23 0.09 0.00 0.00 178.44 180.62 2min h GLY 235 N 0.93 0.00 1.18 0.83 0.00 -1.36 -2.07 103.07 102.59 2min h GLY 235 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.13 2min h GLY 235 CO 0.04 0.00 -0.77 3.43 0.00 0.00 0.00 176.54 179.24 2min h ASN 236 N 0.00 0.95 -0.58 0.19 2.35 -1.55 -0.39 115.58 116.55 2min h ASN 236 Ca -0.00 -0.62 -0.03 0.00 -0.55 0.00 0.00 56.30 55.10 2min h ASN 236 Cb 0.44 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2min h ASN 236 CO 0.02 1.42 0.23 -0.26 -1.65 0.00 0.00 177.43 177.19 2min h PHE 237 N 0.55 0.88 -0.38 1.19 0.04 -1.57 -3.00 116.94 114.65 2min h PHE 237 Ca -0.05 -0.07 -0.12 0.00 2.80 0.00 0.00 57.97 60.53 2min h PHE 237 Cb 1.40 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 39.28 2min h PHE 237 CO 0.09 0.71 -0.22 0.00 -0.60 0.00 0.00 178.31 178.29 2min h ARG 238 N 0.80 0.82 -0.14 1.51 3.08 -1.32 -2.79 114.38 116.33 2min h ARG 238 Ca 0.19 -0.38 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 2min h ARG 238 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2min h ARG 238 CO -0.01 1.01 -0.33 -0.24 -1.07 0.00 0.00 179.97 179.32 2min h VAL 239 N 0.62 1.28 -0.12 2.04 3.04 -1.07 -0.58 116.25 121.45 2min h VAL 239 Ca 0.08 -1.34 -0.02 0.00 -1.01 0.00 0.00 66.70 64.41 2min h VAL 239 Cb 0.79 1.54 -0.00 0.00 -2.01 0.00 0.00 31.29 31.60 2min h VAL 239 CO 0.06 0.41 0.01 0.40 -1.01 0.00 0.00 177.57 177.44 2min h ILE 240 N 0.25 1.23 -0.56 3.17 1.08 -1.39 -1.20 117.51 120.10 2min h ILE 240 Ca 0.03 -0.74 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 2min h ILE 240 Cb 0.71 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 35.93 2min h ILE 240 CO 0.05 0.21 0.13 0.11 -0.69 0.00 0.00 178.15 177.97 2min h LYS 241 N -0.04 0.86 -0.18 2.37 1.57 -1.32 -1.90 116.57 117.93 2min h LYS 241 Ca 0.03 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2min h LYS 241 Cb 0.32 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2min h LYS 241 CO 0.00 0.78 0.04 -0.09 -0.57 0.00 0.00 179.45 179.61 2min h ARG 242 N 0.83 0.29 -0.38 3.15 1.12 -0.86 -0.41 114.38 118.12 2min h ARG 242 Ca 0.18 -0.07 -0.14 0.00 -1.11 0.00 0.00 59.98 58.84 2min h ARG 242 Cb 0.31 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 2min h ARG 242 CO -0.00 0.43 -0.31 0.52 -3.11 0.00 0.00 179.97 177.50 2min h MET 243 N 0.10 0.83 -0.67 0.20 2.86 -1.10 -1.02 114.93 116.13 2min h MET 243 Ca 0.06 -0.38 -0.08 0.00 -2.06 0.00 0.00 59.70 57.23 2min h MET 243 Cb 0.27 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 2min h MET 243 CO 0.00 1.02 0.12 -0.07 1.06 0.00 0.00 176.91 179.04 2min h LEU 244 N 0.70 1.06 -0.81 1.22 3.38 -1.21 -1.23 115.31 118.41 2min h LEU 244 Ca 0.08 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2min h LEU 244 Cb 0.86 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2min h LEU 244 CO 0.07 1.04 -0.20 0.28 0.09 0.00 0.00 178.44 179.73 2min h SER 245 N 1.03 0.68 -0.05 -0.43 0.02 -0.94 -1.75 113.55 112.12 2min h SER 245 Ca 0.21 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2min h SER 245 Cb 0.43 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2min h SER 245 CO 0.01 0.87 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.21 2min h GLU 246 N 0.60 0.21 0.00 3.45 5.08 -0.61 -1.47 114.58 121.83 2min h GLU 246 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2min h GLU 246 Cb 0.67 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2min h GLU 246 CO 0.05 0.26 0.00 -1.33 -1.00 0.00 0.00 179.01 176.99 2min n MET 247 N -4.38 0.00 -1.75 2.33 2.81 -0.52 -4.74 117.12 110.88 2min n MET 247 Ca -0.01 0.04 -0.09 0.00 -1.81 0.00 0.00 57.70 55.83 2min n MET 247 Cb 0.18 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.17 2min n MET 247 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2min n GLY 248 N 1.27 0.50 3.70 3.03 0.00 -0.55 -4.72 105.19 108.41 2min n GLY 248 Ca 0.06 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2min n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2min s VAL 249 N -2.40 5.19 0.15 1.61 1.01 -0.70 -4.99 120.40 120.26 2min s VAL 249 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 2min s VAL 249 Cb 0.00 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 2min s VAL 249 CO 0.00 0.29 1.12 -0.83 0.00 0.00 0.00 175.10 175.67 2min s GLY 250 N 0.81 2.76 0.29 4.51 0.00 -1.26 -4.51 107.32 109.92 2min s GLY 250 Ca 0.22 0.81 -0.03 0.00 0.00 0.00 0.00 44.72 45.72 2min s GLY 250 CO 0.09 1.74 0.37 -2.52 0.00 0.00 0.00 173.10 172.78 2min s TYR 251 N 0.08 1.03 -0.16 1.90 1.13 -1.26 -1.04 117.35 119.02 2min s TYR 251 Ca 0.51 -1.24 -0.04 0.00 -1.41 0.00 0.00 57.07 54.89 2min s TYR 251 Cb -0.29 -0.21 0.08 0.00 -1.10 0.00 0.00 41.96 40.43 2min s TYR 251 CO 0.33 -0.96 0.19 -1.12 -2.51 0.00 0.00 175.55 171.48 2min s SER 252 N -3.19 1.31 -0.31 -0.18 0.01 -0.40 -4.78 113.70 106.16 2min s SER 252 Ca 0.32 -0.10 -0.26 0.00 1.31 0.00 0.00 55.95 57.22 2min s SER 252 Cb 0.02 0.28 0.01 0.00 0.21 0.00 0.00 66.02 66.53 2min s SER 252 CO 0.17 -0.31 0.94 -0.22 0.41 0.00 0.00 173.24 174.24 2min s LEU 253 N 2.29 4.01 -0.38 2.44 2.96 -1.26 -0.65 118.68 128.10 2min s LEU 253 Ca 0.05 0.87 -0.13 0.00 -0.22 0.00 0.00 54.13 54.71 2min s LEU 253 Cb -0.15 -3.33 0.01 0.00 0.50 0.00 0.00 46.19 43.23 2min s LEU 253 CO -0.10 -0.76 0.24 -0.76 -1.32 0.00 0.00 176.35 173.65 2min s LEU 254 N 3.33 4.77 0.00 -0.68 1.43 -0.31 -4.44 118.68 122.77 2min s LEU 254 Ca 0.39 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2min s LEU 254 Cb -0.13 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2min s LEU 254 CO 0.14 -0.37 0.00 -0.24 0.23 0.00 0.00 176.35 176.11 2min n SER 255 N 5.07 -1.18 -3.74 2.29 2.88 -1.26 -4.26 113.62 113.41 2min n SER 255 Ca -0.12 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.12 2min n SER 255 Cb 0.47 -0.59 -0.14 0.00 -0.75 0.00 0.00 64.21 63.20 2min n SER 255 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2min s ASP 256 N 0.00 3.93 0.00 -3.46 2.15 0.36 -4.71 116.67 114.94 2min s ASP 256 Ca 0.00 -2.04 0.25 0.00 0.43 0.00 0.00 52.55 51.18 2min s ASP 256 Cb 0.00 -0.98 0.91 0.00 -0.30 0.00 0.00 42.92 42.55 2min s ASP 256 CO 0.00 -0.36 1.65 -0.81 -0.17 0.00 0.00 175.17 175.49 2min n PRO 257 N 4.32 1.71 0.30 4.34 -0.04 -1.26 -3.33 135.00 141.04 2min n PRO 257 Ca 0.03 -1.04 0.17 0.00 -0.04 0.00 0.00 63.50 62.61 2min n PRO 257 Cb 0.39 -1.44 0.96 0.00 -0.04 0.00 0.00 33.50 33.37 2min n PRO 257 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2min h GLU 258 N 2.33 0.00 0.04 0.54 -0.00 -1.93 -1.60 114.58 113.95 2min h GLU 258 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 2min h GLU 258 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.26 2min h GLU 258 CO 0.00 0.02 -0.22 0.93 -0.00 0.00 0.00 179.01 179.73 2min h GLU 259 N 0.00 0.08 0.00 1.06 4.39 -1.79 -3.28 114.58 115.03 2min h GLU 259 Ca -0.00 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 2min h GLU 259 Cb 0.06 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2min h GLU 259 CO 0.00 1.07 -0.13 -0.39 -1.16 0.00 0.00 179.01 178.40 2min h VAL 260 N -0.83 0.67 -0.42 3.13 -1.51 -1.29 -2.30 116.25 113.70 2min h VAL 260 Ca -0.04 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2min h VAL 260 Cb 1.18 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 2min h VAL 260 CO 0.04 0.13 0.00 0.18 -1.23 0.00 0.00 177.57 176.69 2min n LEU 261 N -3.75 4.40 -2.72 4.19 4.77 -0.66 -4.36 117.00 118.86 2min n LEU 261 Ca -0.02 -2.23 -0.08 0.00 -0.03 0.00 0.00 56.01 53.65 2min n LEU 261 Cb 0.24 -0.63 0.09 0.00 -2.33 0.00 0.00 43.42 40.80 2min n LEU 261 CO 0.31 0.53 0.40 -0.67 -1.33 0.00 0.00 177.39 176.63 2min n ASP 262 N 0.48 -2.19 -4.83 -1.43 2.03 -0.87 -4.93 116.55 104.81 2min n ASP 262 Ca 0.20 -3.44 -0.34 0.00 0.52 0.00 0.00 54.79 51.73 2min n ASP 262 Cb 0.92 1.82 -0.06 0.00 -0.72 0.00 0.00 41.12 43.08 2min n ASP 262 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2min s THR 263 N 0.24 4.62 0.39 5.18 -4.23 -1.22 -4.89 115.64 115.73 2min s THR 263 Ca 0.22 1.11 -0.27 0.00 -1.18 0.00 0.00 61.69 61.57 2min s THR 263 Cb 0.29 -3.71 -0.10 0.00 1.34 0.00 0.00 72.50 70.32 2min s THR 263 CO -0.07 -0.04 1.45 -2.16 -0.54 0.00 0.00 174.62 173.26 2min s PRO 264 N -2.60 4.01 -0.78 3.99 0.04 -1.26 -4.98 135.00 133.42 2min s PRO 264 Ca 0.50 2.48 -0.20 0.00 0.04 0.00 0.00 61.00 63.82 2min s PRO 264 Cb -0.13 -2.89 0.10 0.00 0.04 0.00 0.00 34.50 31.63 2min s PRO 264 CO 0.19 -0.57 1.02 0.00 0.04 0.00 0.00 177.00 177.67 2min s ALA 265 N -1.15 3.25 -0.09 8.56 0.00 -1.26 -4.80 121.76 126.27 2min s ALA 265 Ca 0.55 -2.31 0.13 0.00 0.00 0.00 0.00 51.96 50.32 2min s ALA 265 Cb -0.45 -3.93 0.25 0.00 0.00 0.00 0.00 23.12 19.00 2min s ALA 265 CO 0.60 -2.84 1.12 -0.40 0.00 0.00 0.00 175.76 174.24 2min n ASP 266 N 7.06 1.33 0.00 0.00 5.75 -1.26 -4.97 116.55 124.47 2min n ASP 266 Ca 0.09 -2.76 0.00 0.00 -0.01 0.00 0.00 54.79 52.11 2min n ASP 266 Cb 0.47 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 2min n ASP 266 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2min n GLY 267 N -0.66 0.36 2.99 6.12 0.00 -1.26 -5.06 105.19 107.69 2min n GLY 267 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2min n GLY 267 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2min s GLN 268 N -0.99 0.40 -0.07 1.61 -2.07 -1.26 -5.13 119.66 112.14 2min s GLN 268 Ca 0.00 -0.46 -0.22 0.00 -1.82 0.00 0.00 55.36 52.85 2min s GLN 268 Cb 0.00 -0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 31.65 2min s GLN 268 CO 0.00 0.05 0.65 0.12 -1.32 0.00 0.00 175.29 174.79 2min s PHE 269 N -0.83 3.57 -0.31 9.60 5.36 -1.26 -4.90 117.98 129.22 2min s PHE 269 Ca -0.06 1.17 -0.07 0.00 -0.96 0.00 0.00 56.93 57.01 2min s PHE 269 Cb -0.06 -2.74 0.02 0.00 -0.34 0.00 0.00 43.02 39.89 2min s PHE 269 CO -0.00 0.12 0.09 1.03 -1.46 0.00 0.00 175.22 174.99 2min s ARG 270 N 0.72 2.97 0.25 10.12 0.52 -1.26 -4.97 118.95 127.29 2min s ARG 270 Ca 0.35 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 2min s ARG 270 Cb -0.17 -3.40 0.31 0.00 0.52 0.00 0.00 34.95 32.21 2min s ARG 270 CO 0.16 -0.50 1.65 1.98 0.02 0.00 0.00 175.30 178.61 2min h MET 271 N 8.23 0.50 -5.65 3.54 1.85 -1.99 -3.45 114.93 117.96 2min h MET 271 Ca -0.29 -0.23 -0.46 0.00 -0.61 0.00 0.00 59.70 58.11 2min h MET 271 Cb 1.12 -0.01 -0.20 0.00 0.43 0.00 0.00 31.60 32.94 2min h MET 271 CO 0.61 0.78 -0.78 0.71 -0.40 0.00 0.00 176.91 177.83 2min s TYR 272 N -4.32 1.51 -0.28 1.39 2.02 -1.26 -4.89 117.35 111.51 2min s TYR 272 Ca -0.07 -0.49 -0.20 0.00 -0.37 0.00 0.00 57.07 55.94 2min s TYR 272 Cb 0.13 -0.80 0.11 0.00 -0.40 0.00 0.00 41.96 41.00 2min s TYR 272 CO 0.81 0.17 0.89 0.00 -1.57 0.00 0.00 175.55 175.84 2min s ALA 273 N -1.70 -2.02 0.00 3.71 0.00 -1.26 -4.98 121.76 115.51 2min s ALA 273 Ca 0.07 2.13 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2min s ALA 273 Cb -0.07 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2min s ALA 273 CO 0.04 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2min n GLY 274 N 3.22 2.58 0.00 0.00 0.00 -1.26 -2.96 105.19 106.76 2min n GLY 274 Ca -0.16 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2min n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2min n GLY 275 N 0.00 0.28 3.73 -0.02 0.00 -1.21 -3.90 105.19 104.07 2min n GLY 275 Ca 0.00 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 2min n GLY 275 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2min s THR 276 N -2.48 3.46 0.61 2.61 2.01 0.04 -4.24 115.64 117.65 2min s THR 276 Ca 0.00 1.14 -0.11 0.00 0.31 0.00 0.00 61.69 63.03 2min s THR 276 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2min s THR 276 CO 0.00 0.14 1.02 0.42 -0.69 0.00 0.00 174.62 175.51 2min s THR 277 N 0.43 4.70 0.32 -0.82 -4.23 -1.26 -0.43 115.64 114.36 2min s THR 277 Ca 0.58 0.89 0.02 0.00 -1.18 0.00 0.00 61.69 61.99 2min s THR 277 Cb -0.34 -3.86 0.17 0.00 1.34 0.00 0.00 72.50 69.81 2min s THR 277 CO 0.35 -1.11 1.88 1.56 -0.54 0.00 0.00 174.62 176.76 2min h GLN 278 N -0.21 0.67 -0.86 3.99 4.20 -1.95 -1.66 115.11 119.29 2min h GLN 278 Ca -0.44 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.11 2min h GLN 278 Cb 1.19 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 2min h GLN 278 CO 0.62 0.62 0.43 1.49 -0.67 0.00 0.00 178.83 181.31 2min h GLU 279 N 0.65 1.23 -0.45 1.46 4.57 -1.99 -0.40 114.58 119.65 2min h GLU 279 Ca 0.15 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 2min h GLU 279 Cb 0.25 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2min h GLU 279 CO -0.00 0.93 0.03 0.93 -1.18 0.00 0.00 179.01 179.72 2min h GLU 280 N 1.22 0.71 -0.35 1.92 5.08 -1.70 -1.51 114.58 119.95 2min h GLU 280 Ca 0.30 -0.17 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 2min h GLU 280 Cb 0.10 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2min h GLU 280 CO -0.04 0.70 -0.43 1.98 -1.00 0.00 0.00 179.01 180.22 2min h MET 281 N 0.68 0.91 -0.22 2.33 4.05 -0.81 -1.01 114.93 120.85 2min h MET 281 Ca 0.14 -0.51 -0.13 0.00 -0.28 0.00 0.00 59.70 58.92 2min h MET 281 Cb 0.37 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 2min h MET 281 CO 0.01 1.16 -0.40 0.87 0.23 0.00 0.00 176.91 178.78 2min h LYS 282 N 0.72 0.52 -0.00 0.39 1.57 -0.92 -2.80 116.57 116.05 2min h LYS 282 Ca 0.05 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2min h LYS 282 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2min h LYS 282 CO 0.10 0.83 -0.16 -3.47 -0.57 0.00 0.00 179.45 176.19 2min n ASP 283 N -4.03 0.17 0.14 0.86 2.03 -0.59 -4.29 116.55 110.84 2min n ASP 283 Ca -0.02 0.24 0.16 0.00 0.52 0.00 0.00 54.79 55.69 2min n ASP 283 Cb 0.51 -0.25 0.72 0.00 -0.72 0.00 0.00 41.12 41.38 2min n ASP 283 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2min h ALA 284 N 3.02 2.14 -0.28 -1.67 0.00 -0.90 -1.84 119.26 119.73 2min h ALA 284 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2min h ALA 284 Cb 0.50 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2min h ALA 284 CO 0.00 -0.36 0.20 -1.35 0.00 0.00 0.00 179.25 177.74 2min h PRO 285 N 0.00 0.15 0.00 0.00 0.11 -1.81 -2.88 132.00 127.57 2min h PRO 285 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2min h PRO 285 Cb 0.57 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2min h PRO 285 CO -0.00 0.10 0.00 0.09 -0.21 0.00 0.00 178.00 177.98 2min n ASN 286 N -4.48 0.00 -4.75 -2.05 5.03 -0.69 -4.38 115.26 103.94 2min n ASN 286 Ca 0.03 0.03 -0.33 0.00 0.87 0.00 0.00 54.58 55.19 2min n ASN 286 Cb 0.25 -0.30 0.07 0.00 -1.02 0.00 0.00 39.78 38.79 2min n ASN 286 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2min s ALA 287 N -2.59 2.29 0.15 5.41 0.00 -1.09 -0.70 121.76 125.22 2min s ALA 287 Ca 0.18 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 2min s ALA 287 Cb 0.13 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.95 2min s ALA 287 CO 0.30 -1.60 1.76 -0.07 0.00 0.00 0.00 175.76 176.15 2min h LEU 288 N -0.39 0.16 -7.95 0.00 3.38 -1.05 -2.55 115.31 106.91 2min h LEU 288 Ca -0.46 0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.61 2min h LEU 288 Cb 1.25 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2min h LEU 288 CO 0.52 0.13 0.38 0.21 0.09 0.00 0.00 178.44 179.77 2min s ASN 289 N -5.37 -0.05 -0.07 -0.43 3.84 -1.26 -4.63 114.94 106.97 2min s ASN 289 Ca -0.13 -0.86 0.02 0.00 0.21 0.00 0.00 52.86 52.10 2min s ASN 289 Cb 0.12 0.70 0.01 0.00 -0.55 0.00 0.00 41.25 41.53 2min s ASN 289 CO 0.71 -1.36 -0.12 -0.89 -2.79 0.00 0.00 177.10 172.65 2min s THR 290 N -2.61 1.15 -0.15 -5.21 2.01 -1.26 -1.64 115.64 107.93 2min s THR 290 Ca 0.16 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 2min s THR 290 Cb -0.04 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2min s THR 290 CO 0.08 0.36 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.66 2min s VAL 291 N 0.80 4.02 -0.36 3.82 1.01 0.82 -4.24 120.40 126.26 2min s VAL 291 Ca -0.12 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 2min s VAL 291 Cb -0.15 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.50 2min s VAL 291 CO 0.02 0.50 0.18 -0.76 0.00 0.00 0.00 175.10 175.04 2min s LEU 292 N 0.22 4.61 0.36 3.92 1.43 -1.26 -1.40 118.68 126.57 2min s LEU 292 Ca -0.02 -1.02 0.10 0.00 -1.03 0.00 0.00 54.13 52.16 2min s LEU 292 Cb -0.14 -1.98 0.70 0.00 0.03 0.00 0.00 46.19 44.80 2min s LEU 292 CO 0.03 -0.37 1.84 -0.07 0.23 0.00 0.00 176.35 178.01 2min h LEU 293 N 8.38 0.15 -6.38 1.79 3.38 -1.57 -3.32 115.31 117.74 2min h LEU 293 Ca -0.25 -0.04 -0.60 0.00 0.09 0.00 0.00 57.88 57.08 2min h LEU 293 Cb 1.10 -0.04 -0.41 0.00 0.09 0.00 0.00 40.66 41.40 2min h LEU 293 CO 0.65 0.43 -0.67 0.00 0.09 0.00 0.00 178.44 178.93 2min n GLN 294 N -4.17 2.01 0.00 1.13 6.02 -1.26 -3.75 117.38 117.37 2min n GLN 294 Ca -0.01 -4.37 -0.01 0.00 -0.01 0.00 0.00 57.00 52.60 2min n GLN 294 Cb 0.36 -2.10 0.27 0.00 1.02 0.00 0.00 30.24 29.79 2min n GLN 294 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2min h PRO 295 N 4.51 0.52 0.00 -1.09 0.13 -1.86 -2.81 132.00 131.39 2min h PRO 295 Ca 0.18 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2min h PRO 295 Cb 0.72 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2min h PRO 295 CO 0.74 0.60 0.00 0.91 -0.23 0.00 0.00 178.00 180.01 2min n TRP 296 N -4.24 0.00 -1.75 1.56 7.02 -1.26 -1.57 117.44 117.20 2min n TRP 296 Ca 0.01 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.54 2min n TRP 296 Cb 0.29 -0.28 0.08 0.00 -2.42 0.00 0.00 31.31 28.98 2min n TRP 296 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 2min n HIS 297 N -1.28 0.00 -2.01 -5.99 1.44 -1.06 -4.77 115.22 101.56 2min n HIS 297 Ca 0.04 -0.60 -0.05 0.00 -2.01 0.00 0.00 57.72 55.09 2min n HIS 297 Cb 0.06 -0.13 0.10 0.00 0.12 0.00 0.00 29.99 30.14 2min n HIS 297 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2min n LEU 298 N -0.50 3.13 -0.03 2.39 4.77 -0.61 -4.37 117.00 121.77 2min n LEU 298 Ca 0.09 -3.85 -0.11 0.00 -0.03 0.00 0.00 56.01 52.11 2min n LEU 298 Cb 0.76 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 2min n LEU 298 CO -0.01 1.49 0.87 -0.33 -1.33 0.00 0.00 177.39 178.08 2min h GLU 299 N 1.59 0.21 -0.74 3.23 4.39 -1.86 -0.63 114.58 120.78 2min h GLU 299 Ca 0.08 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2min h GLU 299 Cb 1.34 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.92 2min h GLU 299 CO 0.30 0.26 0.38 -0.22 -1.16 0.00 0.00 179.01 178.57 2min h LYS 300 N 0.11 1.05 -0.70 2.33 3.64 -1.93 -1.59 116.57 119.49 2min h LYS 300 Ca 0.05 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 2min h LYS 300 Cb 0.12 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 2min h LYS 300 CO -0.01 0.81 0.23 1.15 -2.27 0.00 0.00 179.45 179.36 2min h THR 301 N 1.03 1.26 -0.40 1.00 2.02 -1.75 -1.50 112.91 114.56 2min h THR 301 Ca 0.26 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 2min h THR 301 Cb 0.08 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 2min h THR 301 CO -0.04 0.34 0.19 0.50 0.37 0.00 0.00 175.52 176.89 2min h LYS 302 N 1.02 0.58 -0.82 6.66 3.64 -0.58 0.19 116.57 127.26 2min h LYS 302 Ca 0.23 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2min h LYS 302 Cb 0.29 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2min h LYS 302 CO -0.01 0.51 0.54 0.87 -2.27 0.00 0.00 179.45 179.09 2min h LYS 303 N 0.51 1.05 -0.08 1.90 1.57 -1.09 -0.69 116.57 119.74 2min h LYS 303 Ca 0.14 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2min h LYS 303 Cb 0.12 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2min h LYS 303 CO -0.02 0.69 -0.11 0.35 -0.57 0.00 0.00 179.45 179.80 2min h PHE 304 N 1.08 0.26 -0.03 -1.35 3.57 -0.77 0.29 116.94 119.98 2min h PHE 304 Ca 0.31 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 2min h PHE 304 Cb -0.08 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2min h PHE 304 CO -0.02 0.68 -0.31 -0.39 -2.23 0.00 0.00 178.31 176.04 2min h VAL 305 N -0.24 1.23 0.01 1.41 -1.51 -0.79 0.12 116.25 116.48 2min h VAL 305 Ca 0.01 -1.11 -0.01 0.00 -1.23 0.00 0.00 66.70 64.36 2min h VAL 305 Cb 0.65 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2min h VAL 305 CO 0.02 0.32 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.31 2min h GLU 306 N 0.05 0.02 -0.06 5.19 5.08 -1.13 -1.95 114.58 121.78 2min h GLU 306 Ca 0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2min h GLU 306 Cb 0.57 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2min h GLU 306 CO 0.04 0.95 0.00 0.78 -1.00 0.00 0.00 179.01 179.78 2min h GLY 307 N -0.89 0.11 0.00 -3.84 0.00 -0.85 -2.02 103.07 95.59 2min h GLY 307 Ca -0.01 -0.08 -0.33 0.00 0.00 0.00 0.00 47.33 46.91 2min h GLY 307 CO 0.01 0.07 -1.83 2.41 0.00 0.00 0.00 176.54 177.21 2min n THR 308 N -4.88 1.53 0.61 4.70 -1.04 0.02 -4.30 114.28 110.92 2min n THR 308 Ca -0.07 -0.18 0.12 0.00 -2.04 0.00 0.00 64.05 61.88 2min n THR 308 Cb 0.18 -1.97 0.45 0.00 -1.82 0.00 0.00 70.33 67.17 2min n THR 308 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2min n TRP 309 N -4.35 0.69 -3.38 -1.42 7.02 -1.03 -4.92 117.44 110.05 2min n TRP 309 Ca -0.42 0.23 -0.23 0.00 -1.02 0.00 0.00 57.50 56.05 2min n TRP 309 Cb 0.77 -0.87 0.06 0.00 -2.42 0.00 0.00 31.31 28.86 2min n TRP 309 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2min n LYS 310 N -2.09 -6.81 -3.58 -0.99 4.76 -0.76 -4.89 118.16 103.80 2min n LYS 310 Ca 0.05 0.85 -0.38 0.00 -2.87 0.00 0.00 58.31 55.95 2min n LYS 310 Cb 0.34 -5.80 -0.06 0.00 -1.84 0.00 0.00 35.03 27.68 2min n LYS 310 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2min s HIS 311 N -3.27 3.69 -1.21 2.13 3.76 -0.88 -4.98 115.29 114.53 2min s HIS 311 Ca 0.48 0.89 -0.12 0.00 -0.15 0.00 0.00 55.06 56.16 2min s HIS 311 Cb -0.21 -2.22 0.19 0.00 1.11 0.00 0.00 32.58 31.45 2min s HIS 311 CO 0.60 0.65 1.49 0.39 -0.85 0.00 0.00 174.74 177.02 2min n GLU 312 N 1.91 3.48 -1.61 1.40 1.02 -1.26 -4.21 120.64 121.37 2min n GLU 312 Ca -0.15 -3.89 -0.53 0.00 -0.02 0.00 0.00 57.16 52.58 2min n GLU 312 Cb 0.53 -2.94 -0.07 0.00 -0.02 0.00 0.00 31.44 28.94 2min n GLU 312 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2min n VAL 313 N 4.00 0.34 -1.98 2.62 0.31 -1.26 -4.87 118.33 117.49 2min n VAL 313 Ca 0.36 -0.14 -0.40 0.00 -0.01 0.00 0.00 64.34 64.15 2min n VAL 313 Cb 0.41 -1.54 -0.00 0.00 -0.91 0.00 0.00 33.84 31.79 2min n VAL 313 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2min s PRO 314 N 4.64 4.01 -0.95 5.55 0.02 -1.26 -4.90 135.00 142.11 2min s PRO 314 Ca 1.01 2.28 -0.23 0.00 0.02 0.00 0.00 61.00 64.08 2min s PRO 314 Cb -0.90 -2.83 0.05 0.00 0.02 0.00 0.00 34.50 30.85 2min s PRO 314 CO 0.56 -0.51 1.38 0.21 -0.33 0.00 0.00 177.00 178.32 2min s LYS 315 N -2.18 3.49 0.04 5.54 2.47 -1.26 -4.83 119.74 123.01 2min s LYS 315 Ca 0.56 -0.98 0.07 0.00 -1.56 0.00 0.00 55.97 54.05 2min s LYS 315 Cb -0.41 -5.05 -0.02 0.00 -1.46 0.00 0.00 37.83 30.89 2min s LYS 315 CO 0.53 -2.15 -0.20 -0.51 0.16 0.00 0.00 175.35 173.18 2min s LEU 316 N 4.94 2.15 0.73 5.43 1.43 -1.26 -5.12 118.68 126.97 2min s LEU 316 Ca 0.42 -0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 52.94 2min s LEU 316 Cb -0.02 -0.92 0.05 0.00 0.03 0.00 0.00 46.19 45.33 2min s LEU 316 CO -0.04 0.15 1.08 0.20 0.23 0.00 0.00 176.35 177.96 2min s ASN 317 N -1.09 4.89 0.25 2.29 -0.87 -1.26 -4.77 114.94 114.38 2min s ASN 317 Ca 0.07 0.71 -0.31 0.00 -1.57 0.00 0.00 52.86 51.76 2min s ASN 317 Cb -0.08 -1.37 -0.13 0.00 -0.02 0.00 0.00 41.25 39.65 2min s ASN 317 CO 0.01 -1.61 1.52 0.00 -2.57 0.00 0.00 177.10 174.45 2min n ILE 318 N -3.04 0.80 -1.25 0.60 3.06 -1.25 -4.83 119.36 113.45 2min n ILE 318 Ca 0.07 -0.20 -0.42 0.00 -2.50 0.00 0.00 62.75 59.70 2min n ILE 318 Cb 0.60 -1.69 -0.04 0.00 0.54 0.00 0.00 39.64 39.04 2min n ILE 318 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 2min n PRO 319 N 2.38 1.80 -5.06 9.51 -0.04 -1.26 -4.77 135.00 137.55 2min n PRO 319 Ca 0.11 -1.98 -0.30 0.00 -0.04 0.00 0.00 63.50 61.30 2min n PRO 319 Cb 0.33 -2.97 -0.15 0.00 -0.04 0.00 0.00 33.50 30.67 2min n PRO 319 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2min s MET 320 N 4.58 1.87 0.07 0.54 -1.94 -1.26 -0.69 119.30 122.47 2min s MET 320 Ca 0.55 -0.98 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 2min s MET 320 Cb 0.14 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 35.07 2min s MET 320 CO 0.07 0.51 0.00 0.41 -0.01 0.00 0.00 175.02 176.00 2min n GLY 321 N 2.15 -2.22 0.13 -0.03 0.00 -1.26 -4.10 105.19 99.86 2min n GLY 321 Ca -0.16 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 2min n GLY 321 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2min h LEU 322 N 0.00 -0.18 -0.40 0.99 5.85 -1.95 -2.79 115.31 116.84 2min h LEU 322 Ca 0.00 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 2min h LEU 322 Cb 0.17 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2min h LEU 322 CO 0.00 0.32 0.05 0.44 -0.34 0.00 0.00 178.44 178.90 2min h ASP 323 N -0.73 0.65 1.55 1.25 3.32 -1.98 -1.92 116.42 118.55 2min h ASP 323 Ca -0.02 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 2min h ASP 323 Cb 0.52 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 2min h ASP 323 CO 0.03 0.76 -0.10 -0.50 -1.72 0.00 0.00 179.24 177.72 2min h TRP 324 N 0.52 0.00 0.00 4.55 6.55 -1.71 0.26 115.95 126.12 2min h TRP 324 Ca 0.12 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.71 2min h TRP 324 Cb 0.40 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.71 2min h TRP 324 CO 0.03 0.10 -1.00 1.15 -1.05 0.00 0.00 178.44 177.66 2min h THR 325 N 0.00 1.33 0.40 1.49 2.02 -1.35 -1.95 112.91 114.85 2min h THR 325 Ca -0.00 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 64.83 2min h THR 325 Cb 0.90 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2min h THR 325 CO 0.01 0.71 -0.27 0.44 0.37 0.00 0.00 175.52 176.78 2min h ASP 326 N 0.32 -0.70 -0.98 4.18 3.32 -0.88 -1.13 116.42 120.56 2min h ASP 326 Ca -0.11 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.06 2min h ASP 326 Cb 1.65 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 41.34 2min h ASP 326 CO 0.19 -0.42 0.62 -0.33 -1.72 0.00 0.00 179.24 177.58 2min h GLU 327 N -0.65 1.07 0.16 3.56 5.08 -1.01 0.12 114.58 122.91 2min h GLU 327 Ca -0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2min h GLU 327 Cb 0.55 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2min h GLU 327 CO 0.02 0.71 -0.08 0.35 -1.00 0.00 0.00 179.01 179.01 2min h PHE 328 N 1.10 -0.20 -0.42 4.33 3.57 -1.09 -0.78 116.94 123.45 2min h PHE 328 Ca 0.44 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2min h PHE 328 Cb 0.23 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2min h PHE 328 CO -0.01 -0.11 0.27 -0.07 -2.23 0.00 0.00 178.31 176.17 2min h LEU 329 N -0.23 0.48 -0.95 0.59 4.07 -0.29 -0.34 115.31 118.64 2min h LEU 329 Ca -0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 2min h LEU 329 Cb 0.18 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 2min h LEU 329 CO 0.04 0.35 0.30 0.24 -1.08 0.00 0.00 178.44 178.28 2min h MET 330 N 0.56 1.06 -0.35 1.13 2.86 -0.98 0.11 114.93 119.33 2min h MET 330 Ca 0.15 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 2min h MET 330 Cb -0.06 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 2min h MET 330 CO -0.03 0.85 -0.12 -0.22 1.06 0.00 0.00 176.91 178.45 2min h LYS 331 N 1.04 0.69 -0.85 1.72 1.63 -0.65 -1.33 116.57 118.81 2min h LYS 331 Ca 0.24 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2min h LYS 331 Cb 0.18 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 2min h LYS 331 CO -0.02 0.87 0.48 0.28 -3.45 0.00 0.00 179.45 177.61 2min h VAL 332 N 0.47 1.24 -0.10 2.00 2.07 -0.75 -0.74 116.25 120.44 2min h VAL 332 Ca 0.08 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2min h VAL 332 Cb 0.64 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2min h VAL 332 CO 0.04 0.27 0.05 -1.28 0.02 0.00 0.00 177.57 176.67 2min h SER 333 N 1.19 0.13 0.56 0.57 0.87 -0.81 -1.59 113.55 114.46 2min h SER 333 Ca 0.30 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2min h SER 333 Cb -0.00 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 2min h SER 333 CO -0.05 0.19 -0.48 -0.08 -0.53 0.00 0.00 176.83 175.88 2min h GLU 334 N 0.06 -0.97 -0.86 2.24 4.81 -0.73 0.43 114.58 119.55 2min h GLU 334 Ca 0.04 0.07 0.17 0.00 -0.13 0.00 0.00 59.36 59.50 2min h GLU 334 Cb 0.09 0.22 -0.10 0.00 0.63 0.00 0.00 28.75 29.59 2min h GLU 334 CO -0.01 -0.65 0.43 0.82 -0.73 0.00 0.00 179.01 178.87 2min h ILE 335 N -1.01 0.66 -0.01 2.32 1.08 -1.12 -3.01 117.51 116.42 2min h ILE 335 Ca -0.07 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2min h ILE 335 Cb 0.85 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 2min h ILE 335 CO -0.01 0.10 -0.46 -1.54 -0.69 0.00 0.00 178.15 175.55 2min n SER 336 N -4.92 1.79 0.00 1.72 3.41 -0.60 -4.97 113.62 110.04 2min n SER 336 Ca 0.19 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 2min n SER 336 Cb 0.50 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 2min n SER 336 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2min n GLY 337 N 1.32 0.20 3.72 5.00 0.00 0.15 -4.98 105.19 110.60 2min n GLY 337 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2min n GLY 337 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2min s GLN 338 N -1.19 4.58 0.46 1.61 -1.52 -1.19 -5.02 119.66 117.38 2min s GLN 338 Ca 0.00 1.29 -0.23 0.00 -1.95 0.00 0.00 55.36 54.47 2min s GLN 338 Cb 0.00 -3.41 -0.07 0.00 -0.22 0.00 0.00 33.01 29.30 2min s GLN 338 CO 0.00 0.11 1.22 -1.25 -0.25 0.00 0.00 175.29 175.12 2min s PRO 339 N 0.46 3.71 -0.13 2.91 0.04 -1.26 -4.39 135.00 136.33 2min s PRO 339 Ca 0.46 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 2min s PRO 339 Cb -0.21 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 2min s PRO 339 CO 0.26 -0.63 1.54 0.42 0.04 0.00 0.00 177.00 178.63 2min s ILE 340 N -1.45 3.80 0.81 0.56 1.01 -1.26 -4.87 121.20 119.80 2min s ILE 340 Ca 0.63 0.95 -0.11 0.00 0.00 0.00 0.00 60.65 62.12 2min s ILE 340 Cb -0.32 -3.67 0.08 0.00 0.01 0.00 0.00 42.46 38.55 2min s ILE 340 CO 0.39 -0.15 1.09 -2.16 0.00 0.00 0.00 174.94 174.11 2min s PRO 341 N 4.08 1.95 0.56 2.79 0.04 -1.26 -4.87 135.00 138.29 2min s PRO 341 Ca 0.68 0.98 0.24 0.00 0.04 0.00 0.00 61.00 62.94 2min s PRO 341 Cb -0.28 -1.88 1.57 0.00 0.04 0.00 0.00 34.50 33.95 2min s PRO 341 CO 0.26 -1.80 2.17 0.00 0.04 0.00 0.00 177.00 177.66 2min h ALA 342 N -1.24 1.82 -0.19 8.56 0.00 -1.95 -2.09 119.26 124.17 2min h ALA 342 Ca -0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2min h ALA 342 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2min h ALA 342 CO 0.54 -0.10 0.07 0.66 0.00 0.00 0.00 179.25 180.41 2min h SER 343 N 0.00 0.26 0.25 0.00 4.64 -1.96 -0.57 113.55 116.17 2min h SER 343 Ca 0.03 -0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 61.03 2min h SER 343 Cb 0.17 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2min h SER 343 CO -0.00 0.37 -0.55 -0.07 -0.87 0.00 0.00 176.83 175.72 2min h LEU 344 N 0.14 0.36 -0.68 5.97 3.38 -1.77 -0.24 115.31 122.47 2min h LEU 344 Ca 0.06 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2min h LEU 344 Cb 0.20 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2min h LEU 344 CO -0.00 0.84 0.01 0.74 0.09 0.00 0.00 178.44 180.11 2min h THR 345 N 0.25 1.26 -0.07 0.22 2.02 -1.33 -0.39 112.91 114.87 2min h THR 345 Ca 0.00 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 2min h THR 345 Cb 1.04 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2min h THR 345 CO 0.09 0.41 0.02 0.50 0.37 0.00 0.00 175.52 176.91 2min h LYS 346 N 0.95 0.11 -0.94 6.66 1.63 -0.73 -2.53 116.57 121.71 2min h LYS 346 Ca 0.17 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.01 2min h LYS 346 Cb 0.53 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.09 2min h LYS 346 CO 0.03 0.28 0.61 1.49 -3.45 0.00 0.00 179.45 178.41 2min h GLU 347 N -0.07 1.07 -0.29 1.90 4.81 -0.86 0.48 114.58 121.62 2min h GLU 347 Ca 0.02 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2min h GLU 347 Cb 0.21 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2min h GLU 347 CO -0.00 0.71 0.16 -0.09 -0.73 0.00 0.00 179.01 179.06 2min h ARG 348 N 1.10 0.40 0.00 1.92 2.43 -0.93 -2.11 114.38 117.20 2min h ARG 348 Ca 0.40 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.45 2min h ARG 348 Cb 0.16 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2min h ARG 348 CO -0.15 0.34 -0.36 0.78 -1.51 0.00 0.00 179.97 179.07 2min h GLY 349 N 0.35 0.00 1.87 2.80 0.00 -0.72 -1.29 103.07 106.07 2min h GLY 349 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.30 2min h GLY 349 CO -0.02 0.00 -0.57 3.21 0.00 0.00 0.00 176.54 179.16 2min h ARG 350 N 0.00 0.14 -0.20 4.80 3.08 -0.57 0.16 114.38 121.79 2min h ARG 350 Ca -0.00 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 2min h ARG 350 Cb 0.68 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 2min h ARG 350 CO 0.05 0.67 -0.22 1.25 -1.07 0.00 0.00 179.97 180.65 2min h LEU 351 N 0.11 0.55 -1.21 3.04 5.85 -0.63 -1.72 115.31 121.30 2min h LEU 351 Ca -0.00 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2min h LEU 351 Cb 1.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2min h LEU 351 CO 0.08 0.92 0.15 0.58 -0.34 0.00 0.00 178.44 179.83 2min h VAL 352 N 0.18 1.19 -0.62 1.05 2.07 -1.05 -0.89 116.25 118.19 2min h VAL 352 Ca 0.03 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 2min h VAL 352 Cb 0.77 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2min h VAL 352 CO 0.05 0.25 0.07 -0.78 0.02 0.00 0.00 177.57 177.18 2min h ASP 353 N 0.69 0.99 -0.66 0.57 3.58 -0.47 -1.54 116.42 119.58 2min h ASP 353 Ca 0.16 -0.24 -0.08 0.00 0.42 0.00 0.00 57.03 57.29 2min h ASP 353 Cb 0.20 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2min h ASP 353 CO -0.01 1.01 0.12 0.24 -2.88 0.00 0.00 179.24 177.71 2min h MET 354 N 0.97 1.10 -0.72 0.28 2.86 -0.34 -2.43 114.93 116.65 2min h MET 354 Ca 0.19 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2min h MET 354 Cb 0.45 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2min h MET 354 CO 0.02 1.00 0.35 0.52 1.06 0.00 0.00 176.91 179.85 2min h MET 355 N 1.03 1.02 -0.22 1.72 2.86 -0.78 -1.27 114.93 119.29 2min h MET 355 Ca 0.20 -0.14 -0.17 0.00 -2.06 0.00 0.00 59.70 57.54 2min h MET 355 Cb 0.43 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2min h MET 355 CO 0.01 0.79 -0.54 1.79 1.06 0.00 0.00 176.91 180.02 2min h THR 356 N 1.02 1.31 -0.06 2.22 1.35 -1.12 -1.92 112.91 115.69 2min h THR 356 Ca 0.25 -1.77 -0.13 0.00 -0.55 0.00 0.00 66.41 64.22 2min h THR 356 Cb 0.10 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 2min h THR 356 CO -0.03 0.56 -0.54 0.44 -0.25 0.00 0.00 175.52 175.69 2min h ASP 357 N 0.51 0.19 -0.18 5.36 3.32 -1.16 -3.26 116.42 121.19 2min h ASP 357 Ca 0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2min h ASP 357 Cb 1.10 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2min h ASP 357 CO 0.11 0.70 0.00 -1.20 -1.72 0.00 0.00 179.24 177.13 2min n SER 358 N -3.91 2.99 0.21 6.45 7.64 -0.50 -4.71 113.62 121.78 2min n SER 358 Ca -0.02 -1.90 0.05 0.00 1.01 0.00 0.00 58.87 58.01 2min n SER 358 Cb 0.57 -0.11 0.44 0.00 -1.01 0.00 0.00 64.21 64.10 2min n SER 358 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2min h HIS 359 N 4.04 0.00 0.00 1.43 2.07 -1.39 -2.60 115.15 118.70 2min h HIS 359 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 2min h HIS 359 Cb 0.89 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.87 2min h HIS 359 CO 0.11 0.30 -0.11 1.79 -3.07 0.00 0.00 177.93 176.95 2min h THR 360 N 0.00 0.25 0.00 6.12 1.35 -1.85 -0.87 112.91 117.91 2min h THR 360 Ca -0.00 -0.94 -0.19 0.00 -0.55 0.00 0.00 66.41 64.73 2min h THR 360 Cb 0.58 1.76 -0.03 0.00 -1.73 0.00 0.00 68.15 68.73 2min h THR 360 CO 0.04 0.11 -1.55 0.79 -0.25 0.00 0.00 175.52 174.66 2min n TRP 361 N -3.20 0.86 0.05 4.73 7.02 -1.00 -4.15 117.44 121.75 2min n TRP 361 Ca 0.01 0.29 -0.04 0.00 -1.02 0.00 0.00 57.50 56.74 2min n TRP 361 Cb 0.42 -1.06 -0.09 0.00 -2.42 0.00 0.00 31.31 28.16 2min n TRP 361 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2min h LEU 362 N 0.00 0.00 -9.34 -0.99 3.38 -1.34 -3.45 115.31 103.57 2min h LEU 362 Ca -0.20 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.16 2min h LEU 362 Cb 1.65 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.43 2min h LEU 362 CO 0.05 0.81 1.00 1.57 0.09 0.00 0.00 178.44 181.96 2min n HIS 363 N -3.16 2.30 -1.02 1.13 -0.00 -0.35 -1.62 115.22 112.50 2min n HIS 363 Ca -0.05 0.08 -0.01 0.00 0.46 0.00 0.00 57.72 58.21 2min n HIS 363 Cb 0.90 -2.62 -0.00 0.00 -0.12 0.00 0.00 29.99 28.14 2min n HIS 363 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2min n GLY 364 N 4.10 0.40 3.74 1.57 0.00 0.24 -4.99 105.19 110.26 2min n GLY 364 Ca 0.21 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2min n GLY 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2min s LYS 365 N -0.81 4.43 -0.20 1.61 -0.14 -0.64 -4.64 119.74 119.35 2min s LYS 365 Ca 0.00 1.99 -0.10 0.00 -1.36 0.00 0.00 55.97 56.49 2min s LYS 365 Cb 0.00 -3.21 -0.05 0.00 -1.68 0.00 0.00 37.83 32.89 2min s LYS 365 CO 0.00 -0.19 0.15 1.03 -0.76 0.00 0.00 175.35 175.58 2min s ARG 366 N -0.22 4.19 0.07 1.68 0.52 -1.26 -0.46 118.95 123.47 2min s ARG 366 Ca 0.55 -0.19 0.06 0.00 -0.52 0.00 0.00 55.73 55.63 2min s ARG 366 Cb -0.35 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.66 2min s ARG 366 CO 0.38 0.28 -0.17 -0.06 0.02 0.00 0.00 175.30 175.76 2min s PHE 367 N 0.41 1.42 -0.09 -0.53 0.40 -0.47 -0.40 117.98 118.72 2min s PHE 367 Ca 0.09 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 55.99 2min s PHE 367 Cb -0.11 -0.81 -0.03 0.00 0.51 0.00 0.00 43.02 42.58 2min s PHE 367 CO -0.01 0.10 -0.03 0.00 0.70 0.00 0.00 175.22 175.98 2min s ALA 368 N -1.11 3.14 0.12 5.36 0.00 -0.65 -1.28 121.76 127.35 2min s ALA 368 Ca 0.02 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 2min s ALA 368 Cb -0.09 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.62 2min s ALA 368 CO 0.03 0.51 0.33 -0.48 0.00 0.00 0.00 175.76 176.14 2min s LEU 369 N -0.61 0.78 0.29 0.00 -0.00 0.17 -0.80 118.68 118.51 2min s LEU 369 Ca 0.10 -0.49 -0.10 0.00 -0.00 0.00 0.00 54.13 53.63 2min s LEU 369 Cb -0.12 1.53 0.00 0.00 -0.00 0.00 0.00 46.19 47.60 2min s LEU 369 CO 0.02 -0.83 0.51 -1.66 -0.00 0.00 0.00 176.35 174.39 2min s TRP 370 N -3.84 0.55 -5.00 3.48 -2.14 -1.13 -1.25 118.94 109.61 2min s TRP 370 Ca 0.05 -0.91 0.00 0.00 2.66 0.00 0.00 56.10 57.90 2min s TRP 370 Cb 0.03 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.57 2min s TRP 370 CO -0.10 -1.10 0.00 0.41 -2.66 0.00 0.00 176.95 173.50 2min n GLY 371 N -0.45 0.43 3.82 3.67 0.00 -1.21 -4.74 105.19 106.70 2min n GLY 371 Ca -0.02 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 2min n GLY 371 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2min s ASP 372 N -4.00 5.89 0.20 1.61 1.01 -1.26 -4.56 116.67 115.56 2min s ASP 372 Ca 0.00 1.69 -0.13 0.00 0.71 0.00 0.00 52.55 54.82 2min s ASP 372 Cb 0.00 -2.52 0.23 0.00 1.01 0.00 0.00 42.92 41.64 2min s ASP 372 CO 0.00 -1.10 1.64 -0.65 0.21 0.00 0.00 175.17 175.28 2min h PRO 373 N 0.21 0.03 -0.15 8.23 0.11 -1.95 -1.04 132.00 137.44 2min h PRO 373 Ca -0.46 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 2min h PRO 373 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2min h PRO 373 CO 0.58 0.02 -0.29 -0.44 -0.21 0.00 0.00 178.00 177.67 2min h ASP 374 N 0.03 0.50 -0.50 -2.05 3.32 -1.93 -2.59 116.42 113.20 2min h ASP 374 Ca 0.29 -0.55 0.05 0.00 0.02 0.00 0.00 57.03 56.83 2min h ASP 374 Cb 0.45 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2min h ASP 374 CO -0.58 0.96 0.25 0.15 -1.72 0.00 0.00 179.24 178.30 2min h PHE 375 N 0.07 0.45 0.01 4.55 3.57 -1.82 -2.28 116.94 121.49 2min h PHE 375 Ca 0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2min h PHE 375 Cb 0.88 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.49 2min h PHE 375 CO 0.10 0.22 -0.01 0.28 -2.23 0.00 0.00 178.31 176.67 2min h VAL 376 N 0.48 1.00 -0.05 1.41 2.07 -1.18 -1.65 116.25 118.34 2min h VAL 376 Ca 0.22 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 2min h VAL 376 Cb 0.14 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2min h VAL 376 CO -0.16 0.01 -0.30 0.00 0.02 0.00 0.00 177.57 177.15 2min h MET 377 N -0.04 0.10 -0.46 1.57 -0.00 -1.32 0.27 114.93 115.04 2min h MET 377 Ca -0.00 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.70 59.57 2min h MET 377 Cb 0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.61 2min h MET 377 CO 0.00 0.39 -0.09 0.78 -0.00 0.00 0.00 176.91 177.99 2min h GLY 378 N 0.97 0.95 1.17 -3.00 0.00 -1.22 -0.18 103.07 101.76 2min h GLY 378 Ca 0.01 -0.77 -0.14 0.00 0.00 0.00 0.00 47.33 46.43 2min h GLY 378 CO 0.04 0.70 -0.30 -2.00 0.00 0.00 0.00 176.54 174.99 2min h LEU 379 N 0.72 0.97 0.07 3.11 5.85 -0.69 -1.01 115.31 124.34 2min h LEU 379 Ca 0.12 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.45 2min h LEU 379 Cb 0.63 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2min h LEU 379 CO 0.04 1.19 -0.11 0.58 -0.34 0.00 0.00 178.44 179.79 2min h VAL 380 N 0.78 0.73 -0.20 1.05 2.07 -0.80 0.49 116.25 120.38 2min h VAL 380 Ca 0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 2min h VAL 380 Cb 0.87 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2min h VAL 380 CO 0.08 0.00 -0.07 0.50 0.02 0.00 0.00 177.57 178.10 2min h LYS 381 N -0.23 -0.03 -0.63 1.57 1.63 -0.81 -1.13 116.57 116.94 2min h LYS 381 Ca 0.02 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.75 2min h LYS 381 Cb 0.25 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 2min h LYS 381 CO -0.06 -0.02 0.10 0.35 -3.45 0.00 0.00 179.45 176.37 2min h PHE 382 N -0.03 1.11 -0.90 1.91 3.57 -1.07 -0.97 116.94 120.56 2min h PHE 382 Ca 0.10 -0.15 0.06 0.00 3.53 0.00 0.00 57.97 61.50 2min h PHE 382 Cb 0.18 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 2min h PHE 382 CO -0.23 0.94 0.57 -0.07 -2.23 0.00 0.00 178.31 177.29 2min h LEU 383 N 0.95 0.91 -0.49 0.59 3.38 -0.27 -0.94 115.31 119.45 2min h LEU 383 Ca 0.19 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2min h LEU 383 Cb 0.43 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2min h LEU 383 CO 0.01 0.59 0.07 -0.07 0.09 0.00 0.00 178.44 179.14 2min h LEU 384 N 1.05 0.79 -2.11 1.67 3.38 -0.54 -0.24 115.31 119.31 2min h LEU 384 Ca 0.38 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2min h LEU 384 Cb 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2min h LEU 384 CO -0.16 0.85 0.04 -0.33 0.09 0.00 0.00 178.44 178.93 2min h GLU 385 N 0.69 0.00 -0.00 1.13 5.08 -0.28 -0.62 114.58 120.58 2min h GLU 385 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2min h GLU 385 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2min h GLU 385 CO 0.01 0.00 -0.20 1.28 -1.00 0.00 0.00 179.01 179.11 2min n LEU 386 N -4.35 0.46 0.00 1.33 4.77 -0.45 -4.93 117.00 113.83 2min n LEU 386 Ca -0.02 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2min n LEU 386 Cb 0.14 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2min n LEU 386 CO 0.33 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2min n GLY 387 N 1.38 0.42 3.96 -0.72 0.00 -0.24 -4.37 105.19 105.62 2min n GLY 387 Ca 0.11 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 2min n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2min s GLU 389 N -4.24 2.57 -1.13 0.00 2.02 0.39 -4.07 118.70 114.23 2min s GLU 389 Ca 0.41 -1.25 -0.18 0.00 0.02 0.00 0.00 54.97 53.97 2min s GLU 389 Cb -0.09 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.62 2min s GLU 389 CO 0.34 -0.71 2.07 -2.30 0.02 0.00 0.00 175.26 174.68 2min n PRO 390 N 4.79 2.21 -0.36 0.39 -0.02 -1.26 -1.36 135.00 139.38 2min n PRO 390 Ca -0.12 -2.26 -0.00 0.00 -2.02 0.00 0.00 63.50 59.09 2min n PRO 390 Cb 0.44 -3.13 0.13 0.00 -0.02 0.00 0.00 33.50 30.92 2min n PRO 390 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2min h VAL 391 N 4.29 1.18 -3.34 -1.45 2.07 -1.44 -3.40 116.25 114.16 2min h VAL 391 Ca 0.49 -0.43 -0.57 0.00 0.82 0.00 0.00 66.70 67.01 2min h VAL 391 Cb 0.66 -0.18 -0.37 0.00 -1.52 0.00 0.00 31.29 29.88 2min h VAL 391 CO 1.90 0.23 -0.80 -1.00 0.02 0.00 0.00 177.57 177.92 2min s HIS 392 N -6.09 1.92 -0.25 1.57 3.76 -1.05 -1.66 115.29 113.49 2min s HIS 392 Ca -0.13 -1.22 0.01 0.00 -0.15 0.00 0.00 55.06 53.57 2min s HIS 392 Cb 0.19 -1.42 0.04 0.00 1.11 0.00 0.00 32.58 32.50 2min s HIS 392 CO 0.81 -0.65 -0.09 0.42 -0.85 0.00 0.00 174.74 174.38 2min s ILE 393 N 1.56 2.49 -0.06 0.60 1.01 -0.42 -0.65 121.20 125.73 2min s ILE 393 Ca 0.01 -1.30 0.05 0.00 0.00 0.00 0.00 60.65 59.41 2min s ILE 393 Cb -0.15 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 2min s ILE 393 CO -0.08 0.12 -0.23 -0.22 0.00 0.00 0.00 174.94 174.53 2min s LEU 394 N 1.22 2.03 -0.30 2.97 0.20 -0.38 0.13 118.68 124.55 2min s LEU 394 Ca -0.03 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.28 2min s LEU 394 Cb -0.18 -1.27 0.10 0.00 -0.43 0.00 0.00 46.19 44.41 2min s LEU 394 CO -0.06 0.21 0.13 0.00 -0.29 0.00 0.00 176.35 176.34 2min h HIS 396 N 8.17 0.83 -0.46 0.00 2.76 -1.77 -1.72 115.15 122.96 2min h HIS 396 Ca -0.16 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 57.93 2min h HIS 396 Cb 1.01 -0.26 -0.07 0.00 1.55 0.00 0.00 27.41 29.64 2min h HIS 396 CO 0.32 0.39 0.14 0.27 -1.30 0.00 0.00 177.93 177.76 2min n ASN 397 N -4.72 3.87 -4.88 3.26 6.94 -1.26 -2.06 115.26 116.41 2min n ASN 397 Ca 0.11 -2.75 -0.30 0.00 -0.02 0.00 0.00 54.58 51.63 2min n ASN 397 Cb 0.21 -0.65 0.01 0.00 -2.36 0.00 0.00 39.78 36.98 2min n ASN 397 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2min s GLY 398 N -0.49 1.61 0.45 4.83 0.00 -0.66 -4.85 107.32 108.21 2min s GLY 398 Ca 0.36 -0.24 0.05 0.00 0.00 0.00 0.00 44.72 44.88 2min s GLY 398 CO 0.09 -0.00 0.07 0.54 0.00 0.00 0.00 173.10 173.79 2min s ASN 399 N -4.17 4.11 0.18 1.64 2.20 -1.26 -4.45 114.94 113.20 2min s ASN 399 Ca 0.53 -1.40 -0.13 0.00 -0.94 0.00 0.00 52.86 50.92 2min s ASN 399 Cb -0.11 -0.06 0.16 0.00 -2.00 0.00 0.00 41.25 39.24 2min s ASN 399 CO 0.51 -0.64 1.76 0.11 -2.94 0.00 0.00 177.10 175.90 2min h LYS 400 N 1.50 0.40 -0.35 3.55 1.57 -1.99 -1.55 116.57 119.69 2min h LYS 400 Ca -0.43 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.21 2min h LYS 400 Cb 1.27 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2min h LYS 400 CO 0.75 0.26 -0.26 0.00 -0.57 0.00 0.00 179.45 179.64 2min h ARG 401 N 0.41 0.72 -0.15 3.15 3.08 -1.99 -2.02 114.38 117.57 2min h ARG 401 Ca 0.23 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2min h ARG 401 Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2min h ARG 401 CO -0.21 0.90 0.08 2.35 -1.07 0.00 0.00 179.97 182.02 2min h TRP 402 N 0.62 0.22 -0.69 3.04 7.01 -1.93 -1.67 115.95 122.55 2min h TRP 402 Ca 0.08 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.16 2min h TRP 402 Cb 0.76 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.68 2min h TRP 402 CO 0.04 0.25 0.33 -0.22 -2.79 0.00 0.00 178.44 176.04 2min h LYS 403 N 0.13 0.55 -0.31 2.65 3.64 -0.97 -1.11 116.57 121.14 2min h LYS 403 Ca 0.05 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2min h LYS 403 Cb 0.11 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2min h LYS 403 CO -0.01 0.36 0.09 0.87 -2.27 0.00 0.00 179.45 178.49 2min h LYS 404 N 0.56 0.20 -0.24 1.90 1.79 -1.08 -0.20 116.57 119.51 2min h LYS 404 Ca 0.34 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.83 2min h LYS 404 Cb 0.37 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 2min h LYS 404 CO -0.27 0.14 0.06 0.00 -1.08 0.00 0.00 179.45 178.29 2min h ALA 405 N 1.21 0.26 -0.49 3.86 0.00 -0.29 -1.12 119.26 122.69 2min h ALA 405 Ca 0.14 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2min h ALA 405 Cb 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2min h ALA 405 CO -0.16 -0.36 -0.08 0.28 0.00 0.00 0.00 179.25 178.92 2min h VAL 406 N 0.16 1.27 -0.27 0.00 2.07 -1.09 -0.66 116.25 117.72 2min h VAL 406 Ca 0.11 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 2min h VAL 406 Cb 0.10 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2min h VAL 406 CO -0.14 0.42 0.17 0.44 0.02 0.00 0.00 177.57 178.48 2min h ASP 407 N 0.77 0.32 -0.16 0.57 3.32 -0.65 0.12 116.42 120.71 2min h ASP 407 Ca 0.13 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.97 2min h ASP 407 Cb 0.63 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2min h ASP 407 CO 0.04 0.25 -0.65 0.00 -1.72 0.00 0.00 179.24 177.15 2min h ALA 408 N 1.81 0.44 -0.82 3.45 0.00 -0.80 -0.39 119.26 122.95 2min h ALA 408 Ca 0.10 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2min h ALA 408 Cb -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2min h ALA 408 CO -0.02 0.69 0.50 0.82 0.00 0.00 0.00 179.25 181.24 2min h ILE 409 N 0.57 1.23 -0.50 0.00 2.04 0.35 -1.98 117.51 119.23 2min h ILE 409 Ca -0.02 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 2min h ILE 409 Cb 1.26 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2min h ILE 409 CO 0.14 0.24 -0.14 -0.07 0.00 0.00 0.00 178.15 178.31 2min h LEU 410 N 1.12 0.95 -1.30 1.44 3.38 -0.72 -3.05 115.31 117.14 2min h LEU 410 Ca 0.29 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2min h LEU 410 Cb -0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2min h LEU 410 CO -0.06 1.09 -0.24 0.00 0.09 0.00 0.00 178.44 179.32 2min h ALA 411 N 0.99 1.42 0.00 1.53 0.00 -0.58 -2.65 119.26 119.97 2min h ALA 411 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2min h ALA 411 Cb 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2min h ALA 411 CO 0.05 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.71 2min n ALA 412 N -2.48 2.41 -3.20 0.00 0.00 -0.79 -4.75 120.51 111.70 2min n ALA 412 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 2min n ALA 412 Cb 0.34 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.65 2min n ALA 412 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2min s SER 413 N -0.44 -0.12 0.63 0.00 0.15 -1.00 -5.01 113.70 107.92 2min s SER 413 Ca 0.00 0.25 0.38 0.00 0.70 0.00 0.00 55.95 57.29 2min s SER 413 Cb 0.00 0.23 2.16 0.00 -1.71 0.00 0.00 66.02 66.70 2min s SER 413 CO 0.00 -0.07 2.32 1.55 1.20 0.00 0.00 173.24 178.24 2min h PRO 414 N 6.30 0.00 -0.00 5.44 0.13 -1.85 -2.31 132.00 139.71 2min h PRO 414 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2min h PRO 414 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2min h PRO 414 CO 0.43 0.00 -0.12 0.66 -0.23 0.00 0.00 178.00 178.74 2min n TYR 415 N -3.42 0.00 1.11 1.56 4.01 -1.26 -3.27 117.16 115.89 2min n TYR 415 Ca -0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.84 2min n TYR 415 Cb 0.08 -0.21 0.29 0.00 -0.31 0.00 0.00 39.34 39.19 2min n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2min n GLY 416 N 1.31 0.67 0.31 2.72 0.00 -0.87 -4.28 105.19 105.05 2min n GLY 416 Ca 0.13 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.64 2min n GLY 416 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2min h LYS 417 N 3.61 0.42 -0.41 1.61 1.57 -1.68 -2.59 116.57 119.11 2min h LYS 417 Ca 0.00 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2min h LYS 417 Cb 0.77 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 2min h LYS 417 CO 0.00 0.28 0.04 0.09 -0.57 0.00 0.00 179.45 179.29 2min n ASN 418 N -4.48 4.29 -4.75 0.86 3.02 -1.26 -5.01 115.26 107.93 2min n ASN 418 Ca 0.04 -3.11 -0.36 0.00 -0.03 0.00 0.00 54.58 51.12 2min n ASN 418 Cb 0.14 -0.62 -0.08 0.00 -0.61 0.00 0.00 39.78 38.61 2min n ASN 418 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2min s ALA 419 N -2.89 3.52 -0.02 5.41 0.00 -0.98 -4.61 121.76 122.19 2min s ALA 419 Ca 0.47 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.74 2min s ALA 419 Cb 0.38 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 2min s ALA 419 CO 0.10 0.54 -0.15 0.99 0.00 0.00 0.00 175.76 177.24 2min s THR 420 N -0.76 1.25 -0.14 0.00 2.01 -0.66 -5.01 115.64 112.33 2min s THR 420 Ca 0.12 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 2min s THR 420 Cb -0.12 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2min s THR 420 CO 0.03 0.36 0.39 -0.69 -0.69 0.00 0.00 174.62 174.01 2min s VAL 421 N -0.21 5.24 -0.14 3.82 1.01 -1.26 -1.30 120.40 127.57 2min s VAL 421 Ca 0.03 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.79 2min s VAL 421 Cb -0.08 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2min s VAL 421 CO 0.00 0.36 -0.22 -0.31 0.00 0.00 0.00 175.10 174.93 2min s TYR 422 N 0.53 2.67 0.09 5.22 1.51 0.12 -4.97 117.35 122.52 2min s TYR 422 Ca 0.21 -1.34 0.08 0.00 -1.01 0.00 0.00 57.07 55.01 2min s TYR 422 Cb -0.14 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 2min s TYR 422 CO 0.07 -0.61 -0.16 0.96 -1.11 0.00 0.00 175.55 174.71 2min s ILE 423 N 0.82 2.99 0.00 2.71 -4.36 -1.26 -0.83 121.20 121.27 2min s ILE 423 Ca -0.07 -1.33 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 2min s ILE 423 Cb -0.15 -2.35 0.00 0.00 1.25 0.00 0.00 42.46 41.21 2min s ILE 423 CO -0.02 0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.95 2min n GLY 424 N 1.01 1.38 3.94 6.27 0.00 -0.87 -4.94 105.19 111.97 2min n GLY 424 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2min n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2min s LYS 425 N -0.07 3.49 0.00 1.61 -0.14 -1.26 -4.95 119.74 118.42 2min s LYS 425 Ca 0.00 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.16 2min s LYS 425 Cb 0.00 -2.83 0.00 0.00 -1.68 0.00 0.00 37.83 33.32 2min s LYS 425 CO 0.00 0.38 0.00 -0.40 -0.76 0.00 0.00 175.35 174.57 2min n ASP 426 N -0.97 1.41 0.26 2.83 5.68 -1.26 -3.80 116.55 120.70 2min n ASP 426 Ca -0.06 -0.97 0.15 0.00 -0.50 0.00 0.00 54.79 53.41 2min n ASP 426 Cb 0.55 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.16 2min n ASP 426 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2min h LEU 427 N 0.00 0.00 -0.31 -2.12 3.38 -1.37 -0.04 115.31 114.86 2min h LEU 427 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2min h LEU 427 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2min h LEU 427 CO 0.00 0.08 -0.85 -0.25 0.09 0.00 0.00 178.44 177.51 2min h TRP 428 N 0.00 0.36 -0.03 1.13 2.91 -1.72 -0.31 115.95 118.29 2min h TRP 428 Ca -0.00 -0.19 -0.00 0.00 1.13 0.00 0.00 58.89 59.83 2min h TRP 428 Cb 0.56 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.16 2min h TRP 428 CO 0.00 0.98 0.01 0.45 -1.03 0.00 0.00 178.44 178.86 2min h HIS 429 N 0.14 0.05 -0.79 2.65 3.86 -1.36 -3.03 115.15 116.67 2min h HIS 429 Ca -0.04 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2min h HIS 429 Cb 1.46 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.88 2min h HIS 429 CO 0.03 0.19 0.47 1.25 0.86 0.00 0.00 177.93 180.74 2min h LEU 430 N -0.11 0.95 -0.68 2.43 5.85 -1.01 -2.24 115.31 120.49 2min h LEU 430 Ca 0.01 -0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.82 2min h LEU 430 Cb 0.17 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 40.86 2min h LEU 430 CO -0.00 0.73 0.14 -0.09 -0.34 0.00 0.00 178.44 178.88 2min h ARG 431 N 1.09 0.24 -0.32 1.25 2.43 -0.97 -0.65 114.38 117.45 2min h ARG 431 Ca 0.28 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2min h ARG 431 Cb -0.04 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2min h ARG 431 CO -0.05 0.16 0.20 0.77 -1.51 0.00 0.00 179.97 179.53 2min h SER 432 N 0.25 0.38 -0.68 -3.80 0.02 -1.29 -2.91 113.55 105.52 2min h SER 432 Ca 0.37 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 2min h SER 432 Cb 0.61 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2min h SER 432 CO -0.48 0.32 0.28 -0.07 -1.14 0.00 0.00 176.83 175.73 2min h LEU 433 N 0.42 0.95 -0.14 5.07 3.38 -0.99 -0.06 115.31 123.92 2min h LEU 433 Ca 0.12 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2min h LEU 433 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2min h LEU 433 CO -0.02 0.84 0.00 1.33 0.09 0.00 0.00 178.44 180.68 2min n VAL 434 N -4.30 0.67 -0.08 1.22 0.24 -0.38 -1.36 118.33 114.34 2min n VAL 434 Ca 0.06 0.12 -0.22 0.00 -2.04 0.00 0.00 64.34 62.27 2min n VAL 434 Cb 0.18 -0.86 -0.12 0.00 -1.47 0.00 0.00 33.84 31.57 2min n VAL 434 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 2min h PHE 435 N 0.00 0.08 0.00 6.34 0.04 -0.91 -3.28 116.94 119.21 2min h PHE 435 Ca 0.00 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 2min h PHE 435 Cb 0.39 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 2min h PHE 435 CO 0.00 1.51 -0.04 1.79 -0.60 0.00 0.00 178.31 180.98 2min h THR 436 N -0.84 0.06 -1.21 -1.55 1.35 -1.04 -3.32 112.91 106.36 2min h THR 436 Ca -0.34 -1.02 -0.42 0.00 -0.55 0.00 0.00 66.41 64.07 2min h THR 436 Cb 1.41 1.97 -0.29 0.00 -1.73 0.00 0.00 68.15 69.50 2min h THR 436 CO -0.15 0.03 -0.87 -0.67 -0.25 0.00 0.00 175.52 173.61 2min n ASP 437 N -3.11 -1.01 -4.65 5.36 2.03 -0.47 -5.08 116.55 109.61 2min n ASP 437 Ca 0.03 -2.96 -0.52 0.00 0.52 0.00 0.00 54.79 51.87 2min n ASP 437 Cb 0.52 0.34 -0.06 0.00 -0.72 0.00 0.00 41.12 41.20 2min n ASP 437 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2min n LYS 438 N 1.43 1.68 -1.74 -0.67 4.81 -1.24 -4.50 118.16 117.93 2min n LYS 438 Ca 0.16 0.60 -0.20 0.00 -0.87 0.00 0.00 58.31 58.00 2min n LYS 438 Cb 0.58 -2.46 0.12 0.00 0.02 0.00 0.00 35.03 33.29 2min n LYS 438 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2min n PRO 439 N 6.56 -0.47 0.05 1.64 -0.04 -1.26 -5.04 135.00 136.43 2min n PRO 439 Ca 0.27 -1.78 -0.21 0.00 -0.04 0.00 0.00 63.50 61.74 2min n PRO 439 Cb 0.23 -0.77 -0.14 0.00 -0.04 0.00 0.00 33.50 32.78 2min n PRO 439 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2min h ASP 440 N -0.89 0.49 -5.18 3.54 3.32 -1.11 -3.46 116.42 113.13 2min h ASP 440 Ca -0.29 -0.83 -0.10 0.00 0.02 0.00 0.00 57.03 55.84 2min h ASP 440 Cb 0.90 -0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.15 2min h ASP 440 CO 0.25 1.72 -0.45 -0.36 -1.72 0.00 0.00 179.24 178.67 2min s PHE 441 N -2.58 0.25 0.01 4.55 0.40 -1.12 -4.01 117.98 115.48 2min s PHE 441 Ca -0.16 -0.71 0.02 0.00 -0.60 0.00 0.00 56.93 55.49 2min s PHE 441 Cb 0.06 -0.15 -0.04 0.00 0.51 0.00 0.00 43.02 43.41 2min s PHE 441 CO 0.83 -0.50 -0.02 -1.64 0.70 0.00 0.00 175.22 174.59 2min s MET 442 N -3.84 2.68 -0.22 0.44 -1.94 -0.37 -1.63 119.30 114.41 2min s MET 442 Ca 0.05 -0.67 0.00 0.00 -1.71 0.00 0.00 55.69 53.36 2min s MET 442 Cb 0.06 -2.60 0.03 0.00 2.01 0.00 0.00 34.83 34.32 2min s MET 442 CO -0.11 0.61 -0.13 0.42 -0.01 0.00 0.00 175.02 175.80 2min s ILE 443 N -1.08 2.41 0.00 2.53 1.01 0.02 -0.65 121.20 125.44 2min s ILE 443 Ca 0.19 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2min s ILE 443 Cb -0.11 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2min s ILE 443 CO 0.10 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.95 2min n GLY 444 N 4.60 1.65 3.39 6.18 0.00 -0.50 -2.83 105.19 117.69 2min n GLY 444 Ca -0.18 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 2min n GLY 444 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2min n ASN 445 N -0.34 1.16 0.30 1.61 0.23 -1.26 -0.77 115.26 116.19 2min n ASN 445 Ca 0.00 -1.98 0.18 0.00 -0.53 0.00 0.00 54.58 52.24 2min n ASN 445 Cb 0.00 -0.57 0.94 0.00 -2.08 0.00 0.00 39.78 38.07 2min n ASN 445 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2min h SER 446 N -0.54 0.00 0.16 0.53 0.02 -1.65 -1.90 113.55 110.18 2min h SER 446 Ca -0.29 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2min h SER 446 Cb 1.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2min h SER 446 CO 0.31 0.03 -0.13 1.88 -1.14 0.00 0.00 176.83 177.79 2min h TYR 447 N 0.00 0.00 0.00 3.45 0.05 -1.95 -0.31 116.97 118.22 2min h TYR 447 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2min h TYR 447 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2min h TYR 447 CO 0.00 0.13 0.09 0.78 -1.05 0.00 0.00 178.16 178.11 2min h GLY 448 N 0.46 0.00 1.96 3.88 0.00 -1.72 -2.15 103.07 105.50 2min h GLY 448 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2min h GLY 448 CO 0.02 0.00 -0.24 0.07 0.00 0.00 0.00 176.54 176.39 2min h LYS 449 N 0.00 0.05 0.00 4.80 2.10 -1.23 -2.30 116.57 120.00 2min h LYS 449 Ca 0.00 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.51 2min h LYS 449 Cb 0.19 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.49 2min h LYS 449 CO 0.00 0.29 -0.61 0.74 -2.00 0.00 0.00 179.45 177.87 2min h PHE 450 N 0.05 0.00 -0.29 0.07 0.04 -1.59 -1.65 116.94 113.56 2min h PHE 450 Ca 0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2min h PHE 450 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2min h PHE 450 CO 0.00 0.61 -0.11 0.82 -0.60 0.00 0.00 178.31 179.03 2min h ILE 451 N 0.00 1.29 -0.95 -0.55 2.04 -1.58 -1.88 117.51 115.88 2min h ILE 451 Ca -0.01 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.71 2min h ILE 451 Cb 1.13 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 2min h ILE 451 CO 0.08 0.38 0.62 -0.61 0.00 0.00 0.00 178.15 178.62 2min h GLN 452 N 0.34 1.18 -0.45 2.37 4.15 -1.24 -1.25 115.11 120.22 2min h GLN 452 Ca 0.07 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2min h GLN 452 Cb 0.61 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2min h GLN 452 CO 0.04 0.78 0.25 -0.09 -1.93 0.00 0.00 178.83 177.88 2min h ARG 453 N 1.21 0.62 -0.50 1.69 1.12 -1.07 -1.95 114.38 115.51 2min h ARG 453 Ca 0.37 -0.07 -0.04 0.00 -1.11 0.00 0.00 59.98 59.13 2min h ARG 453 Cb -0.02 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 29.80 2min h ARG 453 CO -0.11 0.49 0.17 -0.44 -3.11 0.00 0.00 179.97 176.97 2min h ASP 454 N 0.59 0.73 -0.59 -3.80 3.32 -0.76 -2.20 116.42 113.72 2min h ASP 454 Ca 0.16 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 2min h ASP 454 Cb 0.04 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2min h ASP 454 CO -0.03 0.73 0.18 0.71 -1.72 0.00 0.00 179.24 179.12 2min h THR 455 N 0.68 1.24 -0.61 0.35 1.35 -1.04 -2.56 112.91 112.33 2min h THR 455 Ca 0.16 -0.83 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 2min h THR 455 Cb 0.26 0.67 -0.03 0.00 -1.73 0.00 0.00 68.15 67.32 2min h THR 455 CO -0.01 0.31 0.34 0.25 -0.25 0.00 0.00 175.52 176.17 2min h LEU 456 N 0.83 0.73 -1.63 3.87 5.85 -1.23 -1.85 115.31 121.88 2min h LEU 456 Ca 0.19 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2min h LEU 456 Cb 0.29 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2min h LEU 456 CO -0.00 0.58 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.92 2min h HIS 457 N 0.84 0.21 -0.35 1.25 2.76 -0.98 -0.78 115.15 118.10 2min h HIS 457 Ca 0.22 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.25 2min h HIS 457 Cb 0.01 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 2min h HIS 457 CO 0.00 0.24 -0.31 -0.22 -1.30 0.00 0.00 177.93 176.34 2min h LYS 458 N 0.21 0.75 0.00 5.26 3.64 -1.22 -3.48 116.57 121.72 2min h LYS 458 Ca 0.05 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2min h LYS 458 Cb 0.17 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2min h LYS 458 CO 0.00 0.96 0.00 0.41 -2.27 0.00 0.00 179.45 178.55 2min n GLY 459 N -0.09 2.97 0.33 5.01 0.00 -0.30 -4.93 105.19 108.19 2min n GLY 459 Ca -0.01 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.39 2min n GLY 459 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2min h LYS 460 N 0.00 0.60 0.00 1.61 1.63 -1.85 0.66 116.57 119.22 2min h LYS 460 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2min h LYS 460 Cb 0.00 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 2min h LYS 460 CO 0.00 0.40 0.00 0.93 -3.45 0.00 0.00 179.45 177.33 2min h GLU 461 N 0.62 0.00 -0.02 1.90 3.07 -1.93 -2.36 114.58 115.87 2min h GLU 461 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 2min h GLU 461 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2min h GLU 461 CO -0.06 0.00 -0.23 1.19 -1.40 0.00 0.00 179.01 178.51 2min n PHE 462 N -3.02 0.00 -2.06 4.33 3.72 0.18 -4.99 117.46 115.62 2min n PHE 462 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2min n PHE 462 Cb 0.18 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 2min n PHE 462 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2min s GLU 463 N -1.83 4.28 -0.33 -1.08 2.12 -0.89 -4.59 118.70 116.37 2min s GLU 463 Ca 0.17 2.23 -0.06 0.00 0.36 0.00 0.00 54.97 57.68 2min s GLU 463 Cb 0.14 -3.16 0.04 0.00 0.26 0.00 0.00 34.13 31.42 2min s GLU 463 CO 0.36 -0.44 0.09 0.08 -0.54 0.00 0.00 175.26 174.81 2min s VAL 464 N 0.50 3.63 0.36 3.70 1.01 -1.26 -4.96 120.40 123.38 2min s VAL 464 Ca 0.62 -1.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 2min s VAL 464 Cb -0.40 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 2min s VAL 464 CO 0.37 -0.18 1.35 -2.84 0.00 0.00 0.00 175.10 173.81 2min s PRO 465 N 1.37 4.21 -0.02 2.72 0.02 -1.26 -4.46 135.00 137.59 2min s PRO 465 Ca -0.02 2.30 -0.18 0.00 0.02 0.00 0.00 61.00 63.12 2min s PRO 465 Cb -0.20 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 2min s PRO 465 CO 0.02 -0.34 0.50 -1.17 -0.33 0.00 0.00 177.00 175.68 2min s LEU 466 N -2.00 4.42 -0.24 -5.54 2.96 -1.26 -1.23 118.68 115.79 2min s LEU 466 Ca 0.51 1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 55.42 2min s LEU 466 Cb -0.41 -2.76 -0.00 0.00 0.50 0.00 0.00 46.19 43.52 2min s LEU 466 CO 0.55 0.18 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.10 2min s ILE 467 N -0.43 3.40 -0.57 6.68 1.01 0.18 -4.93 121.20 126.54 2min s ILE 467 Ca 0.27 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 60.08 2min s ILE 467 Cb -0.17 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 39.73 2min s ILE 467 CO 0.15 0.34 1.01 -0.13 0.00 0.00 0.00 174.94 176.31 2min s ARG 468 N 1.46 3.34 -0.07 2.79 0.52 -1.26 -1.40 118.95 124.34 2min s ARG 468 Ca 0.05 -0.20 -0.03 0.00 -0.52 0.00 0.00 55.73 55.02 2min s ARG 468 Cb -0.15 -4.06 0.04 0.00 0.52 0.00 0.00 34.95 31.30 2min s ARG 468 CO -0.03 -1.58 0.10 0.42 0.02 0.00 0.00 175.30 174.24 2min s ILE 469 N 4.24 -0.17 -5.00 1.52 1.01 0.05 -4.93 121.20 117.92 2min s ILE 469 Ca 0.32 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.31 2min s ILE 469 Cb -0.12 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.10 2min s ILE 469 CO 0.20 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2min n GLY 470 N 5.31 0.71 2.96 6.18 0.00 -1.26 -3.78 105.19 115.30 2min n GLY 470 Ca -0.04 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 2min n GLY 470 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2min s PHE 471 N -3.17 -0.15 0.24 1.61 5.36 -1.26 -4.27 117.98 116.35 2min s PHE 471 Ca 0.00 0.42 -0.17 0.00 -0.96 0.00 0.00 56.93 56.23 2min s PHE 471 Cb 0.00 -0.03 -0.08 0.00 -0.34 0.00 0.00 43.02 42.57 2min s PHE 471 CO 0.00 -0.12 0.69 -1.25 -1.46 0.00 0.00 175.22 173.07 2min s PRO 472 N 0.70 4.10 -0.33 10.12 0.04 -1.26 -4.82 135.00 143.54 2min s PRO 472 Ca -0.05 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 61.63 2min s PRO 472 Cb -0.07 -2.73 0.04 0.00 0.04 0.00 0.00 34.50 31.78 2min s PRO 472 CO -0.03 0.33 0.09 0.42 0.04 0.00 0.00 177.00 177.85 2min s ILE 473 N -1.68 3.74 -0.16 0.56 -1.09 -1.26 -1.59 121.20 119.72 2min s ILE 473 Ca 0.46 -1.11 0.06 0.00 -2.23 0.00 0.00 60.65 57.84 2min s ILE 473 Cb -0.14 -3.10 -0.08 0.00 -1.58 0.00 0.00 42.46 37.56 2min s ILE 473 CO 0.20 -0.15 0.21 0.49 -1.23 0.00 0.00 174.94 174.46 2min n PHE 474 N 4.80 0.00 -0.15 3.97 3.72 -1.26 -4.54 117.46 124.00 2min n PHE 474 Ca -0.13 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.34 2min n PHE 474 Cb 0.45 -0.07 0.18 0.00 -0.94 0.00 0.00 39.48 39.10 2min n PHE 474 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2min n ASP 475 N -1.42 3.05 -4.25 4.37 5.75 -1.26 -4.90 116.55 117.90 2min n ASP 475 Ca 0.00 -1.97 -0.20 0.00 -0.01 0.00 0.00 54.79 52.62 2min n ASP 475 Cb 0.13 -0.26 -0.12 0.00 -1.03 0.00 0.00 41.12 39.85 2min n ASP 475 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2min s ARG 476 N -1.01 1.03 -0.13 0.11 1.81 -1.26 -5.15 118.95 114.35 2min s ARG 476 Ca 0.27 -1.19 -0.07 0.00 -1.72 0.00 0.00 55.73 53.03 2min s ARG 476 Cb 0.14 -1.03 -0.04 0.00 -0.45 0.00 0.00 34.95 33.57 2min s ARG 476 CO 0.19 0.22 0.13 -1.01 -0.68 0.00 0.00 175.30 174.15 2min s HIS 477 N -1.76 3.55 -0.13 -0.53 3.76 -1.26 -4.65 115.29 114.27 2min s HIS 477 Ca 0.07 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 2min s HIS 477 Cb -0.07 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.66 2min s HIS 477 CO 0.04 0.66 0.00 0.72 -0.85 0.00 0.00 174.74 175.31 2min n HIS 478 N 2.21 0.00 0.47 1.40 8.25 -1.26 -4.86 115.22 121.43 2min n HIS 478 Ca -0.19 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.38 2min n HIS 478 Cb 0.55 -1.49 0.46 0.00 1.12 0.00 0.00 29.99 30.62 2min n HIS 478 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2min n LEU 479 N -0.13 0.57 0.14 2.41 4.77 -1.26 -1.26 117.00 122.24 2min n LEU 479 Ca -0.01 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 2min n LEU 479 Cb 0.36 -0.52 0.53 0.00 -2.33 0.00 0.00 43.42 41.45 2min n LEU 479 CO 0.02 -0.44 0.84 0.00 -1.33 0.00 0.00 177.39 176.48 2min n HIS 480 N -2.11 0.77 1.02 -1.77 1.44 -1.26 -2.03 115.22 111.27 2min n HIS 480 Ca 0.03 0.34 0.13 0.00 -2.01 0.00 0.00 57.72 56.22 2min n HIS 480 Cb 0.26 -1.05 0.61 0.00 0.12 0.00 0.00 29.99 29.93 2min n HIS 480 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2min n ARG 481 N -2.24 0.07 -0.86 -1.40 1.74 -0.39 -0.98 116.66 112.60 2min n ARG 481 Ca 0.01 0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 2min n ARG 481 Cb 0.14 -1.50 0.25 0.00 -1.02 0.00 0.00 32.46 30.33 2min n ARG 481 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2min s SER 482 N -2.93 0.57 -0.03 0.55 0.01 -0.86 -3.37 113.70 107.65 2min s SER 482 Ca 0.16 0.82 0.04 0.00 1.31 0.00 0.00 55.95 58.28 2min s SER 482 Cb 0.18 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.22 2min s SER 482 CO 0.49 -4.36 -0.15 -0.89 0.41 0.00 0.00 173.24 168.74 2min s THR 483 N -2.77 1.25 0.00 1.44 2.01 -1.26 -1.79 115.64 114.52 2min s THR 483 Ca 0.70 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2min s THR 483 Cb -0.13 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.32 2min s THR 483 CO 0.57 0.36 0.01 0.35 -0.69 0.00 0.00 174.62 175.23 2min n THR 484 N 2.94 0.00 -3.35 -0.82 -2.24 -1.26 -4.38 114.28 105.17 2min n THR 484 Ca -0.16 -0.42 -0.23 0.00 -2.27 0.00 0.00 64.05 60.96 2min n THR 484 Cb 0.54 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.76 2min n THR 484 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2min s LEU 485 N -1.64 3.98 0.00 3.22 1.43 -1.26 -4.07 118.68 120.33 2min s LEU 485 Ca 0.00 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 2min s LEU 485 Cb 0.00 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.96 2min s LEU 485 CO 0.00 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.85 2min n GLY 486 N -1.81 -1.70 0.29 -3.19 0.00 0.14 -0.81 105.19 98.11 2min n GLY 486 Ca -0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 44.72 2min n GLY 486 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2min h TYR 487 N -0.46 0.84 -0.09 1.61 0.05 -1.90 -1.78 116.97 115.25 2min h TYR 487 Ca 0.01 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.71 2min h TYR 487 Cb 0.45 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 2min h TYR 487 CO 0.00 0.77 -0.11 1.49 -1.05 0.00 0.00 178.16 179.26 2min h GLU 488 N 0.75 -0.15 -0.15 4.88 4.81 -1.95 0.55 114.58 123.32 2min h GLU 488 Ca 0.15 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2min h GLU 488 Cb 0.43 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2min h GLU 488 CO 0.02 -0.10 -0.40 0.78 -0.73 0.00 0.00 179.01 178.58 2min h GLY 489 N -0.15 0.37 1.04 1.92 0.00 -0.85 -1.72 103.07 103.69 2min h GLY 489 Ca 0.07 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 2min h GLY 489 CO -0.18 0.32 0.30 0.00 0.00 0.00 0.00 176.54 176.98 2min h ALA 490 N 1.29 0.99 -0.62 3.60 0.00 -0.85 -0.67 119.26 123.01 2min h ALA 490 Ca 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2min h ALA 490 Cb 0.83 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2min h ALA 490 CO 0.07 0.62 0.07 0.52 0.00 0.00 0.00 179.25 180.53 2min h MET 491 N 1.11 1.05 -0.39 0.00 2.07 -0.50 -1.08 114.93 117.18 2min h MET 491 Ca 0.25 -0.30 -0.07 0.00 -2.07 0.00 0.00 59.70 57.51 2min h MET 491 Cb 0.22 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 29.82 2min h MET 491 CO -0.02 0.99 -0.04 1.96 1.07 0.00 0.00 176.91 180.87 2min h GLN 492 N 0.96 0.72 0.17 1.72 4.20 -1.00 -1.97 115.11 119.91 2min h GLN 492 Ca 0.19 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2min h GLN 492 Cb 0.47 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2min h GLN 492 CO 0.02 0.83 -0.08 0.82 -0.67 0.00 0.00 178.83 179.74 2min h ILE 493 N 0.53 0.87 -0.39 2.54 1.08 -0.95 -1.44 117.51 119.76 2min h ILE 493 Ca 0.11 -0.20 0.05 0.00 -0.39 0.00 0.00 64.86 64.43 2min h ILE 493 Cb 0.53 1.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 2min h ILE 493 CO 0.03 0.05 0.11 0.25 -0.69 0.00 0.00 178.15 177.89 2min h LEU 494 N -0.33 0.08 -0.45 1.44 6.46 -1.22 0.48 115.31 121.76 2min h LEU 494 Ca -0.02 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2min h LEU 494 Cb 0.26 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2min h LEU 494 CO 0.04 0.08 0.28 0.74 -0.62 0.00 0.00 178.44 178.96 2min h THR 495 N 0.25 1.13 -0.43 1.05 2.02 -1.13 -0.77 112.91 115.04 2min h THR 495 Ca 0.19 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2min h THR 495 Cb 0.20 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2min h THR 495 CO -0.22 0.13 0.23 0.74 0.37 0.00 0.00 175.52 176.78 2min h THR 496 N 0.61 1.16 0.41 3.16 2.02 -0.87 -1.09 112.91 118.30 2min h THR 496 Ca 0.16 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2min h THR 496 Cb -0.03 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2min h THR 496 CO -0.03 0.16 -0.20 -0.07 0.37 0.00 0.00 175.52 175.76 2min h LEU 497 N 0.55 -0.46 -1.13 2.58 3.38 -0.57 -0.71 115.31 118.95 2min h LEU 497 Ca 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2min h LEU 497 Cb 0.05 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2min h LEU 497 CO -0.02 -0.23 0.45 0.58 0.09 0.00 0.00 178.44 179.31 2min h VAL 498 N -0.67 1.22 0.00 1.22 2.07 -1.11 -2.16 116.25 116.81 2min h VAL 498 Ca -0.06 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 2min h VAL 498 Cb 0.49 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2min h VAL 498 CO 0.09 0.23 -0.58 0.78 0.02 0.00 0.00 177.57 178.11 2min h ASN 499 N 1.07 0.00 -0.51 0.57 -0.26 -1.14 -1.33 115.58 113.98 2min h ASN 499 Ca 0.28 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.92 2min h ASN 499 Cb -0.02 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 2min h ASN 499 CO -0.05 0.58 -0.06 0.28 -1.06 0.00 0.00 177.43 177.12 2min h SER 500 N 0.00 0.96 -0.35 5.81 0.02 -0.62 0.57 113.55 119.94 2min h SER 500 Ca -0.01 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 2min h SER 500 Cb 1.24 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 2min h SER 500 CO 0.08 1.05 0.07 0.40 -1.14 0.00 0.00 176.83 177.29 2min h ILE 501 N 0.88 1.23 -0.02 3.27 2.04 -1.17 -1.87 117.51 121.87 2min h ILE 501 Ca 0.15 -0.79 -0.12 0.00 1.00 0.00 0.00 64.86 65.10 2min h ILE 501 Cb 0.60 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2min h ILE 501 CO 0.04 0.27 -0.55 -0.07 0.00 0.00 0.00 178.15 177.83 2min h LEU 502 N 0.42 0.07 -0.32 1.44 3.38 -0.93 -0.20 115.31 119.17 2min h LEU 502 Ca 0.11 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 2min h LEU 502 Cb 0.32 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2min h LEU 502 CO 0.00 0.61 -0.45 -0.08 0.09 0.00 0.00 178.44 178.62 2min h GLU 503 N 0.05 0.87 -0.46 1.13 4.57 -0.82 -0.64 114.58 119.27 2min h GLU 503 Ca -0.00 -0.51 -0.12 0.00 -1.18 0.00 0.00 59.36 57.55 2min h GLU 503 Cb 0.99 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 2min h GLU 503 CO 0.08 1.15 -0.18 -0.09 -1.18 0.00 0.00 179.01 178.78 2min h ARG 504 N 0.65 0.91 -0.38 1.92 9.65 -1.01 -0.96 114.38 125.16 2min h ARG 504 Ca 0.03 -0.36 -0.01 0.00 -1.10 0.00 0.00 59.98 58.54 2min h ARG 504 Cb 1.05 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.56 2min h ARG 504 CO 0.10 1.01 0.20 1.25 2.80 0.00 0.00 179.97 185.34 2min h LEU 505 N 0.80 0.48 -1.21 3.80 6.46 -0.82 -1.07 115.31 123.74 2min h LEU 505 Ca 0.11 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2min h LEU 505 Cb 0.73 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 2min h LEU 505 CO 0.06 0.45 0.37 0.44 -0.62 0.00 0.00 178.44 179.13 2min h ASP 506 N 0.49 0.81 -0.33 1.25 3.32 -0.89 0.45 116.42 121.52 2min h ASP 506 Ca 0.13 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2min h ASP 506 Cb 0.07 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2min h ASP 506 CO -0.02 0.65 0.11 -0.08 -1.72 0.00 0.00 179.24 178.18 2min h GLU 507 N 0.92 0.50 0.00 3.56 4.81 -0.87 -1.74 114.58 121.77 2min h GLU 507 Ca 0.24 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2min h GLU 507 Cb 0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2min h GLU 507 CO -0.04 0.52 -0.33 0.93 -0.73 0.00 0.00 179.01 179.36 2min h GLU 508 N 0.38 0.00 -0.51 1.92 5.08 -0.75 -3.11 114.58 117.59 2min h GLU 508 Ca 0.11 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2min h GLU 508 Cb 0.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2min h GLU 508 CO -0.01 0.33 0.08 0.25 -1.00 0.00 0.00 179.01 178.67 2min n THR 509 N -3.87 2.66 0.99 1.13 -2.24 0.11 -4.53 114.28 108.53 2min n THR 509 Ca -0.01 -1.74 0.13 0.00 -2.27 0.00 0.00 64.05 60.15 2min n THR 509 Cb 0.40 -0.30 0.44 0.00 -2.10 0.00 0.00 70.33 68.77 2min n THR 509 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2min n ARG 510 N -0.13 0.01 -2.12 -0.78 0.63 -0.68 -3.09 116.66 110.50 2min n ARG 510 Ca 0.30 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.81 2min n ARG 510 Cb 1.15 -1.51 -0.03 0.00 0.45 0.00 0.00 32.46 32.53 2min n ARG 510 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2min s GLY 511 N -3.01 0.85 0.01 5.14 0.00 -1.26 -4.76 107.32 104.29 2min s GLY 511 Ca 0.12 0.05 -0.33 0.00 0.00 0.00 0.00 44.72 44.56 2min s GLY 511 CO 0.61 3.11 1.80 -0.13 0.00 0.00 0.00 173.10 178.50 2min n MET 512 N 8.38 2.30 -1.28 2.90 1.56 -1.26 -0.93 117.12 128.78 2min n MET 512 Ca 0.20 0.84 -0.10 0.00 -0.27 0.00 0.00 57.70 58.38 2min n MET 512 Cb 0.48 -2.68 -0.04 0.00 2.15 0.00 0.00 33.22 33.13 2min n MET 512 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 2min n GLN 513 N 5.75 -1.63 0.05 2.12 7.27 -1.26 -4.76 117.38 124.91 2min n GLN 513 Ca 0.20 0.82 0.00 0.00 0.07 0.00 0.00 57.00 58.10 2min n GLN 513 Cb 0.31 -5.20 0.00 0.00 2.41 0.00 0.00 30.24 27.76 2min n GLN 513 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2min n ALA 514 N 1.18 3.00 -0.00 1.69 0.00 -0.55 -4.93 120.51 120.89 2min n ALA 514 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2min n ALA 514 Cb 0.56 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2min n ALA 514 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2min n THR 515 N -3.25 0.00 1.40 0.00 -2.24 -0.11 -4.73 114.28 105.35 2min n THR 515 Ca 0.00 -0.49 0.06 0.00 -2.27 0.00 0.00 64.05 61.35 2min n THR 515 Cb 0.00 1.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.62 2min n THR 515 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2min n ASP 516 N -0.65 0.00 0.24 3.42 5.75 -0.53 -2.18 116.55 122.60 2min n ASP 516 Ca 0.00 -1.00 0.06 0.00 -0.01 0.00 0.00 54.79 53.85 2min n ASP 516 Cb 0.00 0.00 0.56 0.00 -1.03 0.00 0.00 41.12 40.65 2min n ASP 516 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 2min h TYR 517 N 0.00 0.00 -0.57 2.11 -0.00 -1.84 -1.34 116.97 115.33 2min h TYR 517 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2min h TYR 517 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 2min h TYR 517 CO 0.00 0.12 0.00 -1.71 -0.00 0.00 0.00 178.16 176.57 2min n ASN 518 N -4.38 4.74 -4.19 0.10 5.15 -0.93 -4.77 115.26 110.98 2min n ASN 518 Ca -0.03 -2.57 -0.43 0.00 -0.60 0.00 0.00 54.58 50.95 2min n ASN 518 Cb 0.19 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 2min n ASN 518 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2min n HIS 519 N 0.85 4.07 -2.38 1.20 -0.00 -0.51 -4.92 115.22 113.54 2min n HIS 519 Ca 0.24 -3.05 -0.41 0.00 0.46 0.00 0.00 57.72 54.96 2min n HIS 519 Cb 0.94 -2.21 -0.03 0.00 -0.12 0.00 0.00 29.99 28.56 2min n HIS 519 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2min s ASP 520 N 2.38 7.09 0.24 0.26 1.01 -1.26 -4.93 116.67 121.45 2min s ASP 520 Ca 0.44 2.23 -0.04 0.00 0.71 0.00 0.00 52.55 55.89 2min s ASP 520 Cb 0.04 -2.61 0.28 0.00 1.01 0.00 0.00 42.92 41.64 2min s ASP 520 CO 0.00 -0.37 1.76 0.25 0.21 0.00 0.00 175.17 177.03 2min h LEU 521 N 5.26 0.88 -8.48 1.23 5.85 -2.00 -3.42 115.31 114.62 2min h LEU 521 Ca -0.44 -0.19 -0.66 0.00 0.84 0.00 0.00 57.88 57.43 2min h LEU 521 Cb 1.21 -0.23 -0.27 0.00 0.37 0.00 0.00 40.66 41.74 2min h LEU 521 CO 0.75 0.88 -0.73 -0.69 -0.34 0.00 0.00 178.44 178.31 2min s VAL 522 N -5.16 3.28 0.00 1.05 1.01 -1.26 -5.28 120.40 114.04 2min s VAL 522 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2min s VAL 522 Cb 0.15 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2min s VAL 522 CO 0.82 0.46 0.17 0.54 0.00 0.00 0.00 175.10 177.09