#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kee n PRO 2 N 0.00 -0.14 -1.81 0.03 -0.04 -1.25 -3.18 135.00 128.60 1kee n PRO 2 Ca 0.00 -0.52 -0.39 0.00 -0.04 0.00 0.00 63.50 62.55 1kee n PRO 2 Cb 0.00 -0.29 0.02 0.00 -0.04 0.00 0.00 33.50 33.20 1kee n PRO 2 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1kee s LYS 3 N -3.54 3.56 0.59 0.54 -2.85 -1.26 -3.99 119.74 112.80 1kee s LYS 3 Ca 0.17 2.36 -0.20 0.00 -1.00 0.00 0.00 55.97 57.30 1kee s LYS 3 Cb -0.01 -2.56 -0.03 0.00 -2.06 0.00 0.00 37.83 33.17 1kee s LYS 3 CO 0.12 -0.89 1.31 1.03 0.10 0.00 0.00 175.35 177.02 1kee s ARG 4 N -2.56 2.89 -0.06 1.78 0.52 0.20 -4.96 118.95 116.77 1kee s ARG 4 Ca 0.63 2.11 0.07 0.00 -0.52 0.00 0.00 55.73 58.03 1kee s ARG 4 Cb -0.42 -2.05 -0.10 0.00 0.52 0.00 0.00 34.95 32.89 1kee s ARG 4 CO 0.54 -1.35 0.07 -2.37 0.02 0.00 0.00 175.30 172.21 1kee n THR 5 N -1.44 0.36 1.06 0.02 5.66 -1.26 -4.46 114.28 114.22 1kee n THR 5 Ca 0.13 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1kee n THR 5 Cb 0.47 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1kee n THR 5 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1kee n ASP 6 N -2.13 0.82 -3.86 1.09 3.85 -1.26 -4.58 116.55 110.47 1kee n ASP 6 Ca -0.09 -1.87 -0.20 0.00 -0.71 0.00 0.00 54.79 51.91 1kee n ASP 6 Cb 0.59 -0.41 -0.17 0.00 -1.35 0.00 0.00 41.12 39.78 1kee n ASP 6 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1kee s ILE 7 N -1.13 0.48 0.00 2.12 1.01 -1.26 -4.98 121.20 117.44 1kee s ILE 7 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1kee s ILE 7 Cb 0.00 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.93 1kee s ILE 7 CO 0.00 0.23 0.00 0.29 0.00 0.00 0.00 174.94 175.46 1kee n LYS 8 N 4.29 0.00 -4.85 2.79 5.02 -1.26 -4.96 118.16 119.20 1kee n LYS 8 Ca -0.21 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.75 1kee n LYS 8 Cb 0.51 -0.77 -0.13 0.00 -0.02 0.00 0.00 35.03 34.62 1kee n LYS 8 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1kee s SER 9 N -4.24 4.11 -0.03 4.39 1.04 -1.26 0.24 113.70 117.95 1kee s SER 9 Ca 0.00 -0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.26 1kee s SER 9 Cb 0.00 -0.95 0.02 0.00 0.10 0.00 0.00 66.02 65.18 1kee s SER 9 CO 0.00 0.33 -0.03 -0.63 0.98 0.00 0.00 173.24 173.89 1kee s ILE 10 N -0.65 0.39 -0.18 -1.02 1.01 0.46 -2.19 121.20 119.02 1kee s ILE 10 Ca 0.10 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 1kee s ILE 10 Cb -0.11 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 1kee s ILE 10 CO 0.01 0.17 0.18 -0.22 0.00 0.00 0.00 174.94 175.09 1kee s LEU 11 N 0.68 4.23 -0.19 2.97 2.96 0.30 -0.27 118.68 129.36 1kee s LEU 11 Ca -0.08 0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1kee s LEU 11 Cb -0.11 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 1kee s LEU 11 CO -0.00 0.17 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.50 1kee s ILE 12 N 0.31 3.34 -0.27 6.68 1.01 0.18 -0.00 121.20 132.44 1kee s ILE 12 Ca 0.11 -0.52 -0.28 0.00 0.00 0.00 0.00 60.65 59.96 1kee s ILE 12 Cb -0.12 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.87 1kee s ILE 12 CO 0.00 0.45 1.00 -0.76 0.00 0.00 0.00 174.94 175.64 1kee s LEU 13 N 1.13 4.04 0.83 2.97 1.43 -0.95 -2.44 118.68 125.68 1kee s LEU 13 Ca 0.01 1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 54.17 1kee s LEU 13 Cb -0.15 -3.45 0.14 0.00 0.03 0.00 0.00 46.19 42.77 1kee s LEU 13 CO -0.01 -0.72 1.15 -0.83 0.23 0.00 0.00 176.35 176.17 1kee s GLY 14 N 1.42 1.74 0.18 -3.19 0.00 -0.36 -3.45 107.32 103.66 1kee s GLY 14 Ca 0.42 -1.25 0.19 0.00 0.00 0.00 0.00 44.72 44.09 1kee s GLY 14 CO 0.10 -0.64 1.06 0.00 0.00 0.00 0.00 173.10 173.63 1kee h ALA 15 N -1.05 0.63 0.00 3.20 0.00 -1.82 -3.38 119.26 116.85 1kee h ALA 15 Ca -0.42 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1kee h ALA 15 Cb 1.27 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1kee h ALA 15 CO 0.46 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.58 1kee n GLY 16 N 1.27 -1.81 3.69 0.00 0.00 -1.26 -4.71 105.19 102.37 1kee n GLY 16 Ca -0.03 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 1kee n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kee n PRO 17 N 0.00 0.75 -2.58 1.61 -0.04 -1.26 -4.54 135.00 128.93 1kee n PRO 17 Ca 0.00 0.32 -0.41 0.00 -0.04 0.00 0.00 63.50 63.37 1kee n PRO 17 Cb 0.00 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 30.99 1kee n PRO 17 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1kee s ILE 18 N -1.66 4.15 0.14 0.52 -1.09 -1.26 -4.94 121.20 117.06 1kee s ILE 18 Ca 0.78 1.77 -0.00 0.00 -2.23 0.00 0.00 60.65 60.97 1kee s ILE 18 Cb -0.35 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.35 1kee s ILE 18 CO 0.45 0.26 0.03 0.68 -1.23 0.00 0.00 174.94 175.13 1kee s VAL 19 N 0.06 0.32 0.24 2.92 -7.23 -0.99 -2.50 120.40 113.21 1kee s VAL 19 Ca 0.50 -1.92 -0.31 0.00 -1.81 0.00 0.00 61.98 58.44 1kee s VAL 19 Cb -0.27 -2.01 -0.11 0.00 0.56 0.00 0.00 36.38 34.55 1kee s VAL 19 CO 0.32 -0.53 1.62 -0.63 -0.31 0.00 0.00 175.10 175.57 1kee s ILE 20 N -3.90 2.18 0.00 -0.62 1.01 -1.26 -1.64 121.20 116.97 1kee s ILE 20 Ca 0.22 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1kee s ILE 20 Cb 0.07 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1kee s ILE 20 CO 0.01 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1kee n GLY 21 N 3.04 3.34 2.53 6.18 0.00 -1.26 -4.90 105.19 114.13 1kee n GLY 21 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1kee n GLY 21 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kee s GLN 22 N -0.70 0.94 0.00 1.61 0.74 -0.65 -4.64 119.66 116.95 1kee s GLN 22 Ca 0.00 -1.69 0.00 0.00 0.05 0.00 0.00 55.36 53.72 1kee s GLN 22 Cb 0.00 -0.93 0.00 0.00 1.10 0.00 0.00 33.01 33.18 1kee s GLN 22 CO 0.00 -1.36 0.00 0.00 -0.55 0.00 0.00 175.29 173.38 1kee n ALA 23 N 2.98 0.00 -0.05 1.58 0.00 -1.23 -2.35 120.51 121.43 1kee n ALA 23 Ca 0.25 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.93 1kee n ALA 23 Cb 0.50 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.60 1kee n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kee h GLU 25 N 0.00 0.00 0.00 0.00 9.09 -1.93 -0.85 114.58 120.89 1kee h GLU 25 Ca 0.33 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.60 1kee h GLU 25 Cb 1.81 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.89 1kee h GLU 25 CO -0.00 0.00 -0.81 0.74 0.05 0.00 0.00 179.01 178.99 1kee h PHE 26 N 0.00 0.00 -0.10 2.06 0.04 -1.64 -1.74 116.94 115.56 1kee h PHE 26 Ca 0.27 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.88 1kee h PHE 26 Cb 1.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.39 1kee h PHE 26 CO 0.00 0.62 -0.63 0.22 -0.60 0.00 0.00 178.31 177.92 1kee h ASP 27 N 0.00 0.42 -0.11 2.17 1.82 -1.38 0.67 116.42 120.01 1kee h ASP 27 Ca -0.05 -0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 56.34 1kee h ASP 27 Cb 1.51 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 41.40 1kee h ASP 27 CO 0.07 0.94 0.02 0.22 -1.61 0.00 0.00 179.24 178.89 1kee h TYR 28 N 0.27 0.19 -0.20 0.28 3.20 -1.34 0.28 116.97 119.65 1kee h TYR 28 Ca -0.01 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 1kee h TYR 28 Cb 1.16 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 1kee h TYR 28 CO 0.03 0.36 -0.18 0.66 -1.64 0.00 0.00 178.16 177.40 1kee h SER 29 N -0.03 0.50 -0.87 -2.11 4.64 -1.26 -0.93 113.55 113.49 1kee h SER 29 Ca 0.03 -0.46 0.06 0.00 -0.47 0.00 0.00 61.79 60.95 1kee h SER 29 Cb 0.27 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 1kee h SER 29 CO 0.00 0.86 0.55 1.23 -0.87 0.00 0.00 176.83 178.60 1kee h GLY 30 N 0.15 1.31 1.11 -0.77 0.00 0.36 -1.41 103.07 103.82 1kee h GLY 30 Ca 0.03 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 1kee h GLY 30 CO 0.04 0.29 -0.22 0.00 0.00 0.00 0.00 176.54 176.65 1kee h ALA 31 N 1.40 0.68 -0.78 3.60 0.00 -0.86 -1.51 119.26 121.79 1kee h ALA 31 Ca 0.37 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1kee h ALA 31 Cb 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1kee h ALA 31 CO -0.16 0.68 0.37 1.96 0.00 0.00 0.00 179.25 182.10 1kee h GLN 32 N 0.86 1.11 -0.32 0.00 4.20 -0.58 -0.45 115.11 119.93 1kee h GLN 32 Ca 0.11 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1kee h GLN 32 Cb 0.81 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1kee h GLN 32 CO 0.07 0.86 -0.10 0.00 -0.67 0.00 0.00 178.83 178.99 1kee h ALA 33 N 1.30 0.45 -0.37 3.87 0.00 -1.08 0.66 119.26 124.08 1kee h ALA 33 Ca 0.27 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1kee h ALA 33 Cb 0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1kee h ALA 33 CO -0.03 0.30 0.14 0.00 0.00 0.00 0.00 179.25 179.66 1kee h LYS 35 N 0.30 0.84 -0.33 0.00 3.64 -0.92 0.49 116.57 120.59 1kee h LYS 35 Ca 0.17 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1kee h LYS 35 Cb 0.14 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1kee h LYS 35 CO -0.17 0.58 0.01 0.00 -2.27 0.00 0.00 179.45 177.61 1kee h ALA 36 N 1.21 0.45 -0.08 5.00 0.00 -0.16 -1.45 119.26 124.23 1kee h ALA 36 Ca 0.23 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1kee h ALA 36 Cb -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1kee h ALA 36 CO -0.05 0.19 -0.84 -0.07 0.00 0.00 0.00 179.25 178.48 1kee h LEU 37 N 0.39 0.75 -0.52 0.00 3.38 -0.78 -2.72 115.31 115.82 1kee h LEU 37 Ca 0.10 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1kee h LEU 37 Cb 0.43 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1kee h LEU 37 CO 0.01 1.32 0.31 -0.09 0.09 0.00 0.00 178.44 180.08 1kee h ARG 38 N 0.40 0.70 -0.26 1.13 2.43 -0.86 -1.74 114.38 116.18 1kee h ARG 38 Ca -0.07 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1kee h ARG 38 Cb 1.47 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1kee h ARG 38 CO 0.16 0.51 0.19 0.93 -1.51 0.00 0.00 179.97 180.25 1kee h GLU 39 N 0.69 0.00 -0.31 0.20 5.08 -1.21 0.07 114.58 119.11 1kee h GLU 39 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1kee h GLU 39 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1kee h GLU 39 CO -0.03 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.37 1kee n GLU 40 N -4.43 1.81 -1.47 2.33 -0.58 -0.71 -4.93 120.64 112.65 1kee n GLU 40 Ca 0.03 -1.24 -0.04 0.00 -0.42 0.00 0.00 57.16 55.49 1kee n GLU 40 Cb 0.34 -1.31 -0.01 0.00 -0.57 0.00 0.00 31.44 29.90 1kee n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kee n GLY 41 N 1.09 0.49 3.94 0.62 0.00 0.01 -5.05 105.19 106.29 1kee n GLY 41 Ca 0.13 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 1kee n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kee s TYR 42 N -2.15 3.46 -0.28 1.61 2.02 -0.86 -5.04 117.35 116.11 1kee s TYR 42 Ca 0.00 0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 56.93 1kee s TYR 42 Cb 0.00 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1kee s TYR 42 CO 0.00 -0.06 0.60 0.50 -1.57 0.00 0.00 175.55 175.02 1kee s ARG 43 N -4.46 3.99 -0.18 -0.62 3.52 0.14 -4.53 118.95 116.81 1kee s ARG 43 Ca 0.43 0.37 -0.08 0.00 -0.13 0.00 0.00 55.73 56.32 1kee s ARG 43 Cb -0.10 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 1kee s ARG 43 CO 0.38 -0.47 0.07 0.08 -0.81 0.00 0.00 175.30 174.54 1kee s VAL 44 N 2.50 4.83 -0.08 7.11 1.01 -1.26 -0.41 120.40 134.10 1kee s VAL 44 Ca 0.24 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1kee s VAL 44 Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1kee s VAL 44 CO 0.10 0.46 -0.20 -0.63 0.00 0.00 0.00 175.10 174.84 1kee s ILE 45 N 0.34 1.71 0.05 2.22 1.01 0.63 -1.79 121.20 125.37 1kee s ILE 45 Ca 0.03 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1kee s ILE 45 Cb -0.12 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1kee s ILE 45 CO -0.00 0.48 -0.05 -1.48 0.00 0.00 0.00 174.94 173.89 1kee s LEU 46 N 0.37 2.38 -0.09 2.97 -0.00 -0.45 0.49 118.68 124.36 1kee s LEU 46 Ca -0.15 -0.78 0.03 0.00 -0.00 0.00 0.00 54.13 53.23 1kee s LEU 46 Cb -0.16 0.03 0.01 0.00 -0.00 0.00 0.00 46.19 46.06 1kee s LEU 46 CO 0.06 -0.41 -0.17 0.54 -0.00 0.00 0.00 176.35 176.37 1kee s VAL 47 N -2.70 1.54 -0.23 1.48 0.11 -1.02 -0.67 120.40 118.92 1kee s VAL 47 Ca -0.01 -0.71 -0.07 0.00 -2.93 0.00 0.00 61.98 58.26 1kee s VAL 47 Cb -0.01 -1.38 0.11 0.00 -1.53 0.00 0.00 36.38 33.57 1kee s VAL 47 CO -0.04 0.45 0.48 0.21 -3.33 0.00 0.00 175.10 172.86 1kee s ASN 48 N 0.63 -0.47 0.13 3.54 3.84 0.06 -1.22 114.94 121.45 1kee s ASN 48 Ca -0.14 1.09 0.23 0.00 0.21 0.00 0.00 52.86 54.25 1kee s ASN 48 Cb -0.16 1.59 0.91 0.00 -0.55 0.00 0.00 41.25 43.03 1kee s ASN 48 CO 0.04 -0.23 1.71 -1.54 -2.79 0.00 0.00 177.10 174.29 1kee n SER 49 N 5.40 0.40 -4.59 -4.21 3.41 -1.22 -3.98 113.62 108.83 1kee n SER 49 Ca -0.09 0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 58.66 1kee n SER 49 Cb 0.49 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 1kee n SER 49 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1kee s ASN 50 N -3.74 6.59 0.37 4.04 2.47 -1.26 -1.18 114.94 122.23 1kee s ASN 50 Ca 0.09 0.35 0.20 0.00 0.42 0.00 0.00 52.86 53.92 1kee s ASN 50 Cb 0.12 -2.47 0.46 0.00 -1.45 0.00 0.00 41.25 37.91 1kee s ASN 50 CO 0.44 -1.01 1.63 1.55 -3.72 0.00 0.00 177.10 175.99 1kee h PRO 51 N 8.87 0.00 -1.09 0.43 0.13 -1.83 -3.31 132.00 135.20 1kee h PRO 51 Ca -0.23 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.84 1kee h PRO 51 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1kee h PRO 51 CO 1.03 0.30 0.08 0.00 -0.23 0.00 0.00 178.00 179.18 1kee n ALA 52 N -2.20 2.99 -2.56 -0.56 0.00 -1.26 -4.69 120.51 112.22 1kee n ALA 52 Ca 0.02 -0.33 -0.31 0.00 0.00 0.00 0.00 53.44 52.81 1kee n ALA 52 Cb 0.58 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 1kee n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1kee s THR 53 N -0.39 3.38 0.24 0.00 -4.23 -1.25 -4.56 115.64 108.83 1kee s THR 53 Ca 0.06 -1.03 0.17 0.00 -1.18 0.00 0.00 61.69 59.71 1kee s THR 53 Cb 0.05 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.50 1kee s THR 53 CO 0.01 0.28 1.75 0.40 -0.54 0.00 0.00 174.62 176.52 1kee h ILE 54 N 3.61 1.02 0.00 2.99 1.08 -1.89 -2.90 117.51 121.42 1kee h ILE 54 Ca -0.48 -1.53 -0.01 0.00 -0.39 0.00 0.00 64.86 62.45 1kee h ILE 54 Cb 1.16 1.89 -0.00 0.00 -3.07 0.00 0.00 36.82 36.81 1kee h ILE 54 CO 0.52 0.40 -0.05 0.00 -0.69 0.00 0.00 178.15 178.33 1kee h MET 55 N 0.00 0.00 -0.63 2.37 -0.00 -1.94 -0.45 114.93 114.29 1kee h MET 55 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1kee h MET 55 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.46 1kee h MET 55 CO 0.05 0.05 0.00 0.25 -0.00 0.00 0.00 176.91 177.26 1kee n THR 56 N -3.36 1.14 -2.32 -0.10 -2.24 -1.09 -4.78 114.28 101.53 1kee n THR 56 Ca -0.02 -0.90 -0.42 0.00 -2.27 0.00 0.00 64.05 60.44 1kee n THR 56 Cb 0.18 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 1kee n THR 56 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1kee s ASP 57 N -0.92 6.99 0.57 3.42 -0.00 -0.18 -4.86 116.67 121.68 1kee s ASP 57 Ca 0.42 2.17 0.33 0.00 -0.00 0.00 0.00 52.55 55.47 1kee s ASP 57 Cb 0.24 -2.59 1.45 0.00 -0.00 0.00 0.00 42.92 42.03 1kee s ASP 57 CO 0.25 -0.52 1.78 1.55 -0.00 0.00 0.00 175.17 178.24 1kee h PRO 58 N 6.46 0.00 -0.01 8.23 0.13 -1.90 0.22 132.00 145.14 1kee h PRO 58 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1kee h PRO 58 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1kee h PRO 58 CO 0.82 0.00 -0.06 -0.85 -0.23 0.00 0.00 178.00 177.68 1kee n GLU 59 N -3.93 1.20 0.06 0.86 0.28 -1.26 -3.90 120.64 113.95 1kee n GLU 59 Ca 0.19 -0.53 0.11 0.00 -0.16 0.00 0.00 57.16 56.77 1kee n GLU 59 Cb 1.07 -1.49 -0.02 0.00 1.43 0.00 0.00 31.44 32.43 1kee n GLU 59 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1kee n MET 60 N -0.44 0.53 -4.11 3.44 2.81 0.76 -4.98 117.12 115.12 1kee n MET 60 Ca 0.18 0.02 -0.14 0.00 -1.81 0.00 0.00 57.70 55.95 1kee n MET 60 Cb 0.28 -1.70 -0.05 0.00 -0.71 0.00 0.00 33.22 31.04 1kee n MET 60 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kee s ALA 61 N -3.35 0.78 -0.06 3.04 0.00 -1.25 -4.65 121.76 116.27 1kee s ALA 61 Ca -0.01 -1.50 0.06 0.00 0.00 0.00 0.00 51.96 50.50 1kee s ALA 61 Cb 0.12 1.20 -0.24 0.00 0.00 0.00 0.00 23.12 24.20 1kee s ALA 61 CO 0.82 -0.76 0.59 -0.44 0.00 0.00 0.00 175.76 175.97 1kee h ASP 62 N 2.19 0.15 -2.35 0.00 3.32 -1.75 -3.45 116.42 114.54 1kee h ASP 62 Ca -0.28 -0.33 -0.35 0.00 0.02 0.00 0.00 57.03 56.08 1kee h ASP 62 Cb 1.24 -0.05 -0.35 0.00 0.22 0.00 0.00 39.33 40.39 1kee h ASP 62 CO 0.40 1.29 -0.65 0.00 -1.72 0.00 0.00 179.24 178.56 1kee s ALA 63 N -2.59 -0.26 -0.26 3.45 0.00 -0.74 -4.93 121.76 116.42 1kee s ALA 63 Ca -0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.51 1kee s ALA 63 Cb 0.07 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1kee s ALA 63 CO 0.81 -1.55 0.16 0.99 0.00 0.00 0.00 175.76 176.17 1kee s THR 64 N 2.32 5.13 -0.29 0.00 2.01 -1.26 -1.34 115.64 122.20 1kee s THR 64 Ca 0.09 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 1kee s THR 64 Cb -0.15 -3.42 0.05 0.00 0.01 0.00 0.00 72.50 68.99 1kee s THR 64 CO -0.27 0.29 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.61 1kee s TYR 65 N 1.56 3.24 -0.95 4.92 2.02 0.16 0.33 117.35 128.63 1kee s TYR 65 Ca 0.07 -1.90 -0.14 0.00 -0.37 0.00 0.00 57.07 54.73 1kee s TYR 65 Cb -0.15 -2.07 0.21 0.00 -0.40 0.00 0.00 41.96 39.55 1kee s TYR 65 CO 0.08 -0.81 0.97 0.42 -1.57 0.00 0.00 175.55 174.64 1kee s ILE 66 N 1.24 5.51 0.04 2.71 1.01 -1.26 -0.76 121.20 129.70 1kee s ILE 66 Ca -0.05 -2.56 -0.01 0.00 0.00 0.00 0.00 60.65 58.02 1kee s ILE 66 Cb -0.19 -4.59 -0.03 0.00 0.01 0.00 0.00 42.46 37.65 1kee s ILE 66 CO -0.02 -1.20 -0.02 -1.61 0.00 0.00 0.00 174.94 172.09 1kee s GLU 67 N 0.37 0.53 0.18 2.79 0.41 -1.26 -4.63 118.70 117.10 1kee s GLU 67 Ca 0.26 -1.02 -0.33 0.00 -0.41 0.00 0.00 54.97 53.47 1kee s GLU 67 Cb -0.09 0.19 -0.14 0.00 -1.78 0.00 0.00 34.13 32.31 1kee s GLU 67 CO -0.08 -0.10 1.42 -2.30 -0.49 0.00 0.00 175.26 173.71 1kee n PRO 68 N 0.55 1.84 -2.18 0.39 -0.01 -1.26 -3.43 135.00 130.90 1kee n PRO 68 Ca -0.17 0.66 -0.43 0.00 -0.01 0.00 0.00 63.50 63.55 1kee n PRO 68 Cb 0.59 -2.33 0.00 0.00 -0.01 0.00 0.00 33.50 31.75 1kee n PRO 68 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 175.50 174.60 1kee n ILE 69 N 2.44 3.89 -5.18 4.25 5.41 -1.26 -4.64 119.36 124.25 1kee n ILE 69 Ca 0.15 -3.79 -0.32 0.00 1.00 0.00 0.00 62.75 59.79 1kee n ILE 69 Cb 0.28 -2.48 -0.16 0.00 -0.71 0.00 0.00 39.64 36.58 1kee n ILE 69 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1kee s HIS 70 N 2.35 2.50 0.30 1.39 2.46 -1.26 -5.01 115.29 118.01 1kee s HIS 70 Ca 0.45 -0.64 0.05 0.00 0.47 0.00 0.00 55.06 55.40 1kee s HIS 70 Cb 0.09 -1.62 0.72 0.00 -0.13 0.00 0.00 32.58 31.64 1kee s HIS 70 CO -0.02 -0.16 1.77 0.11 -2.47 0.00 0.00 174.74 173.97 1kee h TRP 71 N 6.00 1.03 -0.55 3.88 5.08 -1.91 0.57 115.95 130.05 1kee h TRP 71 Ca -0.34 0.03 -0.06 0.00 1.08 0.00 0.00 58.89 59.60 1kee h TRP 71 Cb 1.17 -0.31 -0.02 0.00 -3.00 0.00 0.00 29.16 27.00 1kee h TRP 71 CO 0.44 0.22 0.08 0.93 -1.28 0.00 0.00 178.44 178.83 1kee h GLU 72 N 0.74 0.88 -0.21 0.12 5.08 -1.96 0.46 114.58 119.69 1kee h GLU 72 Ca 0.57 -0.21 -0.18 0.00 -1.00 0.00 0.00 59.36 58.53 1kee h GLU 72 Cb 0.88 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1kee h GLU 72 CO -0.39 0.83 -0.58 0.28 -1.00 0.00 0.00 179.01 178.15 1kee h VAL 73 N 0.83 1.29 0.00 3.13 2.07 -1.14 -2.43 116.25 120.01 1kee h VAL 73 Ca 0.17 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 65.86 1kee h VAL 73 Cb 0.38 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1kee h VAL 73 CO 0.01 0.57 -0.20 0.58 0.02 0.00 0.00 177.57 178.55 1kee h VAL 74 N 0.50 1.13 -0.37 2.57 2.07 0.39 -1.58 116.25 120.95 1kee h VAL 74 Ca -0.01 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1kee h VAL 74 Cb 1.20 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1kee h VAL 74 CO 0.13 0.20 0.18 -0.09 0.02 0.00 0.00 177.57 178.00 1kee h ARG 75 N 0.00 0.52 -0.01 1.57 2.43 0.25 -0.77 114.38 118.38 1kee h ARG 75 Ca -0.00 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1kee h ARG 75 Cb 0.36 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1kee h ARG 75 CO 0.03 0.46 -0.09 0.87 -1.51 0.00 0.00 179.97 179.73 1kee h LYS 76 N 0.46 0.01 -0.15 0.20 1.79 -0.85 0.23 116.57 118.27 1kee h LYS 76 Ca 0.13 -0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.41 1kee h LYS 76 Cb 0.10 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1kee h LYS 76 CO -0.02 0.10 -0.64 0.82 -1.08 0.00 0.00 179.45 178.64 1kee h ILE 77 N 0.01 1.31 -0.25 1.86 2.04 -0.56 -1.95 117.51 119.98 1kee h ILE 77 Ca 0.00 -1.88 -0.05 0.00 1.00 0.00 0.00 64.86 63.93 1kee h ILE 77 Cb 0.16 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1kee h ILE 77 CO 0.01 0.59 -0.04 0.40 0.00 0.00 0.00 178.15 179.11 1kee h ILE 78 N 0.38 1.28 -0.99 -0.67 2.04 -0.67 0.32 117.51 119.19 1kee h ILE 78 Ca -0.04 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 64.87 1kee h ILE 78 Cb 1.27 1.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.72 1kee h ILE 78 CO 0.13 0.32 0.64 -0.08 0.00 0.00 0.00 178.15 179.16 1kee h GLU 79 N 0.22 1.10 0.07 2.37 4.81 -0.60 0.71 114.58 123.26 1kee h GLU 79 Ca 0.07 -0.07 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1kee h GLU 79 Cb 0.49 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1kee h GLU 79 CO 0.02 0.73 -1.32 -0.22 -0.73 0.00 0.00 179.01 177.49 1kee h LYS 80 N 1.13 0.16 0.00 1.92 3.64 -1.17 -3.37 116.57 118.87 1kee h LYS 80 Ca 0.44 -0.27 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1kee h LYS 80 Cb 0.22 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1kee h LYS 80 CO -0.18 1.04 -1.97 0.39 -2.27 0.00 0.00 179.45 176.46 1kee n GLU 81 N -3.40 0.66 -3.52 1.90 -0.58 0.11 -5.01 120.64 110.80 1kee n GLU 81 Ca -0.10 -0.05 -0.25 0.00 -0.42 0.00 0.00 57.16 56.35 1kee n GLU 81 Cb 1.01 -1.59 0.05 0.00 -0.57 0.00 0.00 31.44 30.35 1kee n GLU 81 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1kee n ARG 82 N -2.55 -1.88 -2.35 3.49 5.12 0.24 -4.94 116.66 113.80 1kee n ARG 82 Ca -0.14 0.63 -0.35 0.00 -1.93 0.00 0.00 57.85 56.05 1kee n ARG 82 Cb 0.80 -4.85 -0.01 0.00 -1.16 0.00 0.00 32.46 27.24 1kee n ARG 82 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1kee s PRO 83 N -5.37 3.62 -0.03 5.56 0.04 -1.26 -4.96 135.00 132.60 1kee s PRO 83 Ca 0.44 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.83 1kee s PRO 83 Cb -0.12 -2.16 -0.23 0.00 0.04 0.00 0.00 34.50 32.03 1kee s PRO 83 CO 0.81 -0.62 1.07 -0.44 0.04 0.00 0.00 177.00 177.86 1kee h ASP 84 N 1.59 0.32 -2.90 6.66 3.45 -1.75 -3.40 116.42 120.38 1kee h ASP 84 Ca -0.50 -0.75 -0.50 0.00 0.43 0.00 0.00 57.03 55.71 1kee h ASP 84 Cb 1.24 -0.10 -0.14 0.00 -0.56 0.00 0.00 39.33 39.78 1kee h ASP 84 CO 0.59 1.03 -0.62 0.00 -1.57 0.00 0.00 179.24 178.66 1kee s ALA 85 N -3.23 2.50 -0.02 3.45 0.00 -0.97 0.18 121.76 123.67 1kee s ALA 85 Ca -0.15 -2.08 0.01 0.00 0.00 0.00 0.00 51.96 49.74 1kee s ALA 85 Cb 0.02 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1kee s ALA 85 CO 0.76 -0.23 -0.03 0.54 0.00 0.00 0.00 175.76 176.81 1kee s VAL 86 N -3.14 0.32 -0.32 0.00 0.11 0.96 -0.54 120.40 117.78 1kee s VAL 86 Ca 0.35 -0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.29 1kee s VAL 86 Cb 0.08 -0.33 0.05 0.00 -1.53 0.00 0.00 36.38 34.65 1kee s VAL 86 CO 0.15 0.14 0.06 -0.22 -3.33 0.00 0.00 175.10 171.90 1kee s LEU 87 N 0.49 4.18 -0.01 2.54 2.96 1.00 -1.12 118.68 128.73 1kee s LEU 87 Ca -0.05 -1.32 0.16 0.00 -0.22 0.00 0.00 54.13 52.70 1kee s LEU 87 Cb -0.09 -1.77 0.48 0.00 0.50 0.00 0.00 46.19 45.31 1kee s LEU 87 CO -0.01 -0.31 1.40 -0.81 -1.32 0.00 0.00 176.35 175.30 1kee n PRO 88 N 4.68 2.85 -0.21 0.98 -0.04 -1.26 -2.25 135.00 139.74 1kee n PRO 88 Ca -0.12 -2.37 0.11 0.00 -0.04 0.00 0.00 63.50 61.09 1kee n PRO 88 Cb 0.43 -1.44 0.26 0.00 -0.04 0.00 0.00 33.50 32.71 1kee n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1kee n THR 89 N 1.02 0.56 -0.28 0.52 -2.24 -1.26 -3.38 114.28 109.21 1kee n THR 89 Ca 0.18 -0.73 0.05 0.00 -2.27 0.00 0.00 64.05 61.29 1kee n THR 89 Cb 0.54 0.76 0.15 0.00 -2.10 0.00 0.00 70.33 69.68 1kee n THR 89 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1kee n MET 90 N 1.32 2.87 -2.57 -0.78 2.81 -1.26 -1.80 117.12 117.71 1kee n MET 90 Ca 0.20 -2.11 -0.06 0.00 -1.81 0.00 0.00 57.70 53.91 1kee n MET 90 Cb 0.56 -1.32 0.04 0.00 -0.71 0.00 0.00 33.22 31.79 1kee n MET 90 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kee n GLY 91 N 0.24 3.06 7.00 3.03 0.00 -1.22 -3.97 105.19 113.33 1kee n GLY 91 Ca 0.12 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1kee n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 92 N -0.61 1.10 0.27 -0.02 0.00 -1.26 -1.45 105.19 103.22 1kee n GLY 92 Ca 0.17 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 1kee n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1kee h GLN 93 N 0.00 0.75 -0.52 1.61 5.75 -1.95 -2.91 115.11 117.84 1kee h GLN 93 Ca 0.00 -0.27 0.10 0.00 -0.15 0.00 0.00 58.65 58.33 1kee h GLN 93 Cb 0.00 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.41 1kee h GLN 93 CO 0.00 0.87 0.02 1.15 -2.65 0.00 0.00 178.83 178.21 1kee h THR 94 N 0.67 0.61 -0.52 2.39 2.02 -1.83 0.54 112.91 116.79 1kee h THR 94 Ca 0.11 -0.05 -0.12 0.00 0.77 0.00 0.00 66.41 67.12 1kee h THR 94 Cb 0.65 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1kee h THR 94 CO 0.05 0.02 -0.16 0.00 0.37 0.00 0.00 175.52 175.80 1kee h ALA 95 N 1.45 0.72 0.09 6.16 0.00 -1.14 0.12 119.26 126.67 1kee h ALA 95 Ca 0.26 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kee h ALA 95 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1kee h ALA 95 CO -0.42 0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 179.39 1kee h LEU 96 N 0.90 -0.10 -0.53 0.00 3.38 -1.15 -0.59 115.31 117.21 1kee h LEU 96 Ca 0.13 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1kee h LEU 96 Cb 0.73 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1kee h LEU 96 CO 0.06 0.13 0.14 0.78 0.09 0.00 0.00 178.44 179.64 1kee h ASN 97 N -0.34 0.08 -0.53 -0.43 2.35 0.16 -1.36 115.58 115.51 1kee h ASN 97 Ca -0.01 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1kee h ASN 97 Cb 0.29 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1kee h ASN 97 CO 0.02 0.06 0.04 0.00 -1.65 0.00 0.00 177.43 175.90 1kee h ALA 99 N 1.15 1.13 -0.01 0.00 0.00 -0.42 -1.06 119.26 120.05 1kee h ALA 99 Ca 0.17 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1kee h ALA 99 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1kee h ALA 99 CO 0.02 0.56 -0.77 -0.07 0.00 0.00 0.00 179.25 178.99 1kee h LEU 100 N 0.71 0.15 -0.08 0.00 4.07 -1.03 -1.86 115.31 117.27 1kee h LEU 100 Ca 0.14 -0.11 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1kee h LEU 100 Cb 0.44 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 1kee h LEU 100 CO 0.02 0.86 -0.02 -0.08 -1.08 0.00 0.00 178.44 178.14 1kee h GLU 101 N 0.07 0.16 -0.87 1.13 4.57 -0.96 0.26 114.58 118.95 1kee h GLU 101 Ca -0.02 -0.06 0.19 0.00 -1.18 0.00 0.00 59.36 58.29 1kee h GLU 101 Cb 1.35 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.87 1kee h GLU 101 CO 0.11 0.47 0.57 -0.07 -1.18 0.00 0.00 179.01 178.91 1kee h LEU 102 N -0.16 0.42 0.03 1.64 3.38 -1.19 0.75 115.31 120.18 1kee h LEU 102 Ca 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1kee h LEU 102 Cb 0.41 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1kee h LEU 102 CO 0.01 0.18 -0.01 -0.08 0.09 0.00 0.00 178.44 178.63 1kee h GLU 103 N 0.42 -0.04 0.00 1.13 4.57 -0.88 -0.40 114.58 119.39 1kee h GLU 103 Ca 0.44 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.66 1kee h GLU 103 Cb 1.07 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 1kee h GLU 103 CO -0.16 0.58 -0.24 -0.09 -1.18 0.00 0.00 179.01 177.91 1kee h ARG 104 N -0.70 -0.37 0.00 1.92 2.43 0.12 -1.19 114.38 116.59 1kee h ARG 104 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1kee h ARG 104 Cb 0.64 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1kee h ARG 104 CO 0.01 -0.25 0.00 1.04 -1.51 0.00 0.00 179.97 179.26 1kee n GLN 105 N -5.37 0.15 -0.93 0.20 1.13 0.25 -4.77 117.38 108.03 1kee n GLN 105 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1kee n GLN 105 Cb 0.28 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.21 1kee n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kee n GLY 106 N -0.65 0.28 0.31 1.08 0.00 -0.45 -4.86 105.19 100.90 1kee n GLY 106 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1kee n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kee h VAL 107 N 0.00 1.21 -0.37 1.61 2.07 -1.28 -0.78 116.25 118.71 1kee h VAL 107 Ca 0.00 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1kee h VAL 107 Cb 0.42 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1kee h VAL 107 CO 0.00 0.27 0.11 -0.07 0.02 0.00 0.00 177.57 177.90 1kee h LEU 108 N 0.81 0.54 0.24 2.57 3.38 -1.76 -2.76 115.31 118.33 1kee h LEU 108 Ca 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1kee h LEU 108 Cb 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1kee h LEU 108 CO -0.01 0.61 -0.24 -0.08 0.09 0.00 0.00 178.44 178.81 1kee h GLU 109 N 0.45 -0.49 -0.94 1.13 4.81 -1.79 -1.05 114.58 116.70 1kee h GLU 109 Ca 0.12 0.03 0.26 0.00 -0.13 0.00 0.00 59.36 59.64 1kee h GLU 109 Cb 0.27 0.11 -0.17 0.00 0.63 0.00 0.00 28.75 29.59 1kee h GLU 109 CO -0.00 -0.32 0.08 1.49 -0.73 0.00 0.00 179.01 179.53 1kee h GLU 110 N -0.51 0.05 -0.38 1.92 4.81 -0.95 -1.55 114.58 117.98 1kee h GLU 110 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1kee h GLU 110 Cb 0.47 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1kee h GLU 110 CO -0.05 0.04 0.00 1.19 -0.73 0.00 0.00 179.01 179.45 1kee n PHE 111 N -5.42 0.50 -3.36 0.92 3.01 -1.06 -4.99 117.46 107.07 1kee n PHE 111 Ca 0.22 -0.38 -0.18 0.00 1.01 0.00 0.00 57.45 58.12 1kee n PHE 111 Cb 0.73 -0.01 0.07 0.00 -0.01 0.00 0.00 39.48 40.26 1kee n PHE 111 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kee n GLY 112 N 0.94 -0.30 3.66 1.37 0.00 -0.50 -4.91 105.19 105.45 1kee n GLY 112 Ca 0.15 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1kee n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 113 N -3.29 5.14 -0.11 1.61 1.01 -0.58 -4.79 120.40 119.39 1kee s VAL 113 Ca 0.31 0.83 -0.17 0.00 0.00 0.00 0.00 61.98 62.95 1kee s VAL 113 Cb -0.14 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1kee s VAL 113 CO 0.63 0.20 0.43 -0.89 0.00 0.00 0.00 175.10 175.47 1kee s THR 114 N 1.56 5.19 -0.26 3.92 2.01 0.13 -4.73 115.64 123.47 1kee s THR 114 Ca 0.21 0.86 -0.27 0.00 0.31 0.00 0.00 61.69 62.80 1kee s THR 114 Cb -0.15 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1kee s THR 114 CO 0.09 0.37 0.96 -0.32 -0.69 0.00 0.00 174.62 175.03 1kee s MET 115 N 0.35 4.18 0.33 4.92 1.75 -1.26 -0.03 119.30 129.54 1kee s MET 115 Ca 0.24 1.11 0.08 0.00 -1.25 0.00 0.00 55.69 55.87 1kee s MET 115 Cb -0.15 -3.67 -0.04 0.00 2.84 0.00 0.00 34.83 33.81 1kee s MET 115 CO 0.09 -0.65 0.10 0.96 -0.65 0.00 0.00 175.02 174.88 1kee s ILE 116 N 3.15 3.00 0.00 10.11 -4.36 -0.28 -4.71 121.20 128.11 1kee s ILE 116 Ca 0.40 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 1kee s ILE 116 Cb -0.14 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.63 1kee s ILE 116 CO 0.09 -0.20 0.00 0.61 0.24 0.00 0.00 174.94 175.67 1kee n GLY 117 N -1.09 1.88 3.36 6.27 0.00 -1.26 -4.28 105.19 110.07 1kee n GLY 117 Ca -0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1kee n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 118 N -0.11 -1.17 0.29 4.61 0.00 -1.26 -3.74 121.76 120.38 1kee s ALA 118 Ca 0.00 0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.45 1kee s ALA 118 Cb 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 1kee s ALA 118 CO 0.00 -0.49 0.43 0.95 0.00 0.00 0.00 175.76 176.65 1kee s THR 119 N -2.51 4.79 0.30 0.00 -4.23 -1.26 -4.86 115.64 107.87 1kee s THR 119 Ca -0.05 -0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1kee s THR 119 Cb -0.01 -3.69 0.27 0.00 1.34 0.00 0.00 72.50 70.42 1kee s THR 119 CO -0.02 -0.29 1.94 0.00 -0.54 0.00 0.00 174.62 175.70 1kee h ALA 120 N 1.01 1.48 -0.30 3.99 0.00 -1.98 -1.39 119.26 122.07 1kee h ALA 120 Ca -0.49 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1kee h ALA 120 Cb 1.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1kee h ALA 120 CO 0.58 0.43 -0.21 0.22 0.00 0.00 0.00 179.25 180.27 1kee h ASP 121 N 1.06 0.70 -0.03 0.00 1.82 -1.97 -2.39 116.42 115.61 1kee h ASP 121 Ca 0.35 -0.44 0.03 0.00 -0.39 0.00 0.00 57.03 56.58 1kee h ASP 121 Cb 0.06 -0.20 -0.05 0.00 0.68 0.00 0.00 39.33 39.83 1kee h ASP 121 CO -0.11 0.99 -0.25 0.00 -1.61 0.00 0.00 179.24 178.26 1kee h ALA 122 N 0.73 -0.31 -0.53 -0.78 0.00 -1.66 0.31 119.26 117.01 1kee h ALA 122 Ca 0.06 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1kee h ALA 122 Cb 0.76 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 1kee h ALA 122 CO 0.06 -0.74 -0.29 0.82 0.00 0.00 0.00 179.25 179.09 1kee h ILE 123 N -0.37 0.23 -0.69 0.00 2.04 -1.16 -1.31 117.51 116.24 1kee h ILE 123 Ca 0.07 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1kee h ILE 123 Cb 0.47 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1kee h ILE 123 CO -0.25 0.00 0.25 -0.78 0.00 0.00 0.00 178.15 177.37 1kee h ASP 124 N -0.16 0.96 -0.80 1.72 1.82 -1.03 0.41 116.42 119.35 1kee h ASP 124 Ca 0.23 -0.15 0.04 0.00 -0.39 0.00 0.00 57.03 56.76 1kee h ASP 124 Cb 0.53 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 40.24 1kee h ASP 124 CO -0.63 0.87 0.50 0.50 -1.61 0.00 0.00 179.24 178.88 1kee h LYS 125 N 1.01 0.93 0.20 0.28 3.64 0.15 1.26 116.57 124.04 1kee h LYS 125 Ca 0.23 -0.06 -0.33 0.00 -1.27 0.00 0.00 60.65 59.22 1kee h LYS 125 Cb 0.23 -0.21 0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1kee h LYS 125 CO -0.02 0.62 -1.54 0.00 -2.27 0.00 0.00 179.45 176.24 1kee h ALA 126 N 1.35 0.03 -0.08 5.00 0.00 -0.95 -2.63 119.26 121.97 1kee h ALA 126 Ca 0.33 -0.98 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 1kee h ALA 126 Cb 0.06 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1kee h ALA 126 CO -0.13 0.89 -0.68 0.93 0.00 0.00 0.00 179.25 180.26 1kee h GLU 127 N 0.11 0.33 -6.42 0.00 4.39 0.16 -3.41 114.58 109.74 1kee h GLU 127 Ca -0.26 -0.26 -0.58 0.00 0.34 0.00 0.00 59.36 58.60 1kee h GLU 127 Cb 2.10 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 30.72 1kee h GLU 127 CO 0.22 0.89 0.77 0.34 -1.16 0.00 0.00 179.01 180.07 1kee s ASP 128 N -6.93 6.62 0.24 1.42 -1.08 0.43 -2.00 116.67 115.36 1kee s ASP 128 Ca -0.05 0.42 -0.04 0.00 -0.52 0.00 0.00 52.55 52.36 1kee s ASP 128 Cb 0.11 -2.51 0.42 0.00 -1.46 0.00 0.00 42.92 39.48 1kee s ASP 128 CO 0.82 -1.11 1.77 0.03 0.52 0.00 0.00 175.17 177.21 1kee h ARG 129 N 8.99 0.59 0.15 4.34 2.47 -1.85 -0.54 114.38 128.52 1kee h ARG 129 Ca -0.23 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.45 1kee h ARG 129 Cb 1.07 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 1kee h ARG 129 CO 1.07 0.39 -0.07 -0.09 0.56 0.00 0.00 179.97 181.83 1kee h ARG 130 N 0.61 -0.19 -0.77 0.04 2.43 -1.92 -1.90 114.38 112.69 1kee h ARG 130 Ca 0.40 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.62 1kee h ARG 130 Cb 0.48 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 1kee h ARG 130 CO -0.31 -0.08 0.48 0.00 -1.51 0.00 0.00 179.97 178.55 1kee h ARG 131 N -0.26 0.91 -0.45 0.20 3.08 -1.74 -1.08 114.38 115.03 1kee h ARG 131 Ca -0.02 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1kee h ARG 131 Cb 0.20 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1kee h ARG 131 CO 0.03 0.60 0.24 0.35 -1.07 0.00 0.00 179.97 180.12 1kee h PHE 132 N 0.94 0.62 -0.82 3.04 3.57 -0.71 -1.08 116.94 122.50 1kee h PHE 132 Ca 0.31 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1kee h PHE 132 Cb 0.03 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1kee h PHE 132 CO -0.04 0.48 0.53 0.22 -2.23 0.00 0.00 178.31 177.27 1kee h ASP 133 N 0.59 0.96 -0.42 0.41 1.82 -0.91 -1.28 116.42 117.59 1kee h ASP 133 Ca 0.16 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 1kee h ASP 133 Cb 0.07 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.82 1kee h ASP 133 CO -0.02 0.71 0.15 0.58 -1.61 0.00 0.00 179.24 179.04 1kee h VAL 134 N 1.12 1.21 -1.01 2.25 2.07 -0.96 -2.35 116.25 118.58 1kee h VAL 134 Ca 0.30 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1kee h VAL 134 Cb -0.11 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1kee h VAL 134 CO -0.06 0.24 0.67 0.00 0.02 0.00 0.00 177.57 178.43 1kee h ALA 135 N 1.00 1.29 -0.56 1.67 0.00 -0.56 -1.37 119.26 120.72 1kee h ALA 135 Ca 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1kee h ALA 135 Cb 0.22 -0.41 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1kee h ALA 135 CO -0.01 0.66 0.20 0.52 0.00 0.00 0.00 179.25 180.62 1kee h MET 136 N 1.36 0.86 -0.69 0.00 2.86 -0.93 -1.26 114.93 117.13 1kee h MET 136 Ca 0.37 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1kee h MET 136 Cb -0.15 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.35 1kee h MET 136 CO -0.08 0.76 0.29 -0.22 1.06 0.00 0.00 176.91 178.72 1kee h LYS 137 N 0.78 1.02 -0.99 1.72 1.63 -1.17 0.49 116.57 120.05 1kee h LYS 137 Ca 0.18 -0.18 0.09 0.00 -0.85 0.00 0.00 60.65 59.90 1kee h LYS 137 Cb 0.25 -0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 31.63 1kee h LYS 137 CO -0.01 0.84 0.63 -0.22 -3.45 0.00 0.00 179.45 177.23 1kee h LYS 138 N 0.98 1.04 -0.49 1.90 3.64 -0.54 -1.07 116.57 122.03 1kee h LYS 138 Ca 0.23 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1kee h LYS 138 Cb 0.19 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1kee h LYS 138 CO -0.02 0.69 0.00 0.44 -2.27 0.00 0.00 179.45 178.28 1kee n ILE 139 N -4.57 0.75 -2.01 2.00 -5.35 -0.54 -4.91 119.36 104.73 1kee n ILE 139 Ca 0.17 -0.57 -0.14 0.00 -0.27 0.00 0.00 62.75 61.94 1kee n ILE 139 Cb 0.26 0.09 -0.02 0.00 -1.74 0.00 0.00 39.64 38.23 1kee n ILE 139 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kee n GLY 140 N 0.91 0.28 3.92 3.28 0.00 -0.40 -5.01 105.19 108.16 1kee n GLY 140 Ca 0.13 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1kee n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kee s LEU 141 N -3.71 4.35 -0.03 0.99 1.43 0.16 -4.99 118.68 116.89 1kee s LEU 141 Ca 0.00 0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1kee s LEU 141 Cb 0.00 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.20 1kee s LEU 141 CO 0.00 0.16 0.30 -0.70 0.23 0.00 0.00 176.35 176.34 1kee s GLU 142 N -2.55 3.70 0.22 1.70 2.12 -1.26 -3.97 118.70 118.65 1kee s GLU 142 Ca 0.35 0.15 0.08 0.00 0.36 0.00 0.00 54.97 55.91 1kee s GLU 142 Cb -0.13 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1kee s GLU 142 CO 0.28 0.70 -0.15 0.95 -0.54 0.00 0.00 175.26 176.50 1kee s THR 143 N -1.13 1.85 0.55 -1.70 -4.23 -1.26 0.08 115.64 109.80 1kee s THR 143 Ca 0.23 -2.24 -0.20 0.00 -1.18 0.00 0.00 61.69 58.30 1kee s THR 143 Cb -0.14 -2.08 -0.05 0.00 1.34 0.00 0.00 72.50 71.56 1kee s THR 143 CO 0.11 -0.57 1.16 0.00 -0.54 0.00 0.00 174.62 174.79 1kee s ALA 144 N -2.90 2.69 0.08 3.99 0.00 -1.26 -4.89 121.76 119.46 1kee s ALA 144 Ca 0.24 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.77 1kee s ALA 144 Cb -0.01 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1kee s ALA 144 CO 0.08 -0.87 1.82 -2.13 0.00 0.00 0.00 175.76 174.67 1kee n ARG 145 N -1.29 2.59 -1.43 0.00 0.63 -1.26 -4.85 116.66 111.05 1kee n ARG 145 Ca 0.12 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 1kee n ARG 145 Cb 0.50 -2.82 0.00 0.00 0.45 0.00 0.00 32.46 30.59 1kee n ARG 145 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1kee n SER 146 N 5.72 0.00 -3.59 6.15 3.41 -1.26 -1.37 113.62 122.68 1kee n SER 146 Ca 0.19 -0.94 -0.09 0.00 -0.26 0.00 0.00 58.87 57.77 1kee n SER 146 Cb 0.35 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 1kee n SER 146 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1kee s GLY 147 N -0.94 -0.20 0.14 5.00 0.00 -0.37 -4.98 107.32 105.97 1kee s GLY 147 Ca 0.00 2.17 -0.11 0.00 0.00 0.00 0.00 44.72 46.79 1kee s GLY 147 CO 0.00 1.04 0.48 -0.42 0.00 0.00 0.00 173.10 174.20 1kee s ILE 148 N -1.10 4.99 0.04 0.90 -1.09 -1.26 -1.52 121.20 122.16 1kee s ILE 148 Ca 0.00 0.53 0.02 0.00 -2.23 0.00 0.00 60.65 58.97 1kee s ILE 148 Cb -0.01 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1kee s ILE 148 CO -0.00 0.17 -0.07 0.00 -1.23 0.00 0.00 174.94 173.81 1kee s ALA 149 N -1.54 0.49 0.00 9.38 0.00 -0.88 -4.81 121.76 124.40 1kee s ALA 149 Ca 0.38 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1kee s ALA 149 Cb -0.13 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1kee s ALA 149 CO 0.20 -0.03 0.08 0.72 0.00 0.00 0.00 175.76 176.72 1kee n HIS 150 N 1.59 0.00 -3.92 0.00 8.25 -1.26 -1.69 115.22 118.19 1kee n HIS 150 Ca -0.22 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.15 1kee n HIS 150 Cb 0.55 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 1kee n HIS 150 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1kee s THR 151 N -0.19 0.11 0.30 1.59 -4.23 -1.26 -4.90 115.64 107.06 1kee s THR 151 Ca 0.00 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1kee s THR 151 Cb 0.00 -1.59 0.17 0.00 1.34 0.00 0.00 72.50 72.41 1kee s THR 151 CO 0.00 -0.50 1.85 -0.03 -0.54 0.00 0.00 174.62 175.41 1kee h MET 152 N 2.68 0.76 -0.19 3.99 4.05 -1.97 0.51 114.93 124.75 1kee h MET 152 Ca -0.33 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 1kee h MET 152 Cb 1.21 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.88 1kee h MET 152 CO 0.53 0.69 0.10 1.49 0.23 0.00 0.00 176.91 179.94 1kee h GLU 153 N 0.74 0.27 -0.40 0.39 4.81 -1.99 0.05 114.58 118.45 1kee h GLU 153 Ca 0.17 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1kee h GLU 153 Cb 0.26 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1kee h GLU 153 CO -0.00 0.29 0.21 0.93 -0.73 0.00 0.00 179.01 179.71 1kee h GLU 154 N 0.19 0.57 -0.88 1.92 5.08 -1.87 -2.59 114.58 117.00 1kee h GLU 154 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1kee h GLU 154 Cb 0.10 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1kee h GLU 154 CO -0.01 0.48 0.55 0.00 -1.00 0.00 0.00 179.01 179.03 1kee h ALA 155 N 1.06 1.31 -0.48 3.43 0.00 -0.61 -2.56 119.26 121.42 1kee h ALA 155 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1kee h ALA 155 Cb 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1kee h ALA 155 CO -0.02 0.61 0.22 -0.07 0.00 0.00 0.00 179.25 179.99 1kee h LEU 156 N 1.21 0.60 -0.51 0.00 3.38 -0.61 -2.03 115.31 117.35 1kee h LEU 156 Ca 0.32 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 1kee h LEU 156 Cb -0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1kee h LEU 156 CO -0.06 0.52 -0.74 0.00 0.09 0.00 0.00 178.44 178.24 1kee h ALA 157 N 1.58 0.77 -0.35 1.53 0.00 -1.18 -0.43 119.26 121.17 1kee h ALA 157 Ca 0.17 -0.67 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1kee h ALA 157 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1kee h ALA 157 CO -0.02 0.92 -0.32 0.28 0.00 0.00 0.00 179.25 180.11 1kee h VAL 158 N 0.01 1.28 -0.16 0.00 2.07 -1.14 -2.45 116.25 115.86 1kee h VAL 158 Ca -0.01 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 1kee h VAL 158 Cb 1.32 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1kee h VAL 158 CO 0.10 0.48 0.02 0.00 0.02 0.00 0.00 177.57 178.19 1kee h ALA 159 N 0.99 0.22 -0.99 1.67 0.00 -1.22 0.76 119.26 120.69 1kee h ALA 159 Ca 0.07 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.04 1kee h ALA 159 Cb 0.85 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1kee h ALA 159 CO 0.07 -0.10 0.65 0.00 0.00 0.00 0.00 179.25 179.87 1kee h ALA 160 N 0.80 2.24 0.15 0.00 0.00 -0.90 0.56 119.26 122.11 1kee h ALA 160 Ca 0.05 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1kee h ALA 160 Cb 0.33 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1kee h ALA 160 CO 0.01 -0.59 -0.92 0.22 0.00 0.00 0.00 179.25 177.97 1kee h ASP 161 N 0.40 0.48 0.79 0.00 -0.00 -0.95 -3.38 116.42 113.76 1kee h ASP 161 Ca 0.54 -0.94 -0.21 0.00 -0.00 0.00 0.00 57.03 56.42 1kee h ASP 161 Cb 1.38 -0.16 -0.04 0.00 -0.00 0.00 0.00 39.33 40.51 1kee h ASP 161 CO -0.23 1.44 -1.31 -0.37 -0.00 0.00 0.00 179.24 178.76 1kee h VAL 162 N -0.33 0.92 -0.42 2.25 -1.51 0.00 -3.51 116.25 113.65 1kee h VAL 162 Ca -0.17 -2.58 0.05 0.00 -1.23 0.00 0.00 66.70 62.78 1kee h VAL 162 Cb 1.69 2.39 -0.01 0.00 -2.13 0.00 0.00 31.29 33.23 1kee h VAL 162 CO 0.15 0.53 -0.09 0.61 -1.23 0.00 0.00 177.57 177.54 1kee n GLY 163 N 1.42 -1.61 3.89 5.19 0.00 0.19 -4.81 105.19 109.46 1kee n GLY 163 Ca -0.09 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 1kee n GLY 163 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kee s PHE 164 N -1.54 3.56 0.56 1.61 2.99 -1.26 -3.58 117.98 120.31 1kee s PHE 164 Ca 0.00 0.49 -0.08 0.00 0.00 0.00 0.00 56.93 57.34 1kee s PHE 164 Cb 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 43.02 41.06 1kee s PHE 164 CO 0.00 0.61 0.92 -1.25 -0.00 0.00 0.00 175.22 175.50 1kee s PRO 165 N -1.90 3.48 0.10 0.24 0.04 -1.26 -5.02 135.00 130.68 1kee s PRO 165 Ca 0.28 0.44 0.03 0.00 0.04 0.00 0.00 61.00 61.79 1kee s PRO 165 Cb -0.13 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1kee s PRO 165 CO 0.18 -0.44 -0.09 0.00 0.04 0.00 0.00 177.00 176.68 1kee s ILE 167 N -2.73 4.99 -0.23 0.00 1.09 0.22 -1.08 121.20 123.46 1kee s ILE 167 Ca 0.07 0.05 -0.07 0.00 -1.10 0.00 0.00 60.65 59.59 1kee s ILE 167 Cb -0.01 -3.31 -0.03 0.00 -1.06 0.00 0.00 42.46 38.05 1kee s ILE 167 CO -0.01 0.37 0.07 -0.63 -0.10 0.00 0.00 174.94 174.64 1kee s ILE 168 N 0.99 4.47 -0.24 2.92 1.01 -0.44 -0.63 121.20 129.28 1kee s ILE 168 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 1kee s ILE 168 Cb -0.14 -3.07 0.08 0.00 0.01 0.00 0.00 42.46 39.34 1kee s ILE 168 CO 0.03 0.37 0.06 -0.13 0.00 0.00 0.00 174.94 175.28 1kee s ARG 169 N 1.27 0.61 0.70 2.79 0.52 0.65 -2.89 118.95 122.61 1kee s ARG 169 Ca 0.05 -0.61 -0.15 0.00 -0.52 0.00 0.00 55.73 54.50 1kee s ARG 169 Cb -0.15 -1.97 0.02 0.00 0.52 0.00 0.00 34.95 33.38 1kee s ARG 169 CO 0.04 -0.78 1.19 -1.25 0.02 0.00 0.00 175.30 174.51 1kee s PRO 170 N 1.82 2.34 0.14 3.54 0.05 -1.26 -1.45 135.00 140.18 1kee s PRO 170 Ca 0.03 1.69 -0.22 0.00 0.05 0.00 0.00 61.00 62.55 1kee s PRO 170 Cb -0.17 -1.86 -0.07 0.00 0.05 0.00 0.00 34.50 32.44 1kee s PRO 170 CO -0.16 -1.66 0.68 -1.12 0.05 0.00 0.00 177.00 174.79 1kee s SER 171 N -2.10 7.21 -0.53 6.66 0.01 0.15 -4.03 113.70 121.06 1kee s SER 171 Ca 0.73 1.45 -0.00 0.00 1.31 0.00 0.00 55.95 59.44 1kee s SER 171 Cb -0.28 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1kee s SER 171 CO 0.43 0.21 0.01 0.49 0.41 0.00 0.00 173.24 174.80 1kee n PHE 172 N 1.51 -0.31 -4.22 2.43 3.01 -0.85 -3.90 117.46 115.12 1kee n PHE 172 Ca -0.07 0.01 -0.13 0.00 1.01 0.00 0.00 57.45 58.27 1kee n PHE 172 Cb 0.50 -1.90 -0.10 0.00 -0.01 0.00 0.00 39.48 37.97 1kee n PHE 172 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1kee s THR 173 N -2.34 0.40 0.29 4.37 -4.23 -1.26 -4.45 115.64 108.43 1kee s THR 173 Ca 0.01 -1.96 -0.08 0.00 -1.18 0.00 0.00 61.69 58.47 1kee s THR 173 Cb -0.00 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1kee s THR 173 CO 0.01 -0.34 0.48 0.00 -0.54 0.00 0.00 174.62 174.23 1kee s MET 174 N -4.00 1.71 -1.71 3.99 0.23 -1.26 -4.87 119.30 113.38 1kee s MET 174 Ca 0.28 -1.48 0.00 0.00 -1.03 0.00 0.00 55.69 53.46 1kee s MET 174 Cb 0.07 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.83 1kee s MET 174 CO 0.06 -0.71 0.00 0.41 -2.03 0.00 0.00 175.02 172.75 1kee n GLY 175 N -0.45 1.59 2.44 3.16 0.00 -1.26 -1.05 105.19 109.62 1kee n GLY 175 Ca -0.01 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1kee n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 176 N -0.58 1.35 3.64 -0.02 0.00 -1.26 -0.73 105.19 107.59 1kee n GLY 176 Ca -0.16 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1kee n GLY 176 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kee s SER 177 N -2.75 6.16 0.00 1.61 0.01 -0.22 -1.26 113.70 117.25 1kee s SER 177 Ca 0.00 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.72 1kee s SER 177 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1kee s SER 177 CO 0.00 -1.32 0.00 0.61 0.41 0.00 0.00 173.24 172.94 1kee n GLY 178 N 4.90 0.74 0.23 3.44 0.00 -1.26 -4.67 105.19 108.58 1kee n GLY 178 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 1kee n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 179 N -2.33 3.75 0.00 -0.02 0.00 -0.39 -3.02 105.19 103.18 1kee n GLY 179 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1kee n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 180 N 4.60 -2.25 3.48 -0.02 0.00 -1.14 -4.52 105.19 105.34 1kee n GLY 180 Ca -0.01 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 1kee n GLY 180 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kee s ILE 181 N -2.44 4.04 -0.33 -0.61 1.01 -1.26 -1.33 121.20 120.28 1kee s ILE 181 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 1kee s ILE 181 Cb 0.00 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.66 1kee s ILE 181 CO 0.00 0.44 0.17 0.00 0.00 0.00 0.00 174.94 175.55 1kee s ALA 182 N 0.83 3.26 -0.79 9.38 0.00 -0.24 -4.91 121.76 129.29 1kee s ALA 182 Ca 0.01 -1.50 0.24 0.00 0.00 0.00 0.00 51.96 50.71 1kee s ALA 182 Cb -0.14 -2.43 0.27 0.00 0.00 0.00 0.00 23.12 20.81 1kee s ALA 182 CO 0.02 -1.06 1.23 0.66 0.00 0.00 0.00 175.76 176.61 1kee n TYR 183 N 4.98 0.21 -3.83 0.00 4.01 -1.26 -1.22 117.16 120.05 1kee n TYR 183 Ca -0.13 0.06 -0.08 0.00 -0.16 0.00 0.00 57.90 57.58 1kee n TYR 183 Cb 0.48 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1kee n TYR 183 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1kee s ASN 184 N -3.57 -0.24 0.32 7.72 2.20 -1.26 -4.77 114.94 115.34 1kee s ASN 184 Ca 0.07 -0.60 0.01 0.00 -0.94 0.00 0.00 52.86 51.40 1kee s ASN 184 Cb 0.15 0.65 0.56 0.00 -2.00 0.00 0.00 41.25 40.61 1kee s ASN 184 CO 0.75 -1.20 1.97 -0.09 -2.94 0.00 0.00 177.10 175.59 1kee h ARG 185 N 2.11 0.95 0.84 3.55 2.43 -1.97 0.35 114.38 122.64 1kee h ARG 185 Ca -0.24 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.83 1kee h ARG 185 Cb 1.26 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1kee h ARG 185 CO 0.30 0.63 -0.41 1.49 -1.51 0.00 0.00 179.97 180.48 1kee h GLU 186 N 0.98 -1.09 -0.81 0.20 4.81 -2.00 -0.54 114.58 116.13 1kee h GLU 186 Ca 0.30 0.07 0.17 0.00 -0.13 0.00 0.00 59.36 59.78 1kee h GLU 186 Cb 0.00 0.25 -0.11 0.00 0.63 0.00 0.00 28.75 29.52 1kee h GLU 186 CO -0.08 -0.73 0.32 0.93 -0.73 0.00 0.00 179.01 178.71 1kee h GLU 187 N -1.18 0.40 -0.47 1.92 5.08 -1.92 -1.67 114.58 116.75 1kee h GLU 187 Ca -0.12 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1kee h GLU 187 Cb 0.87 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1kee h GLU 187 CO 0.19 0.26 0.16 0.35 -1.00 0.00 0.00 179.01 178.97 1kee h PHE 188 N 0.41 0.28 -0.46 4.33 3.04 -0.02 -2.00 116.94 122.51 1kee h PHE 188 Ca 0.47 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 62.31 1kee h PHE 188 Cb 0.79 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1kee h PHE 188 CO -0.17 0.09 -0.24 0.93 -2.02 0.00 0.00 178.31 176.90 1kee h GLU 189 N 0.33 0.97 0.30 1.11 5.08 -0.15 -1.86 114.58 120.36 1kee h GLU 189 Ca 0.22 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1kee h GLU 189 Cb 0.23 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1kee h GLU 189 CO -0.23 1.10 -0.38 1.49 -1.00 0.00 0.00 179.01 179.98 1kee h GLU 190 N 0.83 -0.70 -0.13 2.33 4.81 -1.22 0.67 114.58 121.17 1kee h GLU 190 Ca 0.10 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1kee h GLU 190 Cb 0.82 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1kee h GLU 190 CO 0.07 -0.47 0.00 0.82 -0.73 0.00 0.00 179.01 178.70 1kee h ILE 191 N -0.73 0.92 -0.62 2.32 2.04 -1.39 -1.74 117.51 118.30 1kee h ILE 191 Ca -0.01 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1kee h ILE 191 Cb 0.68 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1kee h ILE 191 CO -0.11 0.01 0.41 0.00 0.00 0.00 0.00 178.15 178.46 1kee h ALA 193 N 1.23 0.58 0.06 0.00 0.00 -0.62 -1.12 119.26 119.39 1kee h ALA 193 Ca 0.23 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1kee h ALA 193 Cb -0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1kee h ALA 193 CO -0.05 0.06 -0.19 -0.09 0.00 0.00 0.00 179.25 178.98 1kee h ARG 194 N 0.62 -0.33 -0.02 0.00 2.43 -0.83 -2.48 114.38 113.77 1kee h ARG 194 Ca 0.17 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1kee h ARG 194 Cb -0.04 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1kee h ARG 194 CO -0.03 -0.22 -0.38 0.78 -1.51 0.00 0.00 179.97 178.61 1kee h GLY 195 N -0.34 0.04 0.97 2.80 0.00 -0.77 -0.82 103.07 104.95 1kee h GLY 195 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1kee h GLY 195 CO -0.14 0.03 0.12 1.41 0.00 0.00 0.00 176.54 177.96 1kee h LEU 196 N 0.04 0.72 -0.37 3.11 3.38 -1.03 0.70 115.31 121.85 1kee h LEU 196 Ca 0.00 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1kee h LEU 196 Cb 0.69 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1kee h LEU 196 CO 0.05 0.76 -0.08 -0.78 0.09 0.00 0.00 178.44 178.48 1kee h ASP 197 N 0.64 0.71 -0.19 -0.43 3.58 -1.25 -3.17 116.42 116.30 1kee h ASP 197 Ca 0.15 -0.36 -0.17 0.00 0.42 0.00 0.00 57.03 57.07 1kee h ASP 197 Cb 0.32 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 1kee h ASP 197 CO 0.00 0.91 -0.49 0.25 -2.88 0.00 0.00 179.24 177.03 1kee h LEU 198 N 0.50 0.83 -9.26 2.28 5.85 -0.92 -3.44 115.31 111.15 1kee h LEU 198 Ca 0.09 -0.42 -0.65 0.00 0.84 0.00 0.00 57.88 57.74 1kee h LEU 198 Cb 0.59 -0.24 0.02 0.00 0.37 0.00 0.00 40.66 41.41 1kee h LEU 198 CO 0.04 1.18 0.99 -0.24 -0.34 0.00 0.00 178.44 180.07 1kee n SER 199 N -4.01 3.04 0.29 1.25 2.88 0.24 -4.83 113.62 112.48 1kee n SER 199 Ca -0.03 1.02 0.15 0.00 -1.33 0.00 0.00 58.87 58.67 1kee n SER 199 Cb 0.59 -1.30 0.90 0.00 -0.75 0.00 0.00 64.21 63.65 1kee n SER 199 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1kee h PRO 200 N 8.16 0.00 -0.40 -1.46 0.11 -1.78 -0.92 132.00 135.72 1kee h PRO 200 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1kee h PRO 200 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1kee h PRO 200 CO 0.94 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.98 1kee n THR 201 N -3.88 1.00 -3.69 -1.15 -2.24 -1.26 -4.99 114.28 98.07 1kee n THR 201 Ca -0.03 -1.00 -0.32 0.00 -2.27 0.00 0.00 64.05 60.43 1kee n THR 201 Cb 0.09 0.50 0.04 0.00 -2.10 0.00 0.00 70.33 68.87 1kee n THR 201 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1kee n LYS 202 N 0.66 -1.22 -3.68 -0.78 4.81 -0.35 -4.98 118.16 112.62 1kee n LYS 202 Ca 0.13 0.45 -0.10 0.00 -0.87 0.00 0.00 58.31 57.92 1kee n LYS 202 Cb 0.45 -4.09 -0.10 0.00 0.02 0.00 0.00 35.03 31.31 1kee n LYS 202 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1kee s GLU 203 N -6.01 0.49 0.25 1.64 2.12 -1.26 -4.61 118.70 111.31 1kee s GLU 203 Ca 0.47 0.88 0.09 0.00 0.36 0.00 0.00 54.97 56.77 1kee s GLU 203 Cb -0.17 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.23 1kee s GLU 203 CO 0.86 -0.14 0.04 -0.51 -0.54 0.00 0.00 175.26 174.97 1kee s LEU 204 N 1.29 3.34 -0.13 2.70 1.43 -0.68 0.32 118.68 126.95 1kee s LEU 204 Ca -0.08 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1kee s LEU 204 Cb -0.07 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1kee s LEU 204 CO -0.13 0.01 -0.10 -0.22 0.23 0.00 0.00 176.35 176.14 1kee s LEU 205 N -3.61 1.38 -0.19 1.79 2.96 -0.53 -2.07 118.68 118.42 1kee s LEU 205 Ca 0.31 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1kee s LEU 205 Cb -0.07 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 1kee s LEU 205 CO 0.21 -0.09 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.48 1kee s ILE 206 N 1.60 3.64 0.20 6.68 1.01 -0.58 -0.25 121.20 133.50 1kee s ILE 206 Ca 0.04 -0.43 0.10 0.00 0.00 0.00 0.00 60.65 60.37 1kee s ILE 206 Cb -0.13 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1kee s ILE 206 CO -0.09 0.45 -0.20 -1.81 0.00 0.00 0.00 174.94 173.29 1kee s ASP 207 N 0.92 3.15 0.77 3.58 1.01 0.20 -1.24 116.67 125.05 1kee s ASP 207 Ca -0.00 -0.91 -0.11 0.00 0.71 0.00 0.00 52.55 52.23 1kee s ASP 207 Cb -0.15 -0.22 0.05 0.00 1.01 0.00 0.00 42.92 43.62 1kee s ASP 207 CO 0.01 0.03 1.09 -1.83 0.21 0.00 0.00 175.17 174.67 1kee s GLU 208 N -2.98 2.30 0.10 8.23 -1.05 -0.47 -0.61 118.70 124.23 1kee s GLU 208 Ca 0.21 0.77 -0.30 0.00 -0.15 0.00 0.00 54.97 55.50 1kee s GLU 208 Cb -0.06 -1.93 -0.06 0.00 -0.44 0.00 0.00 34.13 31.64 1kee s GLU 208 CO 0.10 -1.50 0.96 0.45 0.95 0.00 0.00 175.26 176.22 1kee s SER 209 N -3.82 7.49 -0.09 0.83 0.15 -1.22 -4.58 113.70 112.45 1kee s SER 209 Ca 0.60 1.79 0.12 0.00 0.70 0.00 0.00 55.95 59.16 1kee s SER 209 Cb -0.15 -2.59 0.19 0.00 -1.71 0.00 0.00 66.02 61.77 1kee s SER 209 CO 0.55 -0.08 1.08 0.18 1.20 0.00 0.00 173.24 176.16 1kee n LEU 210 N 2.87 1.79 -4.67 3.45 4.77 -1.26 -5.06 117.00 118.88 1kee n LEU 210 Ca 0.03 -2.46 -0.49 0.00 -0.03 0.00 0.00 56.01 53.06 1kee n LEU 210 Cb 0.49 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1kee n LEU 210 CO 0.51 0.57 1.30 -0.38 -1.33 0.00 0.00 177.39 178.07 1kee n ILE 211 N -1.01 0.28 0.00 -0.08 5.41 -1.26 -1.13 119.36 121.57 1kee n ILE 211 Ca 0.10 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1kee n ILE 211 Cb 0.60 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 1kee n ILE 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1kee n GLY 212 N 3.83 2.24 3.71 7.39 0.00 -0.97 -4.97 105.19 116.42 1kee n GLY 212 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1kee n GLY 212 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1kee s TRP 213 N -2.53 2.29 0.42 1.61 0.52 -0.28 -4.66 118.94 116.31 1kee s TRP 213 Ca 0.00 1.17 -0.24 0.00 0.02 0.00 0.00 56.10 57.05 1kee s TRP 213 Cb 0.00 -3.19 -0.08 0.00 -1.15 0.00 0.00 33.47 29.04 1kee s TRP 213 CO 0.00 -2.49 1.09 0.15 0.02 0.00 0.00 176.95 175.72 1kee s LYS 214 N -4.96 4.03 -0.11 4.98 1.02 0.14 -1.14 119.74 123.71 1kee s LYS 214 Ca 0.64 1.61 0.02 0.00 0.02 0.00 0.00 55.97 58.25 1kee s LYS 214 Cb -0.18 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1kee s LYS 214 CO 0.57 -0.28 -0.16 -2.00 -0.92 0.00 0.00 175.35 172.56 1kee s GLU 215 N -2.55 3.12 0.06 1.68 2.12 -1.26 -0.98 118.70 120.88 1kee s GLU 215 Ca 0.60 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 55.22 1kee s GLU 215 Cb -0.24 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 1kee s GLU 215 CO 0.30 0.29 -0.09 0.71 -0.54 0.00 0.00 175.26 175.94 1kee s TYR 216 N 0.12 0.84 0.01 5.30 2.02 -0.79 -0.75 117.35 124.09 1kee s TYR 216 Ca -0.08 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.06 1kee s TYR 216 Cb -0.15 -0.48 -0.01 0.00 -0.40 0.00 0.00 41.96 40.91 1kee s TYR 216 CO 0.05 -0.06 -0.06 -1.21 -1.57 0.00 0.00 175.55 172.70 1kee s GLU 217 N -2.13 0.44 -0.05 -0.62 2.02 -0.35 -1.24 118.70 116.76 1kee s GLU 217 Ca -0.03 -0.41 0.03 0.00 0.02 0.00 0.00 54.97 54.58 1kee s GLU 217 Cb -0.07 -0.32 0.00 0.00 0.10 0.00 0.00 34.13 33.84 1kee s GLU 217 CO -0.00 0.08 -0.14 -1.64 0.02 0.00 0.00 175.26 173.57 1kee s MET 218 N -0.73 1.66 -0.31 1.61 -1.94 -0.49 -0.13 119.30 118.97 1kee s MET 218 Ca -0.03 -0.49 -0.12 0.00 -1.71 0.00 0.00 55.69 53.33 1kee s MET 218 Cb -0.05 -1.41 -0.03 0.00 2.01 0.00 0.00 34.83 35.34 1kee s MET 218 CO 0.00 0.14 0.23 -1.21 -0.01 0.00 0.00 175.02 174.17 1kee s GLU 219 N 0.32 3.69 0.12 2.03 0.41 -0.33 -1.50 118.70 123.44 1kee s GLU 219 Ca -0.08 -0.49 0.10 0.00 -0.41 0.00 0.00 54.97 54.08 1kee s GLU 219 Cb -0.13 -3.75 -0.04 0.00 -1.78 0.00 0.00 34.13 28.44 1kee s GLU 219 CO 0.03 -0.34 -0.22 0.08 -0.49 0.00 0.00 175.26 174.32 1kee s VAL 220 N 1.76 2.62 -0.05 2.63 1.01 0.10 -0.10 120.40 128.36 1kee s VAL 220 Ca 0.07 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 60.48 1kee s VAL 220 Cb -0.17 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1kee s VAL 220 CO 0.11 0.10 -0.10 -0.69 0.00 0.00 0.00 175.10 174.52 1kee s VAL 221 N -1.10 0.96 -0.01 2.92 1.01 -0.72 0.08 120.40 123.53 1kee s VAL 221 Ca 0.16 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1kee s VAL 221 Cb -0.10 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 1kee s VAL 221 CO 0.08 0.31 -0.09 -0.60 0.00 0.00 0.00 175.10 174.80 1kee s ARG 222 N 0.56 0.79 0.44 2.72 3.52 0.70 -1.42 118.95 126.26 1kee s ARG 222 Ca -0.11 -0.32 0.08 0.00 -0.13 0.00 0.00 55.73 55.25 1kee s ARG 222 Cb -0.14 -0.76 -0.00 0.00 -1.56 0.00 0.00 34.95 32.49 1kee s ARG 222 CO 0.02 0.18 0.45 0.16 -0.81 0.00 0.00 175.30 175.30 1kee s ASP 223 N -0.12 5.16 0.54 -2.12 1.47 -0.32 -1.76 116.67 119.53 1kee s ASP 223 Ca 0.02 -0.72 0.28 0.00 1.18 0.00 0.00 52.55 53.31 1kee s ASP 223 Cb -0.05 -0.46 1.55 0.00 -0.34 0.00 0.00 42.92 43.63 1kee s ASP 223 CO -0.00 -0.76 2.12 0.07 0.68 0.00 0.00 175.17 177.28 1kee h LYS 224 N 0.86 0.00 0.00 2.11 2.10 -1.76 -0.32 116.57 119.56 1kee h LYS 224 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1kee h LYS 224 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1kee h LYS 224 CO 0.53 0.09 0.00 0.09 -2.00 0.00 0.00 179.45 178.16 1kee n ASN 225 N -3.69 0.00 -0.32 7.07 3.02 -1.26 -4.86 115.26 115.22 1kee n ASN 225 Ca -0.02 -1.43 -0.04 0.00 -0.03 0.00 0.00 54.58 53.05 1kee n ASN 225 Cb 0.20 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 1kee n ASN 225 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1kee n ASP 226 N -0.76 -3.73 -4.77 6.41 4.64 -0.13 -5.01 116.55 113.20 1kee n ASP 226 Ca 0.12 0.10 -0.38 0.00 -1.38 0.00 0.00 54.79 53.25 1kee n ASP 226 Cb 0.06 -1.60 -0.04 0.00 -1.04 0.00 0.00 41.12 38.50 1kee n ASP 226 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 1kee s ASN 227 N -2.68 6.95 -0.02 1.67 0.01 -1.25 -4.82 114.94 114.80 1kee s ASN 227 Ca 0.00 2.19 -0.01 0.00 -0.71 0.00 0.00 52.86 54.33 1kee s ASN 227 Cb 0.00 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.07 1kee s ASN 227 CO 0.00 -0.36 0.05 0.00 -1.51 0.00 0.00 177.10 175.28 1kee s ILE 229 N 0.72 0.73 -0.41 0.00 -4.36 -0.51 -5.01 121.20 112.36 1kee s ILE 229 Ca -0.06 -1.62 -0.15 0.00 -0.26 0.00 0.00 60.65 58.56 1kee s ILE 229 Cb -0.08 -1.31 0.02 0.00 1.25 0.00 0.00 42.46 42.34 1kee s ILE 229 CO -0.02 -0.65 0.31 -0.63 0.24 0.00 0.00 174.94 174.19 1kee s ILE 230 N -2.68 5.24 0.07 8.37 -1.09 -1.26 -1.76 121.20 128.09 1kee s ILE 230 Ca 0.04 -0.60 -0.09 0.00 -2.23 0.00 0.00 60.65 57.77 1kee s ILE 230 Cb -0.01 -3.93 -0.28 0.00 -1.58 0.00 0.00 42.46 36.65 1kee s ILE 230 CO -0.02 -0.31 1.13 0.58 -1.23 0.00 0.00 174.94 175.09 1kee h VAL 231 N 5.64 1.40 -1.84 2.92 2.07 -0.85 -3.37 116.25 122.22 1kee h VAL 231 Ca -0.27 -2.77 -0.01 0.00 0.82 0.00 0.00 66.70 64.47 1kee h VAL 231 Cb 1.12 2.83 -0.21 0.00 -1.52 0.00 0.00 31.29 33.51 1kee h VAL 231 CO 0.73 0.82 0.31 0.00 0.02 0.00 0.00 177.57 179.46 1kee s SER 233 N -0.97 3.66 -0.08 0.00 1.04 -1.26 -1.19 113.70 114.90 1kee s SER 233 Ca -0.06 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 55.95 1kee s SER 233 Cb -0.01 -0.56 0.02 0.00 0.10 0.00 0.00 66.02 65.57 1kee s SER 233 CO 0.06 0.27 -0.11 -0.63 0.98 0.00 0.00 173.24 173.81 1kee s ILE 234 N -0.86 1.12 -0.22 -1.02 1.01 0.82 -3.31 121.20 118.74 1kee s ILE 234 Ca 0.13 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 1kee s ILE 234 Cb -0.10 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1kee s ILE 234 CO 0.04 0.36 0.07 -0.70 0.00 0.00 0.00 174.94 174.70 1kee s GLU 235 N 0.87 3.80 0.27 2.79 2.12 -0.33 -1.21 118.70 127.01 1kee s GLU 235 Ca -0.11 -0.42 -0.29 0.00 0.36 0.00 0.00 54.97 54.52 1kee s GLU 235 Cb -0.15 -3.29 -0.09 0.00 0.26 0.00 0.00 34.13 30.86 1kee s GLU 235 CO 0.01 0.01 0.98 -0.80 -0.54 0.00 0.00 175.26 174.93 1kee s ASN 236 N 1.08 7.48 -0.08 -1.70 0.02 0.07 -1.75 114.94 120.07 1kee s ASN 236 Ca 0.04 2.01 -0.27 0.00 -1.02 0.00 0.00 52.86 53.63 1kee s ASN 236 Cb -0.14 -2.61 -0.23 0.00 0.02 0.00 0.00 41.25 38.29 1kee s ASN 236 CO 0.03 0.03 1.03 0.15 0.02 0.00 0.00 177.10 178.36 1kee h PHE 237 N 3.88 0.03 -3.46 2.20 3.57 -0.51 -3.43 116.94 119.21 1kee h PHE 237 Ca -0.46 -0.02 -0.52 0.00 3.53 0.00 0.00 57.97 60.50 1kee h PHE 237 Cb 1.20 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1kee h PHE 237 CO 0.60 0.76 0.48 -0.51 -2.23 0.00 0.00 178.31 177.41 1kee s ASP 238 N -5.99 7.25 1.10 0.41 1.01 -1.22 -4.49 116.67 114.75 1kee s ASP 238 Ca -0.17 2.01 -0.19 0.00 0.71 0.00 0.00 52.55 54.91 1kee s ASP 238 Cb -0.00 -2.59 0.26 0.00 1.01 0.00 0.00 42.92 41.59 1kee s ASP 238 CO 0.69 -0.27 1.26 0.00 0.21 0.00 0.00 175.17 177.06 1kee s ALA 239 N 0.19 1.47 0.46 5.23 0.00 -1.26 -4.71 121.76 123.14 1kee s ALA 239 Ca 0.52 -1.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.01 1kee s ALA 239 Cb -0.28 -2.77 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 1kee s ALA 239 CO 0.32 -3.09 1.08 -1.33 0.00 0.00 0.00 175.76 172.74 1kee n MET 240 N -4.30 1.44 0.00 0.00 2.81 -0.29 -2.89 117.12 113.89 1kee n MET 240 Ca 0.16 0.52 0.00 0.00 -1.81 0.00 0.00 57.70 56.57 1kee n MET 240 Cb 0.59 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 1kee n MET 240 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kee n GLY 241 N 1.09 1.28 3.18 3.03 0.00 -1.26 -2.30 105.19 110.21 1kee n GLY 241 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1kee n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kee s ILE 242 N -1.58 2.85 0.20 -0.61 1.01 -1.14 -3.17 121.20 118.76 1kee s ILE 242 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 1kee s ILE 242 Cb 0.00 -2.50 -0.16 0.00 0.01 0.00 0.00 42.46 39.80 1kee s ILE 242 CO 0.00 0.12 0.78 1.57 0.00 0.00 0.00 174.94 177.41 1kee n HIS 243 N 4.64 0.31 -0.36 3.97 -0.00 0.15 -4.71 115.22 119.22 1kee n HIS 243 Ca -0.16 0.87 0.26 0.00 -0.00 0.00 0.00 57.72 58.70 1kee n HIS 243 Cb 0.46 -2.09 0.53 0.00 -0.00 0.00 0.00 29.99 28.89 1kee n HIS 243 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1kee h THR 244 N 1.67 0.38 0.00 3.57 1.35 -1.93 0.11 112.91 118.06 1kee h THR 244 Ca -0.35 -0.11 -0.05 0.00 -0.55 0.00 0.00 66.41 65.35 1kee h THR 244 Cb 1.40 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1kee h THR 244 CO 0.60 0.06 -0.22 1.23 -0.25 0.00 0.00 175.52 176.94 1kee h GLY 245 N 0.32 0.00 -2.25 5.82 0.00 -1.98 -2.79 103.07 102.19 1kee h GLY 245 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1kee h GLY 245 CO -0.40 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.36 1kee n ASP 246 N -3.36 3.57 -4.87 0.19 10.43 0.31 -4.75 116.55 118.08 1kee n ASP 246 Ca 0.00 -1.98 -0.24 0.00 2.57 0.00 0.00 54.79 55.15 1kee n ASP 246 Cb 0.44 -0.37 -0.04 0.00 1.84 0.00 0.00 41.12 42.99 1kee n ASP 246 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1kee s SER 247 N -1.09 5.82 -0.02 -2.24 0.01 -0.75 -4.84 113.70 110.58 1kee s SER 247 Ca 0.40 -0.08 -0.25 0.00 1.31 0.00 0.00 55.95 57.33 1kee s SER 247 Cb 0.21 -1.59 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 1kee s SER 247 CO 0.28 0.00 0.77 -0.63 0.41 0.00 0.00 173.24 174.08 1kee s ILE 248 N -1.92 4.93 0.09 1.44 1.01 -1.26 -4.28 121.20 121.20 1kee s ILE 248 Ca 0.33 1.61 0.02 0.00 0.00 0.00 0.00 60.65 62.61 1kee s ILE 248 Cb -0.09 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1kee s ILE 248 CO 0.26 0.27 -0.07 0.42 0.00 0.00 0.00 174.94 175.81 1kee s THR 249 N 0.60 0.71 0.07 2.92 -4.23 -0.67 0.28 115.64 115.32 1kee s THR 249 Ca 0.40 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 1kee s THR 249 Cb -0.19 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 1kee s THR 249 CO 0.21 -0.74 -0.05 0.68 -0.54 0.00 0.00 174.62 174.17 1kee s VAL 250 N -3.07 0.48 -0.01 2.29 -7.23 -0.72 -0.32 120.40 111.82 1kee s VAL 250 Ca 0.07 -1.66 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1kee s VAL 250 Cb 0.01 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 1kee s VAL 250 CO -0.03 -0.79 -0.13 0.00 -0.31 0.00 0.00 175.10 173.84 1kee s ALA 251 N -3.13 1.05 0.74 1.32 0.00 -0.03 -1.18 121.76 120.53 1kee s ALA 251 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1kee s ALA 251 Cb 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1kee s ALA 251 CO -0.05 0.26 0.00 -0.35 0.00 0.00 0.00 175.76 175.62 1kee n PRO 252 N 2.78 0.66 -1.66 0.00 -0.04 -1.26 -1.13 135.00 134.35 1kee n PRO 252 Ca -0.14 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.96 1kee n PRO 252 Cb 0.56 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.09 1kee n PRO 252 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kee s ALA 253 N -3.48 2.29 -0.02 0.55 0.00 -1.21 -4.38 121.76 115.50 1kee s ALA 253 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1kee s ALA 253 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1kee s ALA 253 CO 0.00 -1.63 -0.01 1.04 0.00 0.00 0.00 175.76 175.15 1kee n GLN 254 N -2.22 1.09 -0.97 0.00 1.13 -1.26 -4.86 117.38 110.30 1kee n GLN 254 Ca 0.14 0.01 -0.11 0.00 -1.94 0.00 0.00 57.00 55.10 1kee n GLN 254 Cb 0.49 -1.05 0.19 0.00 0.11 0.00 0.00 30.24 29.99 1kee n GLN 254 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1kee n THR 255 N -2.43 2.77 -4.56 5.09 -2.24 -1.26 -4.97 114.28 106.68 1kee n THR 255 Ca -0.04 -2.54 -0.33 0.00 -2.27 0.00 0.00 64.05 58.87 1kee n THR 255 Cb 0.55 -0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 68.28 1kee n THR 255 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kee s LEU 256 N -3.29 3.17 0.65 3.22 1.43 -1.26 -5.11 118.68 117.50 1kee s LEU 256 Ca 0.49 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1kee s LEU 256 Cb 0.43 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 1kee s LEU 256 CO 0.03 0.33 1.04 0.42 0.23 0.00 0.00 176.35 178.40 1kee s THR 257 N -0.89 4.42 0.36 5.49 -4.23 -1.26 -4.79 115.64 114.74 1kee s THR 257 Ca 0.14 0.79 0.08 0.00 -1.18 0.00 0.00 61.69 61.52 1kee s THR 257 Cb -0.11 -3.70 0.31 0.00 1.34 0.00 0.00 72.50 70.34 1kee s THR 257 CO 0.04 -1.03 1.92 -0.78 -0.54 0.00 0.00 174.62 174.23 1kee h ASP 258 N -0.47 0.65 -0.74 3.99 3.58 -1.99 0.17 116.42 121.61 1kee h ASP 258 Ca -0.44 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.04 1kee h ASP 258 Cb 1.20 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.10 1kee h ASP 258 CO 0.60 0.38 0.48 0.11 -2.88 0.00 0.00 179.24 177.94 1kee h LYS 259 N 0.72 0.97 -0.12 0.28 1.57 -2.01 -1.29 116.57 116.70 1kee h LYS 259 Ca 0.38 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.92 1kee h LYS 259 Cb 0.49 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1kee h LYS 259 CO -0.15 0.65 -0.65 0.93 -0.57 0.00 0.00 179.45 179.66 1kee h GLU 260 N 1.00 0.45 -0.68 3.15 5.08 -1.21 -2.87 114.58 119.50 1kee h GLU 260 Ca 0.27 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1kee h GLU 260 Cb -0.11 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1kee h GLU 260 CO -0.06 0.95 0.39 -0.92 -1.00 0.00 0.00 179.01 178.37 1kee h TYR 261 N 0.33 0.92 -0.55 4.33 5.03 -0.42 -1.81 116.97 124.80 1kee h TYR 261 Ca -0.02 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 1kee h TYR 261 Cb 1.21 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 1kee h TYR 261 CO 0.04 0.64 0.24 1.96 -1.32 0.00 0.00 178.16 179.72 1kee h GLN 262 N 0.93 0.81 -0.85 1.82 1.08 -1.15 0.29 115.11 118.03 1kee h GLN 262 Ca 0.24 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1kee h GLN 262 Cb 0.01 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.26 1kee h GLN 262 CO -0.04 0.69 0.54 0.82 -0.95 0.00 0.00 178.83 179.89 1kee h ILE 263 N 0.75 1.23 -0.36 2.54 2.04 -1.40 0.31 117.51 122.62 1kee h ILE 263 Ca 0.19 -0.46 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 1kee h ILE 263 Cb 0.17 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1kee h ILE 263 CO -0.02 0.23 -0.33 -0.03 0.00 0.00 0.00 178.15 178.00 1kee h MET 264 N 1.17 0.80 -0.52 2.37 4.05 -0.62 -1.31 114.93 120.87 1kee h MET 264 Ca 0.31 -0.38 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 1kee h MET 264 Cb -0.09 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 1kee h MET 264 CO -0.06 1.01 0.09 -0.09 0.23 0.00 0.00 176.91 178.09 1kee h ARG 265 N 0.67 0.85 -0.72 0.39 2.43 0.19 -1.29 114.38 116.90 1kee h ARG 265 Ca 0.07 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 1kee h ARG 265 Cb 0.88 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 1kee h ARG 265 CO 0.08 0.84 0.19 -0.91 -1.51 0.00 0.00 179.97 178.65 1kee h ASN 266 N 0.73 1.09 -0.64 -3.80 -0.26 -0.27 -2.42 115.58 110.01 1kee h ASN 266 Ca 0.16 -0.23 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 1kee h ASN 266 Cb 0.39 -0.29 -0.03 0.00 -1.06 0.00 0.00 38.32 37.33 1kee h ASN 266 CO 0.01 1.04 0.30 0.00 -1.06 0.00 0.00 177.43 177.71 1kee h ALA 267 N 1.10 0.83 -0.18 -0.83 0.00 -0.99 -0.10 119.26 119.09 1kee h ALA 267 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1kee h ALA 267 Cb 0.36 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1kee h ALA 267 CO 0.00 0.41 -0.07 0.77 0.00 0.00 0.00 179.25 180.36 1kee h SER 268 N 0.89 -0.24 -0.49 0.00 0.02 -0.96 0.22 113.55 112.99 1kee h SER 268 Ca 0.22 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1kee h SER 268 Cb 0.14 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1kee h SER 268 CO -0.03 -0.09 0.15 0.24 -1.14 0.00 0.00 176.83 175.96 1kee h MET 269 N -0.04 0.76 -0.96 3.45 2.86 -1.19 -2.46 114.93 117.36 1kee h MET 269 Ca 0.09 -0.17 0.11 0.00 -2.06 0.00 0.00 59.70 57.68 1kee h MET 269 Cb 0.18 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 1kee h MET 269 CO -0.21 0.72 0.61 0.00 1.06 0.00 0.00 176.91 179.09 1kee h ALA 270 N 1.01 1.57 -0.50 6.32 0.00 -0.19 -1.72 119.26 125.76 1kee h ALA 270 Ca 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1kee h ALA 270 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1kee h ALA 270 CO -0.00 0.21 0.14 0.28 0.00 0.00 0.00 179.25 179.87 1kee h VAL 271 N 0.96 1.23 -0.69 0.00 2.07 -0.15 -1.50 116.25 118.18 1kee h VAL 271 Ca 0.46 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1kee h VAL 271 Cb 0.45 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1kee h VAL 271 CO -0.22 0.29 0.19 -0.07 0.02 0.00 0.00 177.57 177.78 1kee h LEU 272 N 0.67 1.01 -0.37 2.57 4.07 -1.00 -1.12 115.31 121.15 1kee h LEU 272 Ca 0.16 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1kee h LEU 272 Cb 0.31 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1kee h LEU 272 CO -0.00 0.96 0.18 0.03 -1.08 0.00 0.00 178.44 178.53 1kee h ARG 273 N 1.03 0.53 -0.01 1.13 3.08 -1.18 -0.56 114.38 118.40 1kee h ARG 273 Ca 0.22 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1kee h ARG 273 Cb 0.33 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1kee h ARG 273 CO -0.00 0.47 -0.01 1.49 -1.07 0.00 0.00 179.97 180.85 1kee h GLU 274 N 0.46 0.02 -0.59 0.04 4.57 -1.10 -3.05 114.58 114.94 1kee h GLU 274 Ca 0.13 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1kee h GLU 274 Cb 0.11 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1kee h GLU 274 CO -0.02 0.46 0.39 0.82 -1.18 0.00 0.00 179.01 179.48 1kee h ILE 275 N -0.41 1.04 0.00 2.32 5.03 -1.22 -3.47 117.51 120.81 1kee h ILE 275 Ca 0.00 -0.22 0.00 0.00 -0.12 0.00 0.00 64.86 64.52 1kee h ILE 275 Cb 0.45 0.35 0.00 0.00 -3.03 0.00 0.00 36.82 34.59 1kee h ILE 275 CO 0.00 0.12 0.00 0.61 -0.68 0.00 0.00 178.15 178.20 1kee n GLY 276 N -1.47 1.33 3.64 5.37 0.00 -0.36 -4.34 105.19 109.36 1kee n GLY 276 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1kee n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 277 N -2.00 4.51 -0.01 1.61 1.01 -0.39 -4.80 120.40 120.32 1kee s VAL 277 Ca 0.00 1.75 0.06 0.00 0.00 0.00 0.00 61.98 63.79 1kee s VAL 277 Cb 0.00 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 31.92 1kee s VAL 277 CO 0.00 -0.43 0.11 -0.62 0.00 0.00 0.00 175.10 174.16 1kee n GLU 278 N 6.81 0.61 -2.55 2.72 1.02 -1.26 -4.58 120.64 123.41 1kee n GLU 278 Ca 0.12 -0.05 -0.19 0.00 -0.02 0.00 0.00 57.16 57.03 1kee n GLU 278 Cb 0.47 -1.14 0.01 0.00 -0.02 0.00 0.00 31.44 30.77 1kee n GLU 278 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kee n THR 279 N -1.77 1.78 -2.64 2.62 -2.24 -1.24 -2.55 114.28 108.24 1kee n THR 279 Ca -0.02 -4.08 0.00 0.00 -2.27 0.00 0.00 64.05 57.68 1kee n THR 279 Cb 0.23 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1kee n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 280 N -0.32 1.18 3.83 3.38 0.00 -0.72 -3.99 105.19 108.55 1kee n GLY 280 Ca 0.26 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1kee n GLY 280 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kee s GLY 281 N -0.67 1.54 0.09 -0.02 0.00 -1.26 -0.21 107.32 106.78 1kee s GLY 281 Ca 0.00 -1.50 -0.26 0.00 0.00 0.00 0.00 44.72 42.96 1kee s GLY 281 CO 0.00 -1.51 0.63 -0.56 0.00 0.00 0.00 173.10 171.67 1kee s SER 282 N -3.89 -0.60 -0.11 1.64 0.01 0.11 -3.72 113.70 107.15 1kee s SER 282 Ca 0.35 0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.85 1kee s SER 282 Cb -0.07 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 1kee s SER 282 CO 0.25 -0.84 -0.05 0.21 0.41 0.00 0.00 173.24 173.23 1kee s ASN 283 N -2.21 4.80 -0.10 2.44 3.84 -1.09 0.00 114.94 122.62 1kee s ASN 283 Ca -0.03 -0.04 0.02 0.00 0.21 0.00 0.00 52.86 53.02 1kee s ASN 283 Cb -0.01 -1.48 0.01 0.00 -0.55 0.00 0.00 41.25 39.22 1kee s ASN 283 CO -0.05 0.28 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.68 1kee s VAL 284 N -0.33 1.60 0.04 -5.21 1.01 -0.56 -1.40 120.40 115.55 1kee s VAL 284 Ca 0.05 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1kee s VAL 284 Cb -0.12 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1kee s VAL 284 CO 0.02 0.46 -0.01 -1.10 0.00 0.00 0.00 175.10 174.47 1kee s GLN 285 N 0.81 2.63 0.23 2.72 -0.21 0.77 -1.40 119.66 125.22 1kee s GLN 285 Ca -0.10 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 54.55 1kee s GLN 285 Cb -0.16 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 1kee s GLN 285 CO 0.01 0.58 0.11 -0.06 -2.12 0.00 0.00 175.29 173.81 1kee s PHE 286 N -1.17 1.35 -0.04 0.91 0.08 -0.38 -0.36 117.98 118.38 1kee s PHE 286 Ca 0.22 -1.27 0.03 0.00 0.12 0.00 0.00 56.93 56.02 1kee s PHE 286 Cb -0.12 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.60 1kee s PHE 286 CO 0.13 -0.47 -0.11 0.00 -0.10 0.00 0.00 175.22 174.67 1kee s ALA 287 N -3.94 1.07 -0.07 5.36 0.00 -0.04 -1.89 121.76 122.25 1kee s ALA 287 Ca 0.38 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1kee s ALA 287 Cb 0.07 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1kee s ALA 287 CO 0.13 0.15 -0.21 0.08 0.00 0.00 0.00 175.76 175.90 1kee s VAL 288 N 0.35 1.79 -0.31 0.00 1.01 -0.16 -0.49 120.40 122.60 1kee s VAL 288 Ca -0.07 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 1kee s VAL 288 Cb -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1kee s VAL 288 CO 0.02 0.50 0.84 0.21 0.00 0.00 0.00 175.10 176.67 1kee s ASN 289 N 0.19 6.70 0.64 3.32 3.84 -0.38 -0.68 114.94 128.57 1kee s ASN 289 Ca -0.11 0.71 0.39 0.00 0.21 0.00 0.00 52.86 54.06 1kee s ASN 289 Cb -0.15 -2.43 2.20 0.00 -0.55 0.00 0.00 41.25 40.31 1kee s ASN 289 CO 0.05 -0.68 2.32 1.55 -2.79 0.00 0.00 177.10 177.56 1kee h PRO 290 N 8.15 0.00 0.00 0.43 0.13 -1.92 0.25 132.00 139.03 1kee h PRO 290 Ca -0.24 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.72 1kee h PRO 290 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1kee h PRO 290 CO 0.91 0.00 -0.81 0.87 -0.23 0.00 0.00 178.00 178.75 1kee h LYS 291 N 0.00 0.00 0.00 0.86 1.57 -1.98 -3.40 116.57 113.62 1kee h LYS 291 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kee h LYS 291 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1kee h LYS 291 CO -0.00 0.81 -0.05 0.27 -0.57 0.00 0.00 179.45 179.91 1kee n ASN 292 N -3.46 0.00 0.00 0.86 0.23 -0.91 -5.00 115.26 106.98 1kee n ASN 292 Ca -0.00 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 52.94 1kee n ASN 292 Cb 0.81 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.49 1kee n ASN 292 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1kee n GLY 293 N 0.00 0.40 3.68 4.83 0.00 0.82 -4.92 105.19 109.99 1kee n GLY 293 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1kee n GLY 293 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1kee n ARG 294 N -1.57 2.32 -3.59 1.61 0.63 -1.24 -4.66 116.66 110.16 1kee n ARG 294 Ca 0.00 0.85 -0.37 0.00 -0.92 0.00 0.00 57.85 57.41 1kee n ARG 294 Cb 0.13 -2.69 -0.09 0.00 0.45 0.00 0.00 32.46 30.26 1kee n ARG 294 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1kee s LEU 295 N 3.25 4.15 -0.08 6.15 2.96 -1.26 -1.24 118.68 132.60 1kee s LEU 295 Ca 0.88 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 1kee s LEU 295 Cb -0.64 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1kee s LEU 295 CO 0.46 0.05 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.72 1kee s ILE 296 N 0.98 1.67 -0.13 6.68 1.01 0.36 -4.37 121.20 127.40 1kee s ILE 296 Ca 0.11 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 1kee s ILE 296 Cb -0.13 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1kee s ILE 296 CO 0.04 0.47 0.99 -0.69 0.00 0.00 0.00 174.94 175.76 1kee s VAL 297 N 0.43 4.78 -0.19 2.92 1.01 0.11 -0.86 120.40 128.61 1kee s VAL 297 Ca -0.16 2.00 -0.16 0.00 0.00 0.00 0.00 61.98 63.66 1kee s VAL 297 Cb -0.17 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.81 1kee s VAL 297 CO 0.06 -0.02 -0.04 -0.38 0.00 0.00 0.00 175.10 174.73 1kee n ILE 298 N 4.67 1.49 -3.88 2.22 2.08 0.51 -4.58 119.36 121.87 1kee n ILE 298 Ca 0.09 0.04 -0.04 0.00 0.56 0.00 0.00 62.75 63.40 1kee n ILE 298 Cb 0.48 -2.18 0.02 0.00 -0.75 0.00 0.00 39.64 37.21 1kee n ILE 298 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1kee s GLU 299 N -2.37 1.42 -0.15 0.38 -1.05 -1.20 -5.00 118.70 110.73 1kee s GLU 299 Ca -0.24 -0.91 -0.12 0.00 -0.15 0.00 0.00 54.97 53.54 1kee s GLU 299 Cb 0.05 0.39 0.04 0.00 -0.44 0.00 0.00 34.13 34.18 1kee s GLU 299 CO 0.42 -0.66 0.39 0.00 0.95 0.00 0.00 175.26 176.36 1kee s MET 300 N -2.17 0.43 -0.28 -4.83 0.23 -1.26 -0.16 119.30 111.26 1kee s MET 300 Ca 0.21 0.59 -0.02 0.00 -1.03 0.00 0.00 55.69 55.44 1kee s MET 300 Cb -0.03 0.15 0.04 0.00 -1.53 0.00 0.00 34.83 33.46 1kee s MET 300 CO 0.06 -0.08 -0.01 -0.80 -2.03 0.00 0.00 175.02 172.16 1kee s ASN 301 N 0.51 4.70 -0.28 -1.18 0.01 -0.50 -4.75 114.94 113.46 1kee s ASN 301 Ca -0.03 -1.04 -0.05 0.00 -0.71 0.00 0.00 52.86 51.03 1kee s ASN 301 Cb -0.04 -1.72 -0.18 0.00 0.41 0.00 0.00 41.25 39.72 1kee s ASN 301 CO -0.03 -0.20 2.89 -0.81 -1.51 0.00 0.00 177.10 177.44 1kee n PRO 302 N 4.68 1.88 -2.34 -0.60 -0.04 -1.26 -2.66 135.00 134.65 1kee n PRO 302 Ca -0.15 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 1kee n PRO 302 Cb 0.45 -2.06 0.01 0.00 -0.04 0.00 0.00 33.50 31.86 1kee n PRO 302 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1kee n ARG 303 N 2.88 0.12 -1.93 0.54 1.85 -1.24 -4.86 116.66 114.01 1kee n ARG 303 Ca 0.40 -0.34 -0.31 0.00 -1.00 0.00 0.00 57.85 56.60 1kee n ARG 303 Cb 0.61 0.49 0.01 0.00 -1.05 0.00 0.00 32.46 32.52 1kee n ARG 303 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1kee s VAL 304 N -2.26 4.65 0.05 8.89 -7.23 -0.75 -4.31 120.40 119.45 1kee s VAL 304 Ca 0.08 0.92 0.01 0.00 -1.81 0.00 0.00 61.98 61.17 1kee s VAL 304 Cb -0.01 -3.83 -0.00 0.00 0.56 0.00 0.00 36.38 33.11 1kee s VAL 304 CO 0.01 -1.07 0.06 -1.54 -0.31 0.00 0.00 175.10 172.25 1kee n SER 305 N -2.60 -0.15 0.21 4.85 3.41 -1.26 -4.71 113.62 113.36 1kee n SER 305 Ca 0.06 -1.32 0.09 0.00 -0.26 0.00 0.00 58.87 57.45 1kee n SER 305 Cb 0.54 0.32 0.33 0.00 -0.26 0.00 0.00 64.21 65.14 1kee n SER 305 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1kee h ARG 306 N 0.00 0.00 0.01 4.33 0.11 -1.94 -2.72 114.38 114.16 1kee h ARG 306 Ca -0.04 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.84 1kee h ARG 306 Cb 0.18 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.24 1kee h ARG 306 CO 0.05 0.23 -0.95 0.77 0.10 0.00 0.00 179.97 180.18 1kee h SER 307 N 0.00 0.07 0.72 0.08 0.02 -1.98 -2.33 113.55 110.12 1kee h SER 307 Ca -0.00 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.73 1kee h SER 307 Cb 0.92 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1kee h SER 307 CO 0.03 0.97 -0.73 0.77 -1.14 0.00 0.00 176.83 176.73 1kee h SER 308 N 0.02 0.01 -0.17 3.07 4.64 -1.89 0.29 113.55 119.52 1kee h SER 308 Ca -0.02 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1kee h SER 308 Cb 1.65 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.74 1kee h SER 308 CO 0.13 0.74 -0.25 0.00 -0.87 0.00 0.00 176.83 176.57 1kee h ALA 309 N 1.26 0.26 -0.52 5.18 0.00 -1.42 0.11 119.26 124.13 1kee h ALA 309 Ca -0.01 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1kee h ALA 309 Cb 1.29 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1kee h ALA 309 CO 0.10 0.24 0.31 1.25 0.00 0.00 0.00 179.25 181.15 1kee h LEU 310 N 0.11 0.50 -1.14 0.00 5.85 -1.28 -0.73 115.31 118.63 1kee h LEU 310 Ca 0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1kee h LEU 310 Cb 0.83 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1kee h LEU 310 CO 0.06 0.36 0.27 0.00 -0.34 0.00 0.00 178.44 178.78 1kee h ALA 311 N 1.23 1.33 -0.34 1.25 0.00 -0.25 0.25 119.26 122.73 1kee h ALA 311 Ca 0.21 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1kee h ALA 311 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1kee h ALA 311 CO -0.10 0.51 -0.08 0.77 0.00 0.00 0.00 179.25 180.35 1kee h SER 312 N 0.86 0.67 -0.49 0.00 0.02 -0.14 -1.46 113.55 113.01 1kee h SER 312 Ca 0.21 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1kee h SER 312 Cb 0.13 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1kee h SER 312 CO -0.02 0.88 0.18 0.11 -1.14 0.00 0.00 176.83 176.83 1kee h LYS 313 N 0.45 0.74 -0.58 3.45 1.79 -0.73 0.28 116.57 121.98 1kee h LYS 313 Ca 0.09 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1kee h LYS 313 Cb 0.59 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 1kee h LYS 313 CO 0.03 0.68 0.22 0.00 -1.08 0.00 0.00 179.45 179.30 1kee h ALA 314 N 1.03 1.30 0.00 3.86 0.00 -0.42 -3.29 119.26 121.73 1kee h ALA 314 Ca 0.16 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1kee h ALA 314 Cb 0.23 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1kee h ALA 314 CO -0.01 0.52 -2.19 0.25 0.00 0.00 0.00 179.25 177.82 1kee n THR 315 N -4.32 0.99 -0.21 0.00 -2.24 -0.56 -4.98 114.28 102.96 1kee n THR 315 Ca 0.05 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1kee n THR 315 Cb 0.17 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1kee n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 316 N 1.75 0.70 3.49 3.38 0.00 0.98 -2.54 105.19 112.95 1kee n GLY 316 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1kee n GLY 316 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kee s PHE 317 N -2.29 3.13 -1.22 1.61 2.19 -1.18 -4.64 117.98 115.59 1kee s PHE 317 Ca 0.00 -0.27 -0.21 0.00 0.33 0.00 0.00 56.93 56.78 1kee s PHE 317 Cb 0.00 -3.08 -0.03 0.00 -1.31 0.00 0.00 43.02 38.60 1kee s PHE 317 CO 0.00 -0.78 1.87 -0.35 1.83 0.00 0.00 175.22 177.80 1kee n PRO 318 N 5.86 2.19 -0.12 10.12 -0.04 -1.26 -4.18 135.00 147.56 1kee n PRO 318 Ca -0.05 -2.74 -0.12 0.00 -0.04 0.00 0.00 63.50 60.55 1kee n PRO 318 Cb 0.47 -3.61 -0.07 0.00 -0.04 0.00 0.00 33.50 30.25 1kee n PRO 318 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1kee h ILE 319 N 5.84 0.05 -0.82 0.52 2.04 -1.92 -1.74 117.51 121.48 1kee h ILE 319 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.18 1kee h ILE 319 Cb 0.90 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1kee h ILE 319 CO 1.35 0.00 0.51 0.00 0.00 0.00 0.00 178.15 180.01 1kee h ALA 320 N 0.15 1.36 -0.43 1.87 0.00 -1.93 0.29 119.26 120.58 1kee h ALA 320 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1kee h ALA 320 Cb 0.60 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1kee h ALA 320 CO -0.57 0.56 0.15 0.87 0.00 0.00 0.00 179.25 180.26 1kee h LYS 321 N 1.12 0.66 0.08 0.00 1.57 -1.72 -0.24 116.57 118.04 1kee h LYS 321 Ca 0.30 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1kee h LYS 321 Cb -0.08 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1kee h LYS 321 CO -0.06 0.63 -0.04 0.28 -0.57 0.00 0.00 179.45 179.69 1kee h VAL 322 N 0.56 1.07 -0.92 0.50 2.07 -0.92 -2.47 116.25 116.14 1kee h VAL 322 Ca 0.14 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.17 1kee h VAL 322 Cb 0.23 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 1kee h VAL 322 CO -0.01 0.14 0.60 0.00 0.02 0.00 0.00 177.57 178.32 1kee h ALA 323 N 0.52 1.50 -0.57 1.67 0.00 -0.33 -0.81 119.26 121.24 1kee h ALA 323 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1kee h ALA 323 Cb 0.31 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1kee h ALA 323 CO 0.02 0.36 0.13 0.00 0.00 0.00 0.00 179.25 179.76 1kee h ALA 324 N 1.50 1.16 -0.18 0.00 0.00 -0.88 0.12 119.26 120.98 1kee h ALA 324 Ca 0.40 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1kee h ALA 324 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1kee h ALA 324 CO -0.15 0.57 -0.44 0.87 0.00 0.00 0.00 179.25 180.09 1kee h LYS 325 N 0.85 0.44 0.00 0.00 1.57 -0.81 -2.55 116.57 116.07 1kee h LYS 325 Ca 0.18 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1kee h LYS 325 Cb 0.32 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1kee h LYS 325 CO -0.00 0.80 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.15 1kee h LEU 326 N 0.36 0.00 -2.34 2.94 4.07 -0.57 -2.28 115.31 117.48 1kee h LEU 326 Ca 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1kee h LEU 326 Cb 0.92 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.66 1kee h LEU 326 CO 0.08 0.46 -0.04 0.00 -1.08 0.00 0.00 178.44 177.86 1kee h ALA 327 N 1.54 1.20 -0.72 1.53 0.00 -0.55 -2.48 119.26 119.78 1kee h ALA 327 Ca -0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 54.91 54.47 1kee h ALA 327 Cb 0.92 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.47 1kee h ALA 327 CO 0.06 0.05 0.30 1.33 0.00 0.00 0.00 179.25 180.98 1kee n VAL 328 N -3.42 2.96 0.00 0.00 0.24 -0.94 -4.35 118.33 112.82 1kee n VAL 328 Ca -0.02 -2.51 0.00 0.00 -2.04 0.00 0.00 64.34 59.77 1kee n VAL 328 Cb 0.16 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 1kee n VAL 328 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kee n GLY 329 N -1.09 2.41 3.75 7.63 0.00 -0.93 0.62 105.19 117.56 1kee n GLY 329 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 1kee n GLY 329 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kee s TYR 330 N -2.38 2.34 0.15 1.61 1.51 -0.90 -3.86 117.35 115.82 1kee s TYR 330 Ca 0.00 1.59 0.10 0.00 -1.01 0.00 0.00 57.07 57.75 1kee s TYR 330 Cb 0.00 -3.25 -0.04 0.00 -0.11 0.00 0.00 41.96 38.56 1kee s TYR 330 CO 0.00 -2.09 -0.20 0.95 -1.11 0.00 0.00 175.55 173.10 1kee s THR 331 N -2.37 2.67 0.24 -0.71 -4.23 -1.19 -4.36 115.64 105.68 1kee s THR 331 Ca 0.68 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1kee s THR 331 Cb -0.23 -2.25 0.21 0.00 1.34 0.00 0.00 72.50 71.57 1kee s THR 331 CO 0.47 -0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 176.22 1kee h LEU 332 N 3.45 0.37 -2.35 4.79 3.38 -1.94 -0.12 115.31 122.88 1kee h LEU 332 Ca -0.48 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1kee h LEU 332 Cb 1.19 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1kee h LEU 332 CO 0.47 0.17 -0.01 -2.24 0.09 0.00 0.00 178.44 176.92 1kee h ASP 333 N 0.52 0.00 1.05 -0.43 2.03 -1.92 -2.29 116.42 115.39 1kee h ASP 333 Ca 0.40 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.53 1kee h ASP 333 Cb 0.56 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.03 1kee h ASP 333 CO -0.36 0.01 -1.00 -0.33 -1.03 0.00 0.00 179.24 176.54 1kee h GLU 334 N 0.00 0.00 -6.82 4.15 5.08 -1.42 -3.45 114.58 112.12 1kee h GLU 334 Ca -0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1kee h GLU 334 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1kee h GLU 334 CO 0.00 0.59 0.15 -0.51 -1.00 0.00 0.00 179.01 178.24 1kee s LEU 335 N -6.32 3.98 0.30 1.33 1.43 -0.87 -4.97 118.68 113.56 1kee s LEU 335 Ca 0.01 1.34 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 1kee s LEU 335 Cb 0.09 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 1kee s LEU 335 CO 0.79 -0.28 0.46 -0.04 0.23 0.00 0.00 176.35 177.51 1kee s MET 336 N -3.21 3.40 -0.33 1.70 -1.94 -1.26 -0.19 119.30 117.46 1kee s MET 336 Ca 0.55 -0.62 -0.22 0.00 -1.71 0.00 0.00 55.69 53.69 1kee s MET 336 Cb -0.10 -2.78 0.00 0.00 2.01 0.00 0.00 34.83 33.96 1kee s MET 336 CO 0.20 0.24 0.74 1.21 -0.01 0.00 0.00 175.02 177.40 1kee s ASN 337 N -4.04 6.58 0.04 3.03 2.47 0.34 -4.27 114.94 119.09 1kee s ASN 337 Ca 0.38 0.48 -0.10 0.00 0.42 0.00 0.00 52.86 54.04 1kee s ASN 337 Cb -0.09 -2.38 -0.03 0.00 -1.45 0.00 0.00 41.25 37.29 1kee s ASN 337 CO 0.32 -0.62 1.17 0.44 -3.72 0.00 0.00 177.10 174.69 1kee h ASP 338 N 8.27 -0.60 0.76 -4.21 3.45 -1.90 -1.02 116.42 121.18 1kee h ASP 338 Ca -0.25 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.29 1kee h ASP 338 Cb 1.10 0.25 0.00 0.00 -0.56 0.00 0.00 39.33 40.12 1kee h ASP 338 CO 0.87 -0.11 0.00 0.16 -1.57 0.00 0.00 179.24 178.59 1kee h ILE 339 N -0.10 0.00 -0.44 0.35 3.07 -1.93 -2.92 117.51 115.55 1kee h ILE 339 Ca 0.03 -0.35 -0.20 0.00 1.55 0.00 0.00 64.86 65.89 1kee h ILE 339 Cb 0.17 1.25 -0.12 0.00 -0.27 0.00 0.00 36.82 37.85 1kee h ILE 339 CO -0.21 0.00 0.26 0.35 -1.05 0.00 0.00 178.15 177.50 1kee n THR 340 N -2.83 1.92 -1.80 0.16 -2.24 -1.14 -3.78 114.28 104.57 1kee n THR 340 Ca 0.00 -0.86 -0.16 0.00 -2.27 0.00 0.00 64.05 60.77 1kee n THR 340 Cb 0.24 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 1kee n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 341 N -0.18 0.82 3.21 3.38 0.00 -1.11 -2.15 105.19 109.17 1kee n GLY 341 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kee n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 342 N -1.04 0.43 0.22 -0.02 0.00 -0.40 -4.84 105.19 99.54 1kee n GLY 342 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.93 1kee n GLY 342 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1kee h ARG 343 N 1.22 0.00 -6.17 1.61 -0.00 -1.65 -3.42 114.38 105.97 1kee h ARG 343 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.89 1kee h ARG 343 Cb 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 29.97 29.97 1kee h ARG 343 CO 0.00 0.24 -0.76 0.95 0.00 0.00 0.00 179.97 180.40 1kee s THR 344 N -4.18 2.36 0.83 2.04 -4.23 -1.26 -5.01 115.64 106.19 1kee s THR 344 Ca -0.03 -2.33 -0.12 0.00 -1.18 0.00 0.00 61.69 58.03 1kee s THR 344 Cb 0.14 -2.24 0.09 0.00 1.34 0.00 0.00 72.50 71.83 1kee s THR 344 CO 0.66 -0.39 1.19 -2.16 -0.54 0.00 0.00 174.62 173.38 1kee s PRO 345 N -3.42 1.81 0.00 3.99 0.04 -1.26 0.13 135.00 136.29 1kee s PRO 345 Ca 0.28 0.07 0.28 0.00 0.04 0.00 0.00 61.00 61.66 1kee s PRO 345 Cb -0.05 -1.94 1.07 0.00 0.04 0.00 0.00 34.50 33.63 1kee s PRO 345 CO 0.13 -1.70 1.78 0.00 0.04 0.00 0.00 177.00 177.25 1kee n ALA 346 N -3.38 2.82 -2.46 8.56 0.00 0.73 -4.07 120.51 122.71 1kee n ALA 346 Ca 0.09 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 1kee n ALA 346 Cb 0.61 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1kee n ALA 346 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1kee n SER 347 N -1.22 4.87 -3.68 0.00 3.41 -1.14 -4.88 113.62 110.99 1kee n SER 347 Ca 0.11 -2.98 -0.08 0.00 -0.26 0.00 0.00 58.87 55.66 1kee n SER 347 Cb 0.31 -1.60 -0.02 0.00 -0.26 0.00 0.00 64.21 62.64 1kee n SER 347 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1kee s PHE 348 N 2.12 -0.04 -0.20 7.33 -0.12 -1.26 -4.94 117.98 120.87 1kee s PHE 348 Ca 0.45 -0.45 -0.04 0.00 -0.05 0.00 0.00 56.93 56.84 1kee s PHE 348 Cb 0.05 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 43.09 1kee s PHE 348 CO 0.00 -1.28 -0.03 -1.21 -0.05 0.00 0.00 175.22 172.65 1kee s GLU 349 N -3.60 3.47 0.60 1.99 2.02 -1.26 -4.79 118.70 117.14 1kee s GLU 349 Ca 0.14 -0.59 -0.19 0.00 0.02 0.00 0.00 54.97 54.35 1kee s GLU 349 Cb -0.05 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 1kee s GLU 349 CO 0.08 -0.07 1.27 -2.14 0.02 0.00 0.00 175.26 174.42 1kee s PRO 350 N 1.18 2.84 -0.05 0.39 0.02 -1.26 -4.99 135.00 133.13 1kee s PRO 350 Ca 0.02 2.01 0.02 0.00 0.02 0.00 0.00 61.00 63.07 1kee s PRO 350 Cb -0.14 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1kee s PRO 350 CO -0.00 -1.36 -0.08 0.45 -0.33 0.00 0.00 177.00 175.68 1kee s SER 351 N -1.38 1.32 0.02 2.53 0.15 0.13 -4.96 113.70 111.51 1kee s SER 351 Ca 0.78 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 57.31 1kee s SER 351 Cb -0.35 -0.63 -0.02 0.00 -1.71 0.00 0.00 66.02 63.31 1kee s SER 351 CO 0.39 -0.01 -0.24 0.27 1.20 0.00 0.00 173.24 174.84 1kee s ILE 352 N 0.77 1.95 -0.64 6.45 -4.36 -1.26 0.13 121.20 124.23 1kee s ILE 352 Ca -0.13 -1.20 -0.01 0.00 -0.26 0.00 0.00 60.65 59.05 1kee s ILE 352 Cb -0.15 -1.65 0.44 0.00 1.25 0.00 0.00 42.46 42.34 1kee s ILE 352 CO 0.02 0.41 1.91 -0.90 0.24 0.00 0.00 174.94 176.62 1kee n ASP 353 N 2.09 7.28 -2.18 4.36 3.85 -1.26 -4.88 116.55 125.81 1kee n ASP 353 Ca -0.16 -3.79 -0.04 0.00 -0.71 0.00 0.00 54.79 50.09 1kee n ASP 353 Cb 0.52 -0.90 0.02 0.00 -1.35 0.00 0.00 41.12 39.40 1kee n ASP 353 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kee n TYR 354 N -0.83 -1.52 -4.92 2.11 4.11 -1.26 -4.83 117.16 110.02 1kee n TYR 354 Ca 0.59 -0.98 -0.28 0.00 -0.00 0.00 0.00 57.90 57.23 1kee n TYR 354 Cb 0.63 0.48 -0.17 0.00 -0.00 0.00 0.00 39.34 40.29 1kee n TYR 354 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1kee s VAL 355 N -2.39 1.61 -0.18 -3.48 1.01 0.17 -4.69 120.40 112.45 1kee s VAL 355 Ca 0.11 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1kee s VAL 355 Cb -0.02 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1kee s VAL 355 CO 0.06 0.46 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 1kee s VAL 356 N 0.39 4.48 -0.09 2.92 1.01 -0.29 -1.90 120.40 126.93 1kee s VAL 356 Ca -0.14 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1kee s VAL 356 Cb -0.16 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1kee s VAL 356 CO 0.06 0.46 -0.24 -0.89 0.00 0.00 0.00 175.10 174.48 1kee s THR 357 N 0.48 2.05 -0.07 3.92 2.01 -0.15 -0.85 115.64 123.02 1kee s THR 357 Ca 0.01 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1kee s THR 357 Cb -0.13 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 1kee s THR 357 CO 0.01 0.56 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.57 1kee s LYS 358 N 0.19 2.76 -0.07 4.92 2.20 0.57 -0.70 119.74 129.61 1kee s LYS 358 Ca -0.14 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.71 1kee s LYS 358 Cb -0.17 -2.36 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 1kee s LYS 358 CO 0.07 0.42 -0.14 0.42 -0.36 0.00 0.00 175.35 175.76 1kee s ILE 359 N -0.21 1.26 0.66 5.43 1.01 -0.66 -1.67 121.20 127.02 1kee s ILE 359 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 1kee s ILE 359 Cb -0.13 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 1kee s ILE 359 CO 0.03 0.38 1.06 -2.16 0.00 0.00 0.00 174.94 174.25 1kee s PRO 360 N 0.56 3.09 -0.16 2.79 0.04 -1.26 -0.88 135.00 139.18 1kee s PRO 360 Ca -0.14 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 61.91 1kee s PRO 360 Cb -0.16 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1kee s PRO 360 CO 0.04 -0.98 -0.11 0.50 0.04 0.00 0.00 177.00 176.49 1kee s ARG 361 N -4.74 3.36 0.56 4.56 6.06 0.12 -4.83 118.95 124.04 1kee s ARG 361 Ca 0.60 -0.68 0.05 0.00 -2.50 0.00 0.00 55.73 53.20 1kee s ARG 361 Cb -0.14 -2.73 0.05 0.00 0.06 0.00 0.00 34.95 32.19 1kee s ARG 361 CO 0.49 0.08 0.43 -0.06 -2.50 0.00 0.00 175.30 173.74 1kee s PHE 362 N 0.70 1.51 -0.18 5.12 0.08 -1.26 -0.59 117.98 123.36 1kee s PHE 362 Ca -0.05 -0.87 0.13 0.00 0.12 0.00 0.00 56.93 56.26 1kee s PHE 362 Cb -0.15 -1.91 0.32 0.00 -0.57 0.00 0.00 43.02 40.71 1kee s PHE 362 CO 0.02 -0.55 1.26 0.09 -0.10 0.00 0.00 175.22 175.94 1kee n ASN 363 N -1.82 -0.44 0.26 1.36 5.03 -1.26 -4.81 115.26 113.58 1kee n ASN 363 Ca -0.01 -2.09 0.17 0.00 0.87 0.00 0.00 54.58 53.52 1kee n ASN 363 Cb 0.64 0.23 0.91 0.00 -1.02 0.00 0.00 39.78 40.55 1kee n ASN 363 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1kee h PHE 364 N 1.02 0.00 0.00 3.10 0.04 -1.93 -0.88 116.94 118.29 1kee h PHE 364 Ca -0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1kee h PHE 364 Cb 1.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.55 1kee h PHE 364 CO 0.04 0.00 0.00 1.05 -0.60 0.00 0.00 178.31 178.80 1kee h GLU 365 N 0.00 0.00 -0.00 1.51 9.09 -1.99 -1.95 114.58 121.24 1kee h GLU 365 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 1kee h GLU 365 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1kee h GLU 365 CO -0.00 0.00 -0.27 1.63 0.05 0.00 0.00 179.01 180.42 1kee n LYS 366 N -2.92 0.01 -3.52 1.06 5.02 -0.33 -4.45 118.16 113.02 1kee n LYS 366 Ca -0.00 -0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1kee n LYS 366 Cb 0.21 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 1kee n LYS 366 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1kee n PHE 367 N -1.50 1.10 -0.13 2.13 3.72 -0.73 -5.00 117.46 117.05 1kee n PHE 367 Ca 0.06 -3.78 -0.08 0.00 -0.05 0.00 0.00 57.45 53.60 1kee n PHE 367 Cb 0.34 -0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 1kee n PHE 367 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kee h ALA 368 N 5.07 -0.25 0.00 4.37 0.00 -1.78 -2.22 119.26 124.46 1kee h ALA 368 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1kee h ALA 368 Cb 0.82 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1kee h ALA 368 CO 0.56 -0.77 0.00 0.41 0.00 0.00 0.00 179.25 179.45 1kee n GLY 369 N -1.42 -0.93 3.89 0.00 0.00 -1.26 -4.88 105.19 100.60 1kee n GLY 369 Ca 0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1kee n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 370 N -2.00 3.48 -0.32 4.61 0.00 -0.84 -4.21 121.76 122.48 1kee s ALA 370 Ca 0.04 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 1kee s ALA 370 Cb 0.02 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1kee s ALA 370 CO 0.03 0.02 1.22 1.21 0.00 0.00 0.00 175.76 178.24 1kee s ASN 371 N -3.37 6.75 -0.06 0.00 3.84 -1.26 -4.90 114.94 115.95 1kee s ASN 371 Ca 0.47 1.10 0.18 0.00 0.21 0.00 0.00 52.86 54.82 1kee s ASN 371 Cb -0.10 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.68 1kee s ASN 371 CO 0.33 -1.03 1.53 -0.90 -2.79 0.00 0.00 177.10 174.24 1kee n ASP 372 N 7.40 4.05 -4.82 -4.21 5.68 -1.26 -4.93 116.55 118.46 1kee n ASP 372 Ca 0.14 -2.25 -0.38 0.00 -0.50 0.00 0.00 54.79 51.80 1kee n ASP 372 Cb 0.47 -0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 39.88 1kee n ASP 372 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1kee s ARG 373 N -1.55 4.18 0.12 0.11 1.81 -1.26 -4.06 118.95 118.30 1kee s ARG 373 Ca 0.46 0.73 -0.30 0.00 -1.72 0.00 0.00 55.73 54.89 1kee s ARG 373 Cb 0.27 -3.14 -0.06 0.00 -0.45 0.00 0.00 34.95 31.57 1kee s ARG 373 CO 0.25 0.58 1.02 -0.51 -0.68 0.00 0.00 175.30 175.96 1kee s LEU 374 N -1.38 4.47 0.00 2.53 1.43 -0.14 -4.99 118.68 120.60 1kee s LEU 374 Ca 0.33 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1kee s LEU 374 Cb -0.18 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1kee s LEU 374 CO 0.20 -0.16 0.00 1.07 0.23 0.00 0.00 176.35 177.68 1kee n THR 375 N 2.86 0.00 0.78 5.49 5.66 -1.26 -4.82 114.28 122.99 1kee n THR 375 Ca 0.03 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.16 1kee n THR 375 Cb 0.48 0.00 0.40 0.00 -1.55 0.00 0.00 70.33 69.66 1kee n THR 375 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1kee n THR 376 N 0.00 0.28 -3.50 1.09 -2.24 -1.19 -0.68 114.28 108.05 1kee n THR 376 Ca 0.00 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.25 1kee n THR 376 Cb 0.00 -0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 67.80 1kee n THR 376 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1kee s GLN 377 N -3.07 4.15 0.44 -0.78 0.74 -1.26 -4.15 119.66 115.73 1kee s GLN 377 Ca 0.11 0.02 -0.26 0.00 0.05 0.00 0.00 55.36 55.28 1kee s GLN 377 Cb 0.15 -3.52 -0.09 0.00 1.10 0.00 0.00 33.01 30.65 1kee s GLN 377 CO 0.62 0.03 1.42 -1.33 -0.55 0.00 0.00 175.29 175.48 1kee n MET 378 N 4.29 2.27 0.00 1.67 2.81 0.09 -4.91 117.12 123.35 1kee n MET 378 Ca -0.11 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.59 1kee n MET 378 Cb 0.51 -2.61 0.00 0.00 -0.71 0.00 0.00 33.22 30.42 1kee n MET 378 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1kee n LYS 379 N -0.09 3.28 -2.34 0.03 5.02 -1.26 -4.87 118.16 117.93 1kee n LYS 379 Ca 0.05 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.98 1kee n LYS 379 Cb 0.41 -0.27 -0.01 0.00 -0.02 0.00 0.00 35.03 35.14 1kee n LYS 379 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1kee s SER 380 N -0.50 6.09 0.00 4.39 1.04 -1.26 -4.70 113.70 118.76 1kee s SER 380 Ca 0.00 2.16 0.21 0.00 0.48 0.00 0.00 55.95 58.80 1kee s SER 380 Cb 0.00 -2.58 0.12 0.00 0.10 0.00 0.00 66.02 63.65 1kee s SER 380 CO 0.00 -0.96 1.11 1.33 0.98 0.00 0.00 173.24 175.70 1kee n VAL 381 N -0.84 0.00 -3.17 5.02 0.24 0.24 -4.33 118.33 115.49 1kee n VAL 381 Ca 0.09 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1kee n VAL 381 Cb 0.50 1.38 0.00 0.00 -1.47 0.00 0.00 33.84 34.25 1kee n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kee n GLY 382 N 1.21 -1.18 3.48 7.63 0.00 -1.08 -4.46 105.19 110.79 1kee n GLY 382 Ca 0.11 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 1kee n GLY 382 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kee s GLU 383 N -0.33 1.08 0.24 1.61 -1.05 -1.26 0.12 118.70 119.11 1kee s GLU 383 Ca 0.00 -0.11 0.10 0.00 -0.15 0.00 0.00 54.97 54.81 1kee s GLU 383 Cb 0.00 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.15 1kee s GLU 383 CO 0.00 -0.42 -0.11 0.54 0.95 0.00 0.00 175.26 176.23 1kee s VAL 384 N -2.46 3.00 0.04 1.83 0.11 -0.06 -4.35 120.40 118.51 1kee s VAL 384 Ca -0.03 -1.99 0.02 0.00 -2.93 0.00 0.00 61.98 57.05 1kee s VAL 384 Cb -0.01 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.28 1kee s VAL 384 CO -0.02 -0.28 -0.08 -0.32 -3.33 0.00 0.00 175.10 171.07 1kee s MET 385 N -3.28 0.55 0.04 1.54 0.00 -0.03 -1.65 119.30 116.46 1kee s MET 385 Ca 0.28 -0.67 0.00 0.00 0.00 0.00 0.00 55.69 55.30 1kee s MET 385 Cb -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 34.83 34.35 1kee s MET 385 CO 0.16 0.08 -0.05 0.00 0.00 0.00 0.00 175.02 175.21 1kee s ALA 386 N -1.13 0.41 -0.05 4.11 0.00 0.12 -4.78 121.76 120.45 1kee s ALA 386 Ca -0.07 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.09 1kee s ALA 386 Cb -0.08 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 1kee s ALA 386 CO 0.00 -0.18 -0.20 0.42 0.00 0.00 0.00 175.76 175.80 1kee s ILE 387 N -2.22 1.69 0.09 0.00 1.01 -1.26 -0.98 121.20 119.53 1kee s ILE 387 Ca -0.06 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 1kee s ILE 387 Cb -0.04 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 41.01 1kee s ILE 387 CO -0.03 0.48 0.34 -0.83 0.00 0.00 0.00 174.94 174.90 1kee s GLY 388 N 0.02 -0.17 0.42 6.18 0.00 -0.80 -4.70 107.32 108.27 1kee s GLY 388 Ca -0.05 -0.10 0.23 0.00 0.00 0.00 0.00 44.72 44.79 1kee s GLY 388 CO 0.03 -0.34 1.78 3.21 0.00 0.00 0.00 173.10 177.78 1kee h ARG 389 N 2.71 0.00 -5.40 2.90 2.47 -1.87 0.49 114.38 115.69 1kee h ARG 389 Ca -0.33 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 57.89 1kee h ARG 389 Cb 1.22 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.41 1kee h ARG 389 CO 0.48 0.25 -0.64 0.95 0.56 0.00 0.00 179.97 181.58 1kee s THR 390 N -3.57 1.48 0.21 2.04 -4.23 -1.26 -4.44 115.64 105.86 1kee s THR 390 Ca 0.01 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1kee s THR 390 Cb 0.10 -2.64 -0.07 0.00 1.34 0.00 0.00 72.50 71.22 1kee s THR 390 CO 0.65 -0.15 1.50 -0.61 -0.54 0.00 0.00 174.62 175.47 1kee h GLN 391 N 2.16 0.32 -0.00 3.99 5.75 -1.91 0.24 115.11 125.66 1kee h GLN 391 Ca -0.41 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 57.86 1kee h GLN 391 Cb 1.24 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.83 1kee h GLN 391 CO 0.70 0.86 0.00 1.96 -2.65 0.00 0.00 178.83 179.70 1kee h GLN 392 N 0.23 0.00 -0.31 1.69 4.20 -1.94 0.13 115.11 119.11 1kee h GLN 392 Ca -0.01 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1kee h GLN 392 Cb 1.19 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 1kee h GLN 392 CO 0.11 0.29 0.20 1.49 -0.67 0.00 0.00 178.83 180.26 1kee h GLU 393 N -0.28 0.41 -0.24 1.46 4.81 -1.56 -1.81 114.58 117.37 1kee h GLU 393 Ca 0.00 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1kee h GLU 393 Cb 0.29 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1kee h GLU 393 CO 0.00 0.27 0.11 1.03 -0.73 0.00 0.00 179.01 179.69 1kee h SER 394 N 0.42 0.16 -0.11 1.04 0.87 -0.81 -2.18 113.55 112.95 1kee h SER 394 Ca 0.12 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1kee h SER 394 Cb -0.04 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1kee h SER 394 CO -0.03 0.13 0.02 0.25 -0.53 0.00 0.00 176.83 176.67 1kee h LEU 395 N 0.24 0.17 -1.00 2.23 5.85 -0.63 -1.98 115.31 120.18 1kee h LEU 395 Ca 0.10 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1kee h LEU 395 Cb 0.04 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1kee h LEU 395 CO -0.08 0.37 0.42 1.56 -0.34 0.00 0.00 178.44 180.37 1kee h GLN 396 N -0.04 1.12 -0.51 1.25 4.20 -1.32 0.97 115.11 120.77 1kee h GLN 396 Ca 0.03 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1kee h GLN 396 Cb 0.27 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1kee h GLN 396 CO 0.00 0.83 0.05 0.87 -0.67 0.00 0.00 178.83 179.91 1kee h LYS 397 N 1.12 0.83 -0.39 1.46 1.57 -1.32 -1.57 116.57 118.28 1kee h LYS 397 Ca 0.28 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1kee h LYS 397 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1kee h LYS 397 CO -0.04 0.80 -0.26 0.00 -0.57 0.00 0.00 179.45 179.37 1kee h ALA 398 N 1.27 0.80 -0.33 3.86 0.00 -0.63 -1.45 119.26 122.78 1kee h ALA 398 Ca 0.16 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1kee h ALA 398 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1kee h ALA 398 CO 0.01 0.65 0.15 -0.07 0.00 0.00 0.00 179.25 179.99 1kee h LEU 399 N 0.69 0.20 -0.70 0.00 3.38 -0.21 -1.86 115.31 116.82 1kee h LEU 399 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1kee h LEU 399 Cb 0.80 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1kee h LEU 399 CO 0.07 0.16 0.00 0.08 0.09 0.00 0.00 178.44 178.83 1kee h ARG 400 N 0.31 0.00 -0.02 1.13 0.11 -1.22 -2.83 114.38 111.86 1kee h ARG 400 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1kee h ARG 400 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1kee h ARG 400 CO -0.12 0.00 -0.22 0.41 0.10 0.00 0.00 179.97 180.14 1kee n GLY 401 N 0.33 0.38 0.25 0.08 0.00 -0.55 -4.45 105.19 101.22 1kee n GLY 401 Ca 0.03 -0.63 0.17 0.00 0.00 0.00 0.00 46.02 45.59 1kee n GLY 401 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1kee h LEU 402 N 3.27 0.00 -0.02 0.99 5.85 -1.15 -3.40 115.31 120.85 1kee h LEU 402 Ca 0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 1kee h LEU 402 Cb 0.82 0.00 0.06 0.00 0.37 0.00 0.00 40.66 41.90 1kee h LEU 402 CO 0.00 0.00 -0.40 -0.62 -0.34 0.00 0.00 178.44 177.08 1kee n GLU 403 N -2.84 -3.79 -0.06 1.25 -0.58 -1.26 -4.72 120.64 108.63 1kee n GLU 403 Ca -0.00 0.56 0.02 0.00 -0.42 0.00 0.00 57.16 57.32 1kee n GLU 403 Cb 0.21 -4.72 0.05 0.00 -0.57 0.00 0.00 31.44 26.42 1kee n GLU 403 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1kee n VAL 404 N -4.07 1.09 -0.61 2.62 0.24 -1.26 -4.98 118.33 111.37 1kee n VAL 404 Ca -0.05 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 1kee n VAL 404 Cb 0.56 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 1kee n VAL 404 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kee n GLY 405 N -0.31 0.80 3.79 7.63 0.00 -1.26 -5.06 105.19 110.78 1kee n GLY 405 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1kee n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 406 N -3.14 3.05 -1.35 4.61 0.00 -1.26 -4.92 121.76 118.75 1kee s ALA 406 Ca 0.00 0.57 0.11 0.00 0.00 0.00 0.00 51.96 52.64 1kee s ALA 406 Cb 0.00 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 19.98 1kee s ALA 406 CO 0.00 -0.08 0.83 0.25 0.00 0.00 0.00 175.76 176.77 1kee n THR 407 N -0.30 0.00 0.00 0.00 -2.24 -1.26 -4.46 114.28 106.02 1kee n THR 407 Ca 0.06 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1kee n THR 407 Cb 0.51 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 1kee n THR 407 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 408 N 0.64 0.08 2.24 3.38 0.00 -1.26 -4.32 105.19 105.96 1kee n GLY 408 Ca 0.06 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1kee n GLY 408 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kee n PHE 409 N 0.00 1.34 -1.83 1.61 3.01 -1.26 -4.89 117.46 115.45 1kee n PHE 409 Ca 0.00 -2.22 -0.40 0.00 1.01 0.00 0.00 57.45 55.84 1kee n PHE 409 Cb 0.00 -1.85 0.01 0.00 -0.01 0.00 0.00 39.48 37.63 1kee n PHE 409 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1kee s ASP 410 N 1.52 5.97 0.58 4.37 1.01 -1.26 -4.94 116.67 123.93 1kee s ASP 410 Ca 0.65 2.91 -0.19 0.00 0.71 0.00 0.00 52.55 56.63 1kee s ASP 410 Cb 0.27 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1kee s ASP 410 CO -0.07 -1.11 1.18 -2.16 0.21 0.00 0.00 175.17 173.22 1kee s PRO 411 N -2.39 3.10 -0.10 8.23 0.04 -1.26 -4.90 135.00 137.72 1kee s PRO 411 Ca 0.60 1.73 0.07 0.00 0.04 0.00 0.00 61.00 63.44 1kee s PRO 411 Cb -0.43 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.04 1kee s PRO 411 CO 0.56 -1.08 0.01 1.17 0.04 0.00 0.00 177.00 177.70 1kee n LYS 412 N -1.52 2.04 -4.46 4.56 3.00 -1.26 -5.03 118.16 115.48 1kee n LYS 412 Ca 0.13 0.01 -0.24 0.00 -0.00 0.00 0.00 58.31 58.20 1kee n LYS 412 Cb 0.50 -1.25 -0.10 0.00 0.00 0.00 0.00 35.03 34.18 1kee n LYS 412 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1kee s VAL 413 N -2.24 2.48 0.27 3.15 -7.23 -1.26 -5.14 120.40 110.44 1kee s VAL 413 Ca -0.07 -2.35 -0.20 0.00 -1.81 0.00 0.00 61.98 57.55 1kee s VAL 413 Cb 0.03 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.60 1kee s VAL 413 CO 0.38 -0.36 0.78 -0.55 -0.31 0.00 0.00 175.10 175.03 1kee s SER 414 N -3.40 7.05 0.21 4.85 0.15 -1.26 -4.97 113.70 116.34 1kee s SER 414 Ca 0.29 1.49 -0.08 0.00 0.70 0.00 0.00 55.95 58.35 1kee s SER 414 Cb -0.05 -2.45 0.16 0.00 -1.71 0.00 0.00 66.02 61.96 1kee s SER 414 CO 0.14 -0.05 1.78 -0.07 1.20 0.00 0.00 173.24 176.24 1kee h LEU 415 N 3.08 1.10 -3.43 3.45 3.38 -2.00 -2.83 115.31 118.06 1kee h LEU 415 Ca -0.48 -0.17 -0.37 0.00 0.09 0.00 0.00 57.88 56.95 1kee h LEU 415 Cb 1.19 -0.29 -0.22 0.00 0.09 0.00 0.00 40.66 41.43 1kee h LEU 415 CO 0.65 0.97 0.47 -0.90 0.09 0.00 0.00 178.44 179.73 1kee n ASP 416 N -4.28 3.67 -4.66 -0.43 3.85 -1.26 -4.86 116.55 108.57 1kee n ASP 416 Ca 0.07 -3.15 -0.37 0.00 -0.71 0.00 0.00 54.79 50.64 1kee n ASP 416 Cb 0.19 -0.75 -0.09 0.00 -1.35 0.00 0.00 41.12 39.11 1kee n ASP 416 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1kee s ASP 417 N -0.63 6.14 0.48 -1.12 3.68 -1.07 -4.96 116.67 119.17 1kee s ASP 417 Ca 0.41 0.14 0.20 0.00 2.13 0.00 0.00 52.55 55.43 1kee s ASP 417 Cb 0.34 -2.11 1.19 0.00 -1.45 0.00 0.00 42.92 40.89 1kee s ASP 417 CO 0.07 0.06 2.01 1.55 0.13 0.00 0.00 175.17 179.00 1kee h PRO 418 N 7.48 0.00 -0.32 4.34 0.13 -1.90 -2.20 132.00 139.52 1kee h PRO 418 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1kee h PRO 418 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1kee h PRO 418 CO 0.66 0.17 0.00 0.39 -0.23 0.00 0.00 178.00 178.99 1kee n GLU 419 N -3.98 2.35 -0.08 0.86 1.02 -1.26 -4.59 120.64 114.96 1kee n GLU 419 Ca -0.02 -2.15 -0.07 0.00 -0.02 0.00 0.00 57.16 54.90 1kee n GLU 419 Cb 0.26 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1kee n GLU 419 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kee h ALA 420 N 4.14 -0.09 -0.69 0.62 0.00 -1.71 -0.90 119.26 120.63 1kee h ALA 420 Ca 0.00 0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1kee h ALA 420 Cb 0.93 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1kee h ALA 420 CO 0.00 -0.66 0.47 -0.07 0.00 0.00 0.00 179.25 178.99 1kee h LEU 421 N -0.22 0.20 -0.35 0.00 3.38 -1.81 0.55 115.31 117.06 1kee h LEU 421 Ca 0.16 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 1kee h LEU 421 Cb 0.48 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1kee h LEU 421 CO -0.45 0.10 -0.57 0.74 0.09 0.00 0.00 178.44 178.35 1kee h THR 422 N 0.21 1.29 -0.21 0.22 2.02 -1.49 -1.35 112.91 113.60 1kee h THR 422 Ca 0.33 -1.78 -0.10 0.00 0.77 0.00 0.00 66.41 65.63 1kee h THR 422 Cb 1.01 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1kee h THR 422 CO -0.07 0.57 -0.25 0.11 0.37 0.00 0.00 175.52 176.26 1kee h LYS 423 N 0.58 0.54 -0.24 6.66 1.57 -0.63 -2.67 116.57 122.39 1kee h LYS 423 Ca 0.01 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.51 1kee h LYS 423 Cb 1.17 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 1kee h LYS 423 CO 0.12 0.89 0.07 0.82 -0.57 0.00 0.00 179.45 180.79 1kee h ILE 424 N 0.22 0.93 -0.55 1.86 2.04 -0.96 -1.58 117.51 119.46 1kee h ILE 424 Ca 0.03 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 65.93 1kee h ILE 424 Cb 0.81 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 1kee h ILE 424 CO 0.06 0.03 0.03 -0.09 0.00 0.00 0.00 178.15 178.18 1kee h ARG 425 N 0.18 0.14 -0.52 2.37 2.43 -1.17 -0.72 114.38 117.09 1kee h ARG 425 Ca 0.11 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1kee h ARG 425 Cb 0.08 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1kee h ARG 425 CO -0.12 0.09 0.26 -0.09 -1.51 0.00 0.00 179.97 178.61 1kee h ARG 426 N 0.14 0.74 0.00 0.20 1.12 -1.10 0.66 114.38 116.15 1kee h ARG 426 Ca 0.28 -0.10 -0.04 0.00 -1.11 0.00 0.00 59.98 59.01 1kee h ARG 426 Cb 0.43 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 1kee h ARG 426 CO -0.44 0.60 -0.17 0.93 -3.11 0.00 0.00 179.97 177.78 1kee h GLU 427 N 0.69 0.00 0.03 0.20 4.39 -0.30 0.15 114.58 119.75 1kee h GLU 427 Ca 0.18 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 1kee h GLU 427 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1kee h GLU 427 CO -0.03 0.17 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.76 1kee h LEU 428 N 0.00 0.10 0.09 1.33 4.07 -0.69 -3.26 115.31 116.95 1kee h LEU 428 Ca -0.00 -0.98 -0.00 0.00 0.08 0.00 0.00 57.88 56.97 1kee h LEU 428 Cb 0.36 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1kee h LEU 428 CO 0.02 1.07 -0.04 0.50 -1.08 0.00 0.00 178.44 178.91 1kee h LYS 429 N -0.86 -0.11 -3.54 1.13 3.64 -0.68 -3.36 116.57 112.78 1kee h LYS 429 Ca -0.03 0.01 -0.68 0.00 -1.27 0.00 0.00 60.65 58.68 1kee h LYS 429 Cb 1.13 0.03 -0.37 0.00 -0.41 0.00 0.00 32.23 32.60 1kee h LYS 429 CO 0.03 0.06 -0.44 -0.51 -2.27 0.00 0.00 179.45 176.32 1kee s ASP 430 N -5.23 4.97 0.09 4.20 1.11 0.50 -4.89 116.67 117.42 1kee s ASP 430 Ca -0.14 -2.90 -0.36 0.00 0.18 0.00 0.00 52.55 49.33 1kee s ASP 430 Cb 0.04 -1.79 -0.16 0.00 1.07 0.00 0.00 42.92 42.09 1kee s ASP 430 CO 0.65 -0.33 1.45 0.00 1.18 0.00 0.00 175.17 178.12 1kee n ALA 431 N 3.37 -0.15 -3.93 5.23 0.00 -1.23 -4.52 120.51 119.28 1kee n ALA 431 Ca 0.07 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1kee n ALA 431 Cb 0.36 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1kee n ALA 431 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 432 N 2.92 4.42 0.27 0.00 0.00 -1.26 -0.97 105.19 110.58 1kee n GLY 432 Ca 0.18 -2.20 0.17 0.00 0.00 0.00 0.00 46.02 44.17 1kee n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee h ALA 433 N 1.00 1.00 -0.33 4.61 0.00 -1.96 -3.13 119.26 120.45 1kee h ALA 433 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kee h ALA 433 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1kee h ALA 433 CO 0.00 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 1kee n ASP 434 N -3.12 3.06 -0.25 0.00 8.00 -1.26 -4.67 116.55 118.31 1kee n ASP 434 Ca 0.01 -1.94 0.04 0.00 0.71 0.00 0.00 54.79 53.61 1kee n ASP 434 Cb 0.32 -0.21 0.15 0.00 -0.02 0.00 0.00 41.12 41.36 1kee n ASP 434 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1kee h ARG 435 N 4.01 0.11 -0.99 -1.24 2.43 -1.83 -2.02 114.38 114.85 1kee h ARG 435 Ca 0.00 -0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.36 1kee h ARG 435 Cb 0.88 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.30 1kee h ARG 435 CO 0.00 0.07 0.59 0.97 -1.51 0.00 0.00 179.97 180.10 1kee h ILE 436 N 0.12 0.68 -0.12 1.20 6.09 -1.88 0.23 117.51 123.83 1kee h ILE 436 Ca 0.40 -0.25 -0.20 0.00 -1.37 0.00 0.00 64.86 63.44 1kee h ILE 436 Cb 0.69 -0.11 0.00 0.00 0.47 0.00 0.00 36.82 37.87 1kee h ILE 436 CO -0.63 0.13 -0.73 -0.50 -3.07 0.00 0.00 178.15 173.36 1kee h TRP 437 N 0.73 0.76 0.00 2.19 6.55 -1.72 -2.88 115.95 121.58 1kee h TRP 437 Ca 0.58 -0.33 0.00 0.00 0.95 0.00 0.00 58.89 60.09 1kee h TRP 437 Cb 0.92 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 29.10 1kee h TRP 437 CO -0.01 1.11 0.00 1.88 -1.05 0.00 0.00 178.44 180.37 1kee h TYR 438 N 0.39 0.00 -0.09 0.49 -1.99 -0.83 -1.97 116.97 112.97 1kee h TYR 438 Ca -0.03 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.46 1kee h TYR 438 Cb 1.32 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.06 1kee h TYR 438 CO 0.06 0.00 -0.88 0.82 -0.00 0.00 0.00 178.16 178.16 1kee h ILE 439 N 0.00 1.29 -0.44 -2.88 2.04 -0.81 -1.83 117.51 114.87 1kee h ILE 439 Ca 0.00 -2.10 -0.12 0.00 1.00 0.00 0.00 64.86 63.64 1kee h ILE 439 Cb 0.32 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1kee h ILE 439 CO 0.00 0.66 -0.21 0.00 0.00 0.00 0.00 178.15 178.59 1kee h ALA 440 N 0.53 0.79 -0.51 1.87 0.00 -1.42 -2.52 119.26 118.00 1kee h ALA 440 Ca -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1kee h ALA 440 Cb 1.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1kee h ALA 440 CO 0.18 0.65 0.24 -0.44 0.00 0.00 0.00 179.25 179.88 1kee h ASP 441 N 0.77 0.64 -0.71 0.00 3.45 -1.30 -1.65 116.42 117.63 1kee h ASP 441 Ca 0.10 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 1kee h ASP 441 Cb 0.76 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 1kee h ASP 441 CO 0.06 0.55 0.41 0.00 -1.57 0.00 0.00 179.24 178.70 1kee h ALA 442 N 1.55 0.91 -0.04 3.45 0.00 -0.89 0.79 119.26 125.03 1kee h ALA 442 Ca 0.18 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1kee h ALA 442 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1kee h ALA 442 CO -0.02 0.40 -0.54 0.74 0.00 0.00 0.00 179.25 179.83 1kee h PHE 443 N 0.98 0.15 -0.05 0.00 0.04 -1.22 -0.98 116.94 115.85 1kee h PHE 443 Ca 0.25 -0.05 -0.14 0.00 2.80 0.00 0.00 57.97 60.83 1kee h PHE 443 Cb -0.00 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1kee h PHE 443 CO -0.01 0.64 -0.59 0.00 -0.60 0.00 0.00 178.31 177.75 1kee h ARG 444 N 0.10 0.18 -0.00 1.51 3.08 -0.61 -3.01 114.38 115.62 1kee h ARG 444 Ca -0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1kee h ARG 444 Cb 0.98 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1kee h ARG 444 CO 0.08 0.71 -0.03 0.00 -1.07 0.00 0.00 179.97 179.66 1kee n ALA 445 N -2.46 2.64 -0.06 0.04 0.00 0.21 -4.94 120.51 115.94 1kee n ALA 445 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1kee n ALA 445 Cb 0.60 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1kee n ALA 445 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 446 N 1.18 0.85 3.80 0.00 0.00 -0.89 -5.02 105.19 105.10 1kee n GLY 446 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1kee n GLY 446 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kee s LEU 447 N 0.00 4.34 0.74 0.99 1.43 -0.42 -5.02 118.68 120.74 1kee s LEU 447 Ca 0.00 1.65 -0.07 0.00 -1.03 0.00 0.00 54.13 54.68 1kee s LEU 447 Cb 0.00 -3.82 0.09 0.00 0.03 0.00 0.00 46.19 42.49 1kee s LEU 447 CO 0.00 -0.02 1.05 -0.94 0.23 0.00 0.00 176.35 176.67 1kee s SER 448 N -1.62 4.54 0.21 2.29 1.04 -1.26 -4.33 113.70 114.56 1kee s SER 448 Ca 0.47 0.30 -0.09 0.00 0.48 0.00 0.00 55.95 57.11 1kee s SER 448 Cb -0.18 -0.84 0.15 0.00 0.10 0.00 0.00 66.02 65.25 1kee s SER 448 CO 0.23 -1.77 1.81 0.58 0.98 0.00 0.00 173.24 175.06 1kee h VAL 449 N -0.71 1.24 -0.61 5.02 2.07 -1.97 -0.31 116.25 120.99 1kee h VAL 449 Ca -0.43 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.35 1kee h VAL 449 Cb 1.30 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1kee h VAL 449 CO 0.54 0.28 0.01 0.44 0.02 0.00 0.00 177.57 178.86 1kee h ASP 450 N 1.08 1.03 -0.65 0.57 3.45 -1.99 0.40 116.42 120.30 1kee h ASP 450 Ca 0.27 -0.28 -0.04 0.00 0.43 0.00 0.00 57.03 57.40 1kee h ASP 450 Cb 0.09 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.55 1kee h ASP 450 CO -0.04 1.07 0.24 1.23 -1.57 0.00 0.00 179.24 180.18 1kee h GLY 451 N 1.00 1.06 1.25 2.75 0.00 -1.82 -1.27 103.07 106.05 1kee h GLY 451 Ca 0.17 -0.59 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1kee h GLY 451 CO 0.03 0.56 -0.17 -2.08 0.00 0.00 0.00 176.54 174.87 1kee h VAL 452 N 0.93 1.27 -0.22 4.60 2.07 -0.76 -2.96 116.25 121.17 1kee h VAL 452 Ca 0.22 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1kee h VAL 452 Cb 0.23 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1kee h VAL 452 CO -0.01 0.44 0.03 0.15 0.02 0.00 0.00 177.57 178.20 1kee h PHE 453 N 0.77 0.05 -0.58 1.57 3.04 -0.54 -0.53 116.94 120.71 1kee h PHE 453 Ca 0.11 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.11 1kee h PHE 453 Cb 0.70 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.19 1kee h PHE 453 CO 0.04 0.00 0.39 -0.91 -2.02 0.00 0.00 178.31 175.81 1kee h ASN 454 N 0.11 0.58 0.34 0.41 2.35 -1.20 1.57 115.58 119.75 1kee h ASN 454 Ca 0.10 -0.01 -0.33 0.00 -0.55 0.00 0.00 56.30 55.52 1kee h ASN 454 Cb 0.11 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 38.37 1kee h ASN 454 CO -0.15 0.40 -1.51 -0.07 -1.65 0.00 0.00 177.43 174.45 1kee h LEU 455 N 0.67 0.66 0.00 1.61 3.38 -1.25 -3.40 115.31 116.98 1kee h LEU 455 Ca 0.23 -0.78 -0.06 0.00 0.09 0.00 0.00 57.88 57.36 1kee h LEU 455 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1kee h LEU 455 CO -0.06 1.63 -1.98 0.35 0.09 0.00 0.00 178.44 178.47 1kee n THR 456 N -3.62 0.23 -1.19 0.22 -2.24 -0.26 -4.18 114.28 103.25 1kee n THR 456 Ca -0.17 -0.52 -0.07 0.00 -2.27 0.00 0.00 64.05 61.02 1kee n THR 456 Cb 1.08 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 1kee n THR 456 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1kee n ASN 457 N -2.29 -5.01 -4.73 3.42 4.13 0.53 -4.67 115.26 106.65 1kee n ASN 457 Ca -0.09 0.16 -0.41 0.00 1.68 0.00 0.00 54.58 55.93 1kee n ASN 457 Cb 0.63 -3.09 -0.05 0.00 -1.54 0.00 0.00 39.78 35.73 1kee n ASN 457 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1kee s ILE 458 N -1.84 4.65 0.20 2.41 1.01 -1.26 -4.62 121.20 121.74 1kee s ILE 458 Ca 0.00 1.86 -0.32 0.00 0.00 0.00 0.00 60.65 62.20 1kee s ILE 458 Cb 0.00 -4.23 -0.15 0.00 0.01 0.00 0.00 42.46 38.09 1kee s ILE 458 CO 0.00 0.32 1.13 -0.67 0.00 0.00 0.00 174.94 175.72 1kee n ASP 459 N 2.92 1.34 0.30 3.58 2.03 -1.26 -4.74 116.55 120.72 1kee n ASP 459 Ca 0.00 1.15 0.16 0.00 0.52 0.00 0.00 54.79 56.63 1kee n ASP 459 Cb 0.50 -1.23 0.97 0.00 -0.72 0.00 0.00 41.12 40.63 1kee n ASP 459 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1kee h ARG 460 N 3.07 0.00 -0.88 -0.67 3.08 -1.95 -1.08 114.38 115.96 1kee h ARG 460 Ca -0.42 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.70 1kee h ARG 460 Cb 1.34 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.33 1kee h ARG 460 CO 0.68 0.01 0.57 2.35 -1.07 0.00 0.00 179.97 182.51 1kee h TRP 461 N 0.00 0.99 0.05 3.04 7.01 -2.01 -1.72 115.95 123.31 1kee h TRP 461 Ca -0.00 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.95 1kee h TRP 461 Cb 0.02 -0.33 0.01 0.00 -2.10 0.00 0.00 29.16 26.76 1kee h TRP 461 CO 0.00 0.52 -0.33 0.74 -2.79 0.00 0.00 178.44 176.57 1kee h PHE 462 N 0.97 0.24 -0.66 2.65 0.04 -1.55 -3.35 116.94 115.28 1kee h PHE 462 Ca 0.38 -0.17 0.12 0.00 2.80 0.00 0.00 57.97 61.10 1kee h PHE 462 Cb 0.22 -0.01 -0.09 0.00 2.20 0.00 0.00 35.95 38.27 1kee h PHE 462 CO -0.00 1.11 0.21 -0.07 -0.60 0.00 0.00 178.31 178.95 1kee h LEU 463 N -0.70 0.15 -1.80 1.54 3.38 -1.26 -0.68 115.31 115.94 1kee h LEU 463 Ca -0.06 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1kee h LEU 463 Cb 1.24 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1kee h LEU 463 CO 0.06 0.07 -0.01 -0.37 0.09 0.00 0.00 178.44 178.28 1kee h VAL 464 N 0.36 1.06 -0.43 1.22 -1.51 -1.49 -0.70 116.25 114.76 1kee h VAL 464 Ca 0.35 -0.25 -0.09 0.00 -1.23 0.00 0.00 66.70 65.48 1kee h VAL 464 Cb 0.51 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1kee h VAL 464 CO -0.38 0.08 -0.09 1.56 -1.23 0.00 0.00 177.57 177.50 1kee h GLN 465 N 0.11 0.82 -0.33 5.19 4.20 -1.27 -1.00 115.11 122.84 1kee h GLN 465 Ca 0.03 -0.31 -0.08 0.00 0.06 0.00 0.00 58.65 58.34 1kee h GLN 465 Cb 0.10 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1kee h GLN 465 CO 0.00 0.93 -0.12 0.82 -0.67 0.00 0.00 178.83 179.80 1kee h ILE 466 N 0.65 1.28 -0.66 2.54 2.04 -0.99 -2.86 117.51 119.52 1kee h ILE 466 Ca 0.11 -1.20 0.07 0.00 1.00 0.00 0.00 64.86 64.84 1kee h ILE 466 Cb 0.62 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 1kee h ILE 466 CO 0.04 0.39 0.33 -0.08 0.00 0.00 0.00 178.15 178.83 1kee h GLU 467 N 0.44 0.58 -0.45 2.37 4.81 -0.94 -1.42 114.58 119.96 1kee h GLU 467 Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1kee h GLU 467 Cb 0.63 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1kee h GLU 467 CO 0.04 0.38 0.19 1.49 -0.73 0.00 0.00 179.01 180.39 1kee h GLU 468 N 0.60 0.63 -0.50 1.92 4.81 -1.08 -1.07 114.58 119.89 1kee h GLU 468 Ca 0.31 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1kee h GLU 468 Cb 0.27 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1kee h GLU 468 CO -0.23 0.51 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.35 1kee h LEU 469 N 0.63 1.00 -0.15 1.64 3.38 -1.09 -1.25 115.31 119.48 1kee h LEU 469 Ca 0.16 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1kee h LEU 469 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1kee h LEU 469 CO -0.02 1.14 0.08 0.58 0.09 0.00 0.00 178.44 180.31 1kee h VAL 470 N 0.85 1.12 -0.77 1.22 2.07 -0.51 -0.94 116.25 119.29 1kee h VAL 470 Ca 0.12 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.43 1kee h VAL 470 Cb 0.72 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1kee h VAL 470 CO 0.06 0.11 0.38 0.03 0.02 0.00 0.00 177.57 178.16 1kee h ARG 471 N 0.13 0.59 -0.52 1.57 2.47 -1.09 0.11 114.38 117.64 1kee h ARG 471 Ca 0.05 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1kee h ARG 471 Cb 0.10 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 1kee h ARG 471 CO -0.01 0.39 0.10 -0.07 0.56 0.00 0.00 179.97 180.94 1kee h LEU 472 N 0.60 0.76 -0.42 3.04 3.38 -0.82 -2.75 115.31 119.10 1kee h LEU 472 Ca 0.40 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1kee h LEU 472 Cb 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1kee h LEU 472 CO -0.31 0.76 -0.05 -0.33 0.09 0.00 0.00 178.44 178.60 1kee h GLU 473 N 0.77 0.77 -0.73 1.13 5.08 0.48 -1.96 114.58 120.13 1kee h GLU 473 Ca 0.17 -0.27 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1kee h GLU 473 Cb 0.32 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1kee h GLU 473 CO 0.00 0.87 0.48 0.93 -1.00 0.00 0.00 179.01 180.29 1kee h GLU 474 N 0.59 0.75 -0.40 2.33 5.08 -0.63 -0.10 114.58 122.19 1kee h GLU 474 Ca 0.11 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1kee h GLU 474 Cb 0.56 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1kee h GLU 474 CO 0.03 0.49 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.06 1kee h LYS 475 N 0.77 0.88 -0.94 2.33 3.64 -1.23 -1.14 116.57 120.88 1kee h LYS 475 Ca 0.31 -0.41 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1kee h LYS 475 Cb 0.25 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1kee h LYS 475 CO -0.10 1.06 0.62 0.28 -2.27 0.00 0.00 179.45 179.03 1kee h VAL 476 N 0.69 1.25 -0.53 2.00 2.07 -0.51 0.12 116.25 121.33 1kee h VAL 476 Ca 0.08 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 1kee h VAL 476 Cb 0.83 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1kee h VAL 476 CO 0.07 0.24 0.01 0.00 0.02 0.00 0.00 177.57 177.91 1kee h ALA 477 N 1.34 1.02 -0.02 1.67 0.00 -0.73 -0.89 119.26 121.65 1kee h ALA 477 Ca 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1kee h ALA 477 Cb -0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1kee h ALA 477 CO -0.07 0.61 -0.03 1.49 0.00 0.00 0.00 179.25 181.25 1kee h GLU 478 N 0.83 0.05 0.00 0.00 4.81 -0.24 -3.31 114.58 116.71 1kee h GLU 478 Ca 0.16 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1kee h GLU 478 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1kee h GLU 478 CO 0.02 0.58 -0.27 -0.39 -0.73 0.00 0.00 179.01 178.22 1kee h VAL 479 N -0.48 0.50 -1.83 0.32 -1.51 -0.83 -3.50 116.25 108.92 1kee h VAL 479 Ca 0.00 -1.56 0.03 0.00 -1.23 0.00 0.00 66.70 63.94 1kee h VAL 479 Cb 0.58 2.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 1kee h VAL 479 CO 0.01 0.27 -0.03 0.61 -1.23 0.00 0.00 177.57 177.19 1kee n GLY 480 N 0.92 -1.13 0.32 5.19 0.00 -0.34 -2.53 105.19 107.63 1kee n GLY 480 Ca 0.02 -1.06 0.16 0.00 0.00 0.00 0.00 46.02 45.14 1kee n GLY 480 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1kee h ILE 481 N -0.09 0.62 -0.27 -0.61 2.10 -1.84 -1.41 117.51 116.02 1kee h ILE 481 Ca 0.00 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.85 1kee h ILE 481 Cb 0.09 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 36.68 1kee h ILE 481 CO 0.00 0.00 -0.22 0.74 -1.08 0.00 0.00 178.15 177.59 1kee h THR 482 N 0.00 1.26 0.00 2.19 2.02 -1.97 -2.47 112.91 113.93 1kee h THR 482 Ca 0.08 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1kee h THR 482 Cb 0.39 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1kee h THR 482 CO -0.00 0.39 0.00 0.61 0.37 0.00 0.00 175.52 176.89 1kee n GLY 483 N -0.43 -1.35 2.28 2.16 0.00 -0.53 -4.38 105.19 102.95 1kee n GLY 483 Ca -0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1kee n GLY 483 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kee n LEU 484 N -1.45 5.46 -4.55 0.99 4.77 -0.93 -4.86 117.00 116.43 1kee n LEU 484 Ca 0.08 -3.11 -0.28 0.00 -0.03 0.00 0.00 56.01 52.67 1kee n LEU 484 Cb 0.28 -1.22 0.23 0.00 -2.33 0.00 0.00 43.42 40.39 1kee n LEU 484 CO 0.23 1.28 0.56 0.54 -1.33 0.00 0.00 177.39 178.68 1kee s ASN 485 N 2.50 1.38 0.20 -1.43 2.20 -1.26 -4.65 114.94 113.88 1kee s ASN 485 Ca 0.53 1.29 -0.11 0.00 -0.94 0.00 0.00 52.86 53.63 1kee s ASN 485 Cb 0.20 -2.00 0.13 0.00 -2.00 0.00 0.00 41.25 37.58 1kee s ASN 485 CO -0.02 -3.92 1.87 0.00 -2.94 0.00 0.00 177.10 172.08 1kee h ALA 486 N -2.43 0.88 0.09 3.54 0.00 -1.98 -0.77 119.26 118.58 1kee h ALA 486 Ca -0.58 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 1kee h ALA 486 Cb 1.34 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1kee h ALA 486 CO 0.52 0.31 -0.04 -0.44 0.00 0.00 0.00 179.25 179.60 1kee h ASP 487 N 0.94 -0.10 -0.29 0.00 3.32 -1.97 -0.20 116.42 118.12 1kee h ASP 487 Ca 0.25 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1kee h ASP 487 Cb -0.10 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1kee h ASP 487 CO -0.05 -0.03 0.07 0.15 -1.72 0.00 0.00 179.24 177.66 1kee h PHE 488 N -0.17 0.50 -0.91 4.55 3.57 -1.87 -1.30 116.94 121.31 1kee h PHE 488 Ca -0.01 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.44 1kee h PHE 488 Cb 0.13 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1kee h PHE 488 CO -0.06 0.55 0.60 1.25 -2.23 0.00 0.00 178.31 178.42 1kee h LEU 489 N 0.31 1.03 -0.71 0.59 5.85 -1.09 0.30 115.31 121.59 1kee h LEU 489 Ca 0.09 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1kee h LEU 489 Cb 0.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1kee h LEU 489 CO 0.00 0.74 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.64 1kee h ARG 490 N 1.22 0.87 -0.27 1.25 2.43 -0.91 0.32 114.38 119.28 1kee h ARG 490 Ca 0.34 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1kee h ARG 490 Cb -0.12 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1kee h ARG 490 CO -0.08 0.94 0.16 0.37 -1.51 0.00 0.00 179.97 179.85 1kee h GLN 491 N 0.78 0.37 -0.54 0.20 4.15 0.25 -0.99 115.11 119.34 1kee h GLN 491 Ca 0.13 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.56 1kee h GLN 491 Cb 0.63 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 1kee h GLN 491 CO 0.04 0.31 0.27 -0.07 -1.93 0.00 0.00 178.83 177.45 1kee h LEU 492 N 0.34 0.37 -0.84 -2.39 3.38 -0.12 -2.02 115.31 114.03 1kee h LEU 492 Ca 0.10 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1kee h LEU 492 Cb 0.03 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1kee h LEU 492 CO -0.02 0.25 0.48 0.11 0.09 0.00 0.00 178.44 179.36 1kee h LYS 493 N 0.51 1.15 0.00 1.13 1.79 -0.53 -1.77 116.57 118.85 1kee h LYS 493 Ca 0.24 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1kee h LYS 493 Cb 0.16 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1kee h LYS 493 CO -0.18 0.83 -0.02 0.00 -1.08 0.00 0.00 179.45 179.00 1kee h ARG 494 N 1.16 0.00 -0.24 3.15 3.08 -0.48 0.14 114.38 121.19 1kee h ARG 494 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1kee h ARG 494 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1kee h ARG 494 CO -0.05 0.02 0.00 1.63 -1.07 0.00 0.00 179.97 180.50 1kee n LYS 495 N -3.95 1.79 -0.96 0.04 4.76 -0.70 -4.48 118.16 114.65 1kee n LYS 495 Ca -0.03 -1.20 0.00 0.00 -2.87 0.00 0.00 58.31 54.21 1kee n LYS 495 Cb 0.10 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1kee n LYS 495 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kee n GLY 496 N 1.12 0.47 3.74 0.72 0.00 0.50 -3.40 105.19 108.34 1kee n GLY 496 Ca 0.15 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1kee n GLY 496 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kee s PHE 497 N -2.00 2.94 0.47 1.61 0.08 -0.98 -4.50 117.98 115.60 1kee s PHE 497 Ca 0.00 0.92 -0.16 0.00 0.12 0.00 0.00 56.93 57.81 1kee s PHE 497 Cb 0.00 -3.90 -0.08 0.00 -0.57 0.00 0.00 43.02 38.46 1kee s PHE 497 CO 0.00 -3.01 0.92 0.00 -0.10 0.00 0.00 175.22 173.03 1kee s ALA 498 N 0.09 3.13 0.37 5.36 0.00 -1.26 -4.63 121.76 124.82 1kee s ALA 498 Ca 0.61 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.76 1kee s ALA 498 Cb -0.44 -3.03 0.70 0.00 0.00 0.00 0.00 23.12 20.36 1kee s ALA 498 CO 0.44 -0.09 2.03 -0.44 0.00 0.00 0.00 175.76 177.69 1kee h ASP 499 N 1.25 0.65 -0.31 0.00 3.45 -1.93 -2.06 116.42 117.48 1kee h ASP 499 Ca -0.47 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 56.90 1kee h ASP 499 Cb 1.18 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.77 1kee h ASP 499 CO 0.62 0.47 -0.05 0.00 -1.57 0.00 0.00 179.24 178.71 1kee h ALA 500 N 1.65 1.14 0.03 3.45 0.00 -1.91 0.07 119.26 123.68 1kee h ALA 500 Ca 0.21 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1kee h ALA 500 Cb -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1kee h ALA 500 CO -0.05 0.55 -0.01 -0.09 0.00 0.00 0.00 179.25 179.65 1kee h ARG 501 N 0.65 -0.04 -0.89 0.00 9.65 -1.69 -2.29 114.38 119.77 1kee h ARG 501 Ca 0.12 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 1kee h ARG 501 Cb 0.48 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 1kee h ARG 501 CO 0.02 0.47 0.58 -0.07 2.80 0.00 0.00 179.97 183.77 1kee h LEU 502 N -0.57 0.95 -0.90 3.80 3.38 -1.34 -1.65 115.31 118.98 1kee h LEU 502 Ca -0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1kee h LEU 502 Cb 0.53 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1kee h LEU 502 CO 0.01 0.64 0.29 0.00 0.09 0.00 0.00 178.44 179.47 1kee h ALA 503 N 1.38 1.12 -0.35 1.53 0.00 -0.96 -0.15 119.26 121.84 1kee h ALA 503 Ca 0.36 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1kee h ALA 503 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1kee h ALA 503 CO -0.13 0.63 -0.23 0.87 0.00 0.00 0.00 179.25 180.39 1kee h LYS 504 N 1.06 0.68 -0.33 0.00 1.57 -0.77 0.27 116.57 119.05 1kee h LYS 504 Ca 0.25 -0.27 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 1kee h LYS 504 Cb 0.21 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1kee h LYS 504 CO -0.02 0.86 -0.44 -0.07 -0.57 0.00 0.00 179.45 179.20 1kee h LEU 505 N 0.60 0.97 -0.04 2.94 3.38 -0.88 -3.09 115.31 119.19 1kee h LEU 505 Ca 0.08 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1kee h LEU 505 Cb 0.71 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1kee h LEU 505 CO 0.05 1.27 -0.03 0.00 0.09 0.00 0.00 178.44 179.83 1kee n ALA 506 N -2.55 2.54 -3.23 1.53 0.00 -0.11 -4.37 120.51 114.32 1kee n ALA 506 Ca -0.03 -0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 1kee n ALA 506 Cb 0.57 -1.46 0.06 0.00 0.00 0.00 0.00 19.45 18.63 1kee n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 507 N 1.31 -0.18 1.74 0.00 0.00 0.07 -4.35 105.19 103.78 1kee n GLY 507 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1kee n GLY 507 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1kee n VAL 508 N -3.98 0.00 -3.37 1.61 0.24 0.73 -5.03 118.33 108.54 1kee n VAL 508 Ca -0.09 -1.27 -0.34 0.00 -2.04 0.00 0.00 64.34 60.60 1kee n VAL 508 Cb 0.58 0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 33.43 1kee n VAL 508 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1kee s ARG 509 N -2.78 3.91 0.48 7.34 0.52 -1.26 -4.32 118.95 122.84 1kee s ARG 509 Ca 0.15 0.42 0.18 0.00 -0.52 0.00 0.00 55.73 55.96 1kee s ARG 509 Cb 0.01 -2.79 1.20 0.00 0.52 0.00 0.00 34.95 33.88 1kee s ARG 509 CO 0.11 0.40 2.02 1.49 0.02 0.00 0.00 175.30 179.33 1kee h GLU 510 N 3.09 0.19 0.00 3.54 4.81 -1.90 0.35 114.58 124.66 1kee h GLU 510 Ca -0.48 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1kee h GLU 510 Cb 1.18 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1kee h GLU 510 CO 0.67 0.12 -0.05 0.00 -0.73 0.00 0.00 179.01 179.03 1kee h ALA 511 N 1.77 1.00 -0.41 2.92 0.00 -1.92 -2.51 119.26 120.10 1kee h ALA 511 Ca 0.21 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1kee h ALA 511 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1kee h ALA 511 CO -0.04 0.06 -0.33 0.93 0.00 0.00 0.00 179.25 179.88 1kee h GLU 512 N 0.00 0.92 -0.53 0.00 5.08 -0.68 -0.38 114.58 119.00 1kee h GLU 512 Ca -0.00 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 57.79 1kee h GLU 512 Cb 0.66 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1kee h GLU 512 CO 0.01 1.10 -0.15 0.82 -1.00 0.00 0.00 179.01 179.79 1kee h ILE 513 N 0.77 1.27 -0.59 3.13 1.08 -1.46 -0.58 117.51 121.12 1kee h ILE 513 Ca 0.08 -1.32 -0.08 0.00 -0.39 0.00 0.00 64.86 63.15 1kee h ILE 513 Cb 0.91 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 1kee h ILE 513 CO 0.08 0.46 0.05 -0.09 -0.69 0.00 0.00 178.15 177.97 1kee h ARG 514 N 0.90 0.98 -0.13 2.37 2.43 -1.33 -0.22 114.38 119.38 1kee h ARG 514 Ca 0.13 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1kee h ARG 514 Cb 0.73 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1kee h ARG 514 CO 0.06 0.93 0.07 0.87 -1.51 0.00 0.00 179.97 180.39 1kee h LYS 515 N 0.92 0.18 -0.80 0.20 1.57 -0.68 -1.94 116.57 116.01 1kee h LYS 515 Ca 0.18 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.09 1kee h LYS 515 Cb 0.46 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.63 1kee h LYS 515 CO 0.02 0.20 0.33 1.25 -0.57 0.00 0.00 179.45 180.68 1kee h LEU 516 N 0.11 0.32 -0.77 2.94 5.85 -0.66 0.08 115.31 123.17 1kee h LEU 516 Ca 0.04 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1kee h LEU 516 Cb 0.08 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1kee h LEU 516 CO -0.01 0.10 -0.04 0.03 -0.34 0.00 0.00 178.44 178.19 1kee h ARG 517 N 0.46 0.90 -0.66 1.25 3.08 -0.62 -1.91 114.38 116.88 1kee h ARG 517 Ca 0.45 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 1kee h ARG 517 Cb 0.71 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1kee h ARG 517 CO -0.42 0.92 0.15 -0.44 -1.07 0.00 0.00 179.97 179.10 1kee h ASP 518 N 0.82 0.99 0.50 7.04 3.32 -0.29 0.76 116.42 129.56 1kee h ASP 518 Ca 0.15 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1kee h ASP 518 Cb 0.54 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1kee h ASP 518 CO 0.03 0.96 -0.38 -0.61 -1.72 0.00 0.00 179.24 177.52 1kee h GLN 519 N 1.00 -0.84 0.00 3.56 4.15 -0.69 -2.21 115.11 120.07 1kee h GLN 519 Ca 0.21 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1kee h GLN 519 Cb 0.36 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1kee h GLN 519 CO 0.00 -0.56 0.00 0.66 -1.93 0.00 0.00 178.83 177.01 1kee n TYR 520 N -5.50 0.00 -3.16 3.99 4.01 -0.76 -4.85 117.16 110.90 1kee n TYR 520 Ca -0.12 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.48 1kee n TYR 520 Cb 0.40 -0.42 0.06 0.00 -0.31 0.00 0.00 39.34 39.06 1kee n TYR 520 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1kee n ASP 521 N -1.42 -4.09 -4.25 7.72 4.64 0.11 -4.96 116.55 114.30 1kee n ASP 521 Ca 0.06 -0.38 -0.43 0.00 -1.38 0.00 0.00 54.79 52.65 1kee n ASP 521 Cb 0.18 -3.56 -0.05 0.00 -1.04 0.00 0.00 41.12 36.64 1kee n ASP 521 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1kee s LEU 522 N -5.15 6.20 0.14 -2.67 2.96 0.24 -5.00 118.68 115.41 1kee s LEU 522 Ca 0.28 -2.60 0.10 0.00 -0.22 0.00 0.00 54.13 51.69 1kee s LEU 522 Cb -0.12 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1kee s LEU 522 CO 0.49 -0.55 -0.23 -1.00 -1.32 0.00 0.00 176.35 173.74 1kee s HIS 523 N 0.32 2.03 0.79 5.38 3.76 -1.26 -4.64 115.29 121.67 1kee s HIS 523 Ca 0.15 -0.41 -0.12 0.00 -0.15 0.00 0.00 55.06 54.54 1kee s HIS 523 Cb -0.16 -1.07 0.07 0.00 1.11 0.00 0.00 32.58 32.53 1kee s HIS 523 CO -0.06 0.33 1.11 -1.25 -0.85 0.00 0.00 174.74 174.02 1kee s PRO 524 N -2.30 2.15 0.28 8.40 0.04 -1.26 -4.86 135.00 137.45 1kee s PRO 524 Ca 0.13 0.51 0.10 0.00 0.04 0.00 0.00 61.00 61.78 1kee s PRO 524 Cb -0.09 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1kee s PRO 524 CO 0.06 -1.55 -0.05 0.14 0.04 0.00 0.00 177.00 175.65 1kee s VAL 525 N -3.26 3.12 -0.12 -0.36 -7.23 0.21 -4.90 120.40 107.86 1kee s VAL 525 Ca 0.61 -2.05 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1kee s VAL 525 Cb -0.13 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 1kee s VAL 525 CO 0.53 -0.37 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.62 1kee s TYR 526 N -2.39 3.05 0.32 2.82 2.02 -1.26 -1.14 117.35 120.77 1kee s TYR 526 Ca 0.31 -0.09 0.09 0.00 -0.37 0.00 0.00 57.07 57.01 1kee s TYR 526 Cb -0.05 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 1kee s TYR 526 CO 0.19 0.17 0.07 0.15 -1.57 0.00 0.00 175.55 174.55 1kee s LYS 527 N -0.18 2.27 0.22 -0.62 -0.14 -0.46 -0.31 119.74 120.51 1kee s LYS 527 Ca 0.04 -1.57 0.09 0.00 -1.36 0.00 0.00 55.97 53.16 1kee s LYS 527 Cb -0.13 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 33.88 1kee s LYS 527 CO 0.02 0.18 -0.02 1.03 -0.76 0.00 0.00 175.35 175.80 1kee s ARG 528 N -3.76 2.27 0.04 1.68 0.52 -1.26 -2.22 118.95 116.22 1kee s ARG 528 Ca 0.35 -1.30 -0.22 0.00 -0.52 0.00 0.00 55.73 54.04 1kee s ARG 528 Cb -0.03 -2.21 -0.06 0.00 0.52 0.00 0.00 34.95 33.17 1kee s ARG 528 CO 0.21 0.41 0.67 0.08 0.02 0.00 0.00 175.30 176.69 1kee s VAL 529 N -2.01 4.77 0.00 3.52 1.01 0.42 -4.96 120.40 123.15 1kee s VAL 529 Ca 0.29 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1kee s VAL 529 Cb -0.08 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1kee s VAL 529 CO 0.18 0.42 0.13 -0.90 0.00 0.00 0.00 175.10 174.94 1kee n ASP 530 N 2.53 0.00 0.00 3.32 5.68 -1.26 -4.75 116.55 122.08 1kee n ASP 530 Ca -0.06 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 1kee n ASP 530 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1kee n ASP 530 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1kee n THR 531 N 0.00 0.00 -1.67 2.12 -2.24 -1.05 -4.65 114.28 106.78 1kee n THR 531 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1kee n THR 531 Cb 0.33 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.64 1kee n THR 531 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kee n ALA 533 N -0.59 -1.49 -1.05 0.00 0.00 0.12 -1.81 120.51 115.69 1kee n ALA 533 Ca 0.09 0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.69 1kee n ALA 533 Cb 0.73 -4.22 -0.01 0.00 0.00 0.00 0.00 19.45 15.96 1kee n ALA 533 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kee n ALA 534 N -4.67 -0.03 0.23 0.00 0.00 -1.26 -4.85 120.51 109.93 1kee n ALA 534 Ca -0.06 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.51 1kee n ALA 534 Cb 0.58 -1.13 0.48 0.00 0.00 0.00 0.00 19.45 19.37 1kee n ALA 534 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1kee h GLU 535 N 0.26 0.00 -4.97 0.00 4.81 -1.76 -3.43 114.58 109.48 1kee h GLU 535 Ca -0.04 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.86 1kee h GLU 535 Cb 0.74 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.93 1kee h GLU 535 CO 0.05 0.21 -0.74 -0.06 -0.73 0.00 0.00 179.01 177.73 1kee s PHE 536 N -3.66 1.01 0.72 0.92 0.40 -1.26 -5.14 117.98 110.96 1kee s PHE 536 Ca 0.01 -0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 55.65 1kee s PHE 536 Cb 0.10 -0.57 0.02 0.00 0.51 0.00 0.00 43.02 43.08 1kee s PHE 536 CO 0.63 -0.01 1.07 0.00 0.70 0.00 0.00 175.22 177.62 1kee s ALA 537 N -1.90 2.66 0.00 5.36 0.00 -1.26 -4.95 121.76 121.68 1kee s ALA 537 Ca -0.00 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1kee s ALA 537 Cb -0.06 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 1kee s ALA 537 CO 0.01 -1.27 -0.03 -0.08 0.00 0.00 0.00 175.76 174.38 1kee s THR 538 N -3.16 0.23 -1.26 0.00 -1.32 -1.26 -4.53 115.64 104.34 1kee s THR 538 Ca 0.58 -0.30 0.21 0.00 -1.21 0.00 0.00 61.69 60.98 1kee s THR 538 Cb -0.13 -0.23 -0.17 0.00 -1.51 0.00 0.00 72.50 70.45 1kee s THR 538 CO 0.54 -0.05 0.95 0.47 -2.21 0.00 0.00 174.62 174.33 1kee n ASP 539 N 2.71 1.26 -4.81 8.08 10.43 -1.25 -4.94 116.55 128.03 1kee n ASP 539 Ca -0.15 -1.13 -0.35 0.00 2.57 0.00 0.00 54.79 55.74 1kee n ASP 539 Cb 0.58 0.86 -0.06 0.00 1.84 0.00 0.00 41.12 44.34 1kee n ASP 539 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1kee s THR 540 N -2.87 4.41 -0.78 -3.53 2.01 -1.26 -5.03 115.64 108.59 1kee s THR 540 Ca 0.11 1.49 0.03 0.00 0.31 0.00 0.00 61.69 63.62 1kee s THR 540 Cb 0.17 -3.83 0.21 0.00 0.01 0.00 0.00 72.50 69.06 1kee s THR 540 CO 0.79 0.01 0.69 0.00 -0.69 0.00 0.00 174.62 175.42 1kee n ALA 541 N 0.21 3.75 -3.43 7.40 0.00 -1.26 -4.94 120.51 122.24 1kee n ALA 541 Ca 0.02 -4.62 -0.38 0.00 0.00 0.00 0.00 53.44 48.46 1kee n ALA 541 Cb 0.52 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 1kee n ALA 541 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1kee s TYR 542 N -1.70 3.37 0.34 0.00 5.04 -1.26 -1.71 117.35 121.43 1kee s TYR 542 Ca 0.29 -1.75 0.08 0.00 -2.44 0.00 0.00 57.07 53.24 1kee s TYR 542 Cb -0.01 -2.81 -0.07 0.00 0.35 0.00 0.00 41.96 39.42 1kee s TYR 542 CO -0.11 -0.85 -0.06 -1.64 -1.34 0.00 0.00 175.55 171.55 1kee s MET 543 N 1.34 1.78 0.01 4.97 -1.94 0.75 -0.44 119.30 125.76 1kee s MET 543 Ca 0.02 -1.94 -0.08 0.00 -1.71 0.00 0.00 55.69 51.98 1kee s MET 543 Cb -0.22 -1.52 0.00 0.00 2.01 0.00 0.00 34.83 35.11 1kee s MET 543 CO 0.00 0.06 0.16 1.52 -0.01 0.00 0.00 175.02 176.75 1kee s TYR 544 N -2.76 0.02 0.29 -0.03 -0.85 -0.94 -0.59 117.35 112.49 1kee s TYR 544 Ca 0.33 -0.11 -0.09 0.00 -0.52 0.00 0.00 57.07 56.67 1kee s TYR 544 Cb 0.05 -0.03 -0.07 0.00 0.38 0.00 0.00 41.96 42.29 1kee s TYR 544 CO 0.16 -0.32 0.61 -1.54 -1.52 0.00 0.00 175.55 172.94 1kee s SER 545 N -1.47 6.57 -0.01 -0.18 1.04 -1.26 -1.36 113.70 117.03 1kee s SER 545 Ca -0.14 0.94 -0.28 0.00 0.48 0.00 0.00 55.95 56.96 1kee s SER 545 Cb -0.07 -2.24 0.09 0.00 0.10 0.00 0.00 66.02 63.91 1kee s SER 545 CO 0.01 -0.18 0.79 0.28 0.98 0.00 0.00 173.24 175.12 1kee s THR 546 N -2.02 0.00 -0.98 2.02 -1.32 -0.29 -4.79 115.64 108.26 1kee s THR 546 Ca 0.48 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.81 1kee s THR 546 Cb -0.11 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.06 1kee s THR 546 CO 0.25 0.00 1.09 -0.31 -2.21 0.00 0.00 174.62 173.44 1kee s TYR 547 N -2.41 3.51 0.00 9.09 2.02 -1.26 0.66 117.35 128.96 1kee s TYR 547 Ca -0.01 -1.86 0.00 0.00 -0.37 0.00 0.00 57.07 54.82 1kee s TYR 547 Cb -0.01 -4.11 0.00 0.00 -0.40 0.00 0.00 41.96 37.44 1kee s TYR 547 CO -0.03 -1.27 0.00 -1.91 -1.57 0.00 0.00 175.55 170.77 1kee n GLU 548 N 5.21 1.95 -0.06 -0.62 2.13 -1.26 -4.85 120.64 123.13 1kee n GLU 548 Ca 0.24 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 58.02 1kee n GLU 548 Cb 0.46 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.16 1kee n GLU 548 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1kee h GLU 549 N 0.00 0.00 -6.10 5.31 4.39 -1.99 -3.43 114.58 112.76 1kee h GLU 549 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 1kee h GLU 549 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1kee h GLU 549 CO 0.00 0.00 0.11 -2.00 -1.16 0.00 0.00 179.01 175.96 1kee s GLU 550 N -2.01 4.45 -0.11 2.33 2.12 -1.26 -5.01 118.70 119.21 1kee s GLU 550 Ca -0.11 0.94 -0.04 0.00 0.36 0.00 0.00 54.97 56.12 1kee s GLU 550 Cb 0.02 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1kee s GLU 550 CO 0.17 0.11 0.04 0.00 -0.54 0.00 0.00 175.26 175.03 1kee n GLU 552 N 2.31 2.69 -0.14 0.00 1.02 0.57 -4.75 120.64 122.35 1kee n GLU 552 Ca -0.19 -1.71 -0.07 0.00 -0.02 0.00 0.00 57.16 55.17 1kee n GLU 552 Cb 0.54 -1.14 0.01 0.00 -0.02 0.00 0.00 31.44 30.83 1kee n GLU 552 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kee h ALA 553 N 1.05 0.56 -6.75 0.62 0.00 -1.94 -3.47 119.26 109.33 1kee h ALA 553 Ca 0.00 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 1kee h ALA 553 Cb 0.59 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1kee h ALA 553 CO 0.00 -0.02 -0.99 -1.71 0.00 0.00 0.00 179.25 176.53 1kee n ASN 554 N -4.80 -4.51 -4.75 0.00 4.05 -1.26 -4.89 115.26 99.10 1kee n ASN 554 Ca 0.02 -1.20 -0.36 0.00 0.45 0.00 0.00 54.58 53.48 1kee n ASN 554 Cb 0.04 -2.09 0.04 0.00 1.23 0.00 0.00 39.78 39.00 1kee n ASN 554 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1kee s PRO 555 N -6.90 2.88 0.47 1.20 0.04 -1.26 -5.00 135.00 126.43 1kee s PRO 555 Ca 0.45 1.86 -0.21 0.00 0.04 0.00 0.00 61.00 63.14 1kee s PRO 555 Cb -0.23 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1kee s PRO 555 CO 0.94 -1.29 1.03 -1.54 0.04 0.00 0.00 177.00 176.19 1kee s SER 556 N -1.59 6.46 -0.02 6.66 1.04 -1.26 -4.93 113.70 120.07 1kee s SER 556 Ca 0.78 1.93 0.13 0.00 0.48 0.00 0.00 55.95 59.27 1kee s SER 556 Cb -0.31 -2.56 -0.20 0.00 0.10 0.00 0.00 66.02 63.04 1kee s SER 556 CO 0.35 -0.70 0.29 0.35 0.98 0.00 0.00 173.24 174.51 1kee n THR 557 N -0.79 0.00 0.00 2.02 -2.24 -1.26 -4.78 114.28 107.23 1kee n THR 557 Ca 0.08 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1kee n THR 557 Cb 0.52 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1kee n THR 557 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kee n ASP 558 N -1.94 0.00 -4.96 3.42 4.64 -1.26 -4.97 116.55 111.48 1kee n ASP 558 Ca -0.02 0.29 -0.22 0.00 -1.38 0.00 0.00 54.79 53.46 1kee n ASP 558 Cb 0.34 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.46 1kee n ASP 558 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1kee s ARG 559 N -0.59 2.47 -0.11 -0.67 0.52 -1.26 -5.07 118.95 114.23 1kee s ARG 559 Ca 0.00 -0.71 -0.26 0.00 -0.52 0.00 0.00 55.73 54.24 1kee s ARG 559 Cb 0.00 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 33.01 1kee s ARG 559 CO 0.00 -0.81 0.83 -1.21 0.02 0.00 0.00 175.30 174.12 1kee s GLU 560 N -4.84 4.38 0.04 3.54 2.02 -1.26 -4.92 118.70 117.65 1kee s GLU 560 Ca 0.58 1.06 0.03 0.00 0.02 0.00 0.00 54.97 56.66 1kee s GLU 560 Cb -0.10 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 1kee s GLU 560 CO 0.39 -0.17 -0.00 0.15 0.02 0.00 0.00 175.26 175.65 1kee s LYS 561 N 1.58 2.68 -0.12 1.61 1.02 -1.26 -1.19 119.74 124.05 1kee s LYS 561 Ca 0.41 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.70 1kee s LYS 561 Cb -0.18 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1kee s LYS 561 CO 0.17 0.59 -0.14 0.42 -0.92 0.00 0.00 175.35 175.46 1kee s ILE 562 N -1.17 1.47 -0.13 2.17 -1.09 0.55 0.18 121.20 123.18 1kee s ILE 562 Ca 0.22 -0.60 -0.11 0.00 -2.23 0.00 0.00 60.65 57.92 1kee s ILE 562 Cb -0.12 -1.36 -0.05 0.00 -1.58 0.00 0.00 42.46 39.35 1kee s ILE 562 CO 0.13 0.44 0.24 -0.32 -1.23 0.00 0.00 174.94 174.20 1kee s MET 563 N 1.20 3.94 -0.16 2.79 1.75 -0.44 -0.69 119.30 127.69 1kee s MET 563 Ca -0.02 0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.46 1kee s MET 563 Cb -0.14 -3.32 0.02 0.00 2.84 0.00 0.00 34.83 34.23 1kee s MET 563 CO -0.05 0.49 -0.18 0.08 -0.65 0.00 0.00 175.02 174.71 1kee s VAL 564 N -0.28 1.88 -0.13 10.11 1.01 0.12 0.46 120.40 133.57 1kee s VAL 564 Ca 0.16 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 1kee s VAL 564 Cb -0.13 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 1kee s VAL 564 CO 0.05 0.51 0.37 -0.76 0.00 0.00 0.00 175.10 175.26 1kee s LEU 565 N 1.24 4.28 0.92 3.92 1.43 -0.95 -1.62 118.68 127.90 1kee s LEU 565 Ca 0.02 0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 53.65 1kee s LEU 565 Cb -0.13 -2.50 0.19 0.00 0.03 0.00 0.00 46.19 43.78 1kee s LEU 565 CO -0.10 0.09 1.26 -0.83 0.23 0.00 0.00 176.35 177.00 1kee s GLY 566 N 0.34 1.79 0.00 -3.19 0.00 0.97 -3.60 107.32 103.62 1kee s GLY 566 Ca 0.20 -1.38 0.24 0.00 0.00 0.00 0.00 44.72 43.78 1kee s GLY 566 CO 0.07 -0.64 1.33 0.61 0.00 0.00 0.00 173.10 174.48 1kee n GLY 567 N -3.58 1.16 7.00 0.20 0.00 -1.23 -4.44 105.19 104.30 1kee n GLY 567 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1kee n GLY 567 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 568 N 1.39 0.26 3.77 -0.02 0.00 -1.26 -4.75 105.19 104.57 1kee n GLY 568 Ca 0.16 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1kee n GLY 568 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kee s PRO 569 N 0.00 2.71 0.37 1.61 0.04 -1.26 -4.33 135.00 134.15 1kee s PRO 569 Ca 0.00 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 1kee s PRO 569 Cb 0.00 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1kee s PRO 569 CO 0.00 -1.32 0.84 -0.80 0.04 0.00 0.00 177.00 175.76 1kee s ASN 570 N -2.63 6.85 0.23 6.66 0.02 -1.26 -4.93 114.94 119.88 1kee s ASN 570 Ca 0.67 1.47 -0.06 0.00 -1.02 0.00 0.00 52.86 53.92 1kee s ASN 570 Cb -0.21 -2.45 -0.02 0.00 0.02 0.00 0.00 41.25 38.59 1kee s ASN 570 CO 0.43 -0.28 0.30 -0.13 0.02 0.00 0.00 177.10 177.44 1kee s ARG 571 N -3.08 1.39 -0.03 -0.60 3.00 -1.06 -3.75 118.95 114.83 1kee s ARG 571 Ca 0.58 -1.48 -0.30 0.00 0.00 0.00 0.00 55.73 54.53 1kee s ARG 571 Cb -0.10 0.36 -0.07 0.00 0.00 0.00 0.00 34.95 35.15 1kee s ARG 571 CO 0.15 -0.52 1.84 0.42 0.00 0.00 0.00 175.30 177.19 1kee s ILE 572 N -4.03 3.29 0.00 1.52 1.01 -1.26 -1.67 121.20 120.06 1kee s ILE 572 Ca 0.32 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.31 1kee s ILE 572 Cb 0.03 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1kee s ILE 572 CO 0.11 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1kee n GLY 573 N 4.46 2.98 2.38 6.18 0.00 -1.26 -4.91 105.19 115.03 1kee n GLY 573 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1kee n GLY 573 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kee n GLN 574 N -1.11 2.03 0.00 1.61 1.13 -0.67 -4.95 117.38 115.42 1kee n GLN 574 Ca 0.00 -4.25 0.00 0.00 -1.94 0.00 0.00 57.00 50.81 1kee n GLN 574 Cb 0.00 -1.95 0.00 0.00 0.11 0.00 0.00 30.24 28.40 1kee n GLN 574 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kee n GLY 575 N 0.91 1.89 0.31 1.08 0.00 -1.24 -2.55 105.19 105.59 1kee n GLY 575 Ca 0.27 -1.91 0.19 0.00 0.00 0.00 0.00 46.02 44.57 1kee n GLY 575 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1kee h ILE 576 N 0.00 0.17 -0.64 -0.61 2.10 -1.92 -2.87 117.51 113.75 1kee h ILE 576 Ca 0.00 -0.21 0.01 0.00 1.08 0.00 0.00 64.86 65.74 1kee h ILE 576 Cb 0.00 1.17 -0.03 0.00 -1.09 0.00 0.00 36.82 36.87 1kee h ILE 576 CO 0.00 0.02 0.41 -0.33 -1.08 0.00 0.00 178.15 177.18 1kee h GLU 577 N 0.00 0.81 -0.39 2.19 3.07 -1.89 0.97 114.58 119.35 1kee h GLU 577 Ca -0.00 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.70 1kee h GLU 577 Cb 0.17 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1kee h GLU 577 CO 0.00 0.54 -0.20 0.74 -1.40 0.00 0.00 179.01 178.69 1kee h PHE 578 N 0.84 0.84 0.00 4.33 0.04 -1.78 -2.71 116.94 118.49 1kee h PHE 578 Ca 0.24 -0.18 -0.11 0.00 2.80 0.00 0.00 57.97 60.72 1kee h PHE 578 Cb -0.07 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 1kee h PHE 578 CO -0.04 0.88 -0.51 0.22 -0.60 0.00 0.00 178.31 178.26 1kee h ASP 579 N 0.66 0.00 -0.58 2.17 1.82 -1.41 -2.17 116.42 116.91 1kee h ASP 579 Ca 0.10 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.67 1kee h ASP 579 Cb 0.69 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.68 1kee h ASP 579 CO 0.05 0.51 0.09 0.22 -1.61 0.00 0.00 179.24 178.50 1kee h TYR 580 N 0.00 1.02 -0.22 0.28 5.03 -0.54 -1.36 116.97 121.17 1kee h TYR 580 Ca -0.01 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 61.15 1kee h TYR 580 Cb 0.93 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 1kee h TYR 580 CO 0.00 0.89 0.12 0.00 -1.32 0.00 0.00 178.16 177.85 1kee h VAL 583 N 0.58 1.22 -0.20 0.00 2.07 -0.89 -2.54 116.25 116.49 1kee h VAL 583 Ca 0.37 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1kee h VAL 583 Cb 0.44 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1kee h VAL 583 CO -0.30 0.26 -0.22 0.45 0.02 0.00 0.00 177.57 177.78 1kee h HIS 584 N 0.59 0.40 -0.77 1.57 3.86 0.43 -0.71 115.15 120.54 1kee h HIS 584 Ca 0.15 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1kee h HIS 584 Cb 0.26 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 1kee h HIS 584 CO 0.01 0.57 0.38 0.00 0.86 0.00 0.00 177.93 179.76 1kee h ALA 585 N 1.44 0.99 -0.14 2.45 0.00 -0.76 -0.77 119.26 122.46 1kee h ALA 585 Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1kee h ALA 585 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1kee h ALA 585 CO 0.04 0.54 -0.00 1.03 0.00 0.00 0.00 179.25 180.86 1kee h SER 586 N 1.08 0.25 -0.74 0.00 0.87 -1.06 -1.97 113.55 111.97 1kee h SER 586 Ca 0.27 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1kee h SER 586 Cb 0.10 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1kee h SER 586 CO -0.04 0.50 0.39 -0.07 -0.53 0.00 0.00 176.83 177.09 1kee h LEU 587 N -0.01 0.94 0.70 2.23 3.38 -0.98 -1.46 115.31 120.10 1kee h LEU 587 Ca 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1kee h LEU 587 Cb 0.38 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1kee h LEU 587 CO 0.01 0.78 -0.33 0.00 0.09 0.00 0.00 178.44 178.98 1kee h ALA 588 N 1.20 -1.08 -0.53 1.53 0.00 -1.09 -2.00 119.26 117.29 1kee h ALA 588 Ca 0.26 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1kee h ALA 588 Cb 0.06 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1kee h ALA 588 CO -0.04 -1.01 0.36 -0.07 0.00 0.00 0.00 179.25 178.48 1kee h LEU 589 N -1.07 0.44 -0.51 0.00 3.38 -1.40 0.13 115.31 116.27 1kee h LEU 589 Ca -0.10 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1kee h LEU 589 Cb 0.72 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1kee h LEU 589 CO 0.16 0.29 -0.10 -0.09 0.09 0.00 0.00 178.44 178.79 1kee h ARG 590 N 0.51 0.97 -0.02 1.13 2.43 -1.29 0.12 114.38 118.22 1kee h ARG 590 Ca 0.23 -0.36 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1kee h ARG 590 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1kee h ARG 590 CO -0.06 1.03 -0.37 1.49 -1.51 0.00 0.00 179.97 180.55 1kee h GLU 591 N 0.83 0.04 0.00 0.20 4.57 -0.47 -1.52 114.58 118.24 1kee h GLU 591 Ca 0.13 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1kee h GLU 591 Cb 0.66 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1kee h GLU 591 CO 0.05 0.41 0.00 -0.25 -1.18 0.00 0.00 179.01 178.04 1kee n ASP 592 N -4.09 0.00 0.00 1.04 10.43 0.33 -4.91 116.55 119.36 1kee n ASP 592 Ca -0.02 0.13 0.00 0.00 2.57 0.00 0.00 54.79 57.47 1kee n ASP 592 Cb 0.42 -0.37 0.00 0.00 1.84 0.00 0.00 41.12 43.00 1kee n ASP 592 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1kee n GLY 593 N 1.25 0.63 3.86 0.44 0.00 -0.48 -5.04 105.19 105.84 1kee n GLY 593 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1kee n GLY 593 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kee s TYR 594 N -2.00 2.85 -0.40 1.61 2.02 0.28 -4.86 117.35 116.86 1kee s TYR 594 Ca 0.00 0.85 -0.16 0.00 -0.37 0.00 0.00 57.07 57.39 1kee s TYR 594 Cb 0.00 -3.38 0.01 0.00 -0.40 0.00 0.00 41.96 38.19 1kee s TYR 594 CO 0.00 -1.89 0.36 -2.00 -1.57 0.00 0.00 175.55 170.45 1kee s GLU 595 N -5.43 3.15 -0.26 -0.62 2.12 -0.34 -4.38 118.70 112.95 1kee s GLU 595 Ca 0.62 -0.79 -0.18 0.00 0.36 0.00 0.00 54.97 54.98 1kee s GLU 595 Cb -0.12 -3.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 1kee s GLU 595 CO 0.51 -0.74 0.50 0.95 -0.54 0.00 0.00 175.26 175.95 1kee s THR 596 N 1.93 5.08 -0.19 -1.70 -4.23 -1.26 -0.33 115.64 114.93 1kee s THR 596 Ca 0.09 0.86 -0.03 0.00 -1.18 0.00 0.00 61.69 61.43 1kee s THR 596 Cb -0.18 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 69.84 1kee s THR 596 CO 0.12 0.09 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.59 1kee s ILE 597 N 2.28 3.25 -0.13 2.99 1.01 0.14 -1.18 121.20 129.56 1kee s ILE 597 Ca 0.21 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1kee s ILE 597 Cb -0.16 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1kee s ILE 597 CO 0.09 0.46 -0.02 -0.32 0.00 0.00 0.00 174.94 175.16 1kee s MET 598 N 1.08 3.45 -0.23 2.79 1.75 0.21 -0.70 119.30 127.65 1kee s MET 598 Ca 0.01 -0.47 0.02 0.00 -1.25 0.00 0.00 55.69 54.00 1kee s MET 598 Cb -0.15 -2.89 0.04 0.00 2.84 0.00 0.00 34.83 34.68 1kee s MET 598 CO -0.01 0.40 -0.14 0.08 -0.65 0.00 0.00 175.02 174.70 1kee s VAL 599 N -0.07 2.16 0.08 10.11 1.01 -0.64 -1.06 120.40 132.00 1kee s VAL 599 Ca 0.03 -1.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.38 1kee s VAL 599 Cb -0.13 -2.14 0.08 0.00 0.00 0.00 0.00 36.38 34.19 1kee s VAL 599 CO 0.02 0.18 0.83 0.21 0.00 0.00 0.00 175.10 176.35 1kee s ASN 600 N 1.18 -0.36 0.00 3.32 2.47 -1.07 -0.02 114.94 120.46 1kee s ASN 600 Ca -0.04 -0.13 0.04 0.00 0.42 0.00 0.00 52.86 53.16 1kee s ASN 600 Cb -0.17 0.47 0.07 0.00 -1.45 0.00 0.00 41.25 40.17 1kee s ASN 600 CO -0.08 -0.80 1.01 0.00 -3.72 0.00 0.00 177.10 173.51 1kee s ASN 602 N -1.12 6.45 0.45 0.00 3.84 -1.26 -0.85 114.94 122.44 1kee s ASN 602 Ca 0.06 0.06 0.24 0.00 0.21 0.00 0.00 52.86 53.43 1kee s ASN 602 Cb 0.06 -2.38 0.97 0.00 -0.55 0.00 0.00 41.25 39.36 1kee s ASN 602 CO -0.03 -0.80 1.85 1.55 -2.79 0.00 0.00 177.10 176.88 1kee h PRO 603 N 8.74 0.00 0.00 0.43 0.13 -1.89 -3.26 132.00 136.15 1kee h PRO 603 Ca -0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 1kee h PRO 603 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1kee h PRO 603 CO 0.92 0.22 -0.44 0.93 -0.23 0.00 0.00 178.00 179.40 1kee h GLU 604 N 0.00 0.00 -7.21 0.86 5.08 -1.91 -3.41 114.58 107.99 1kee h GLU 604 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1kee h GLU 604 Cb 0.70 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.01 1kee h GLU 604 CO 0.03 0.44 0.27 0.95 -1.00 0.00 0.00 179.01 179.70 1kee s THR 605 N -3.82 4.08 -0.15 1.13 -4.23 -1.23 -3.26 115.64 108.17 1kee s THR 605 Ca -0.01 0.33 0.21 0.00 -1.18 0.00 0.00 61.69 61.03 1kee s THR 605 Cb 0.13 -3.63 0.21 0.00 1.34 0.00 0.00 72.50 70.55 1kee s THR 605 CO 0.72 -0.72 1.63 0.58 -0.54 0.00 0.00 174.62 176.28 1kee h VAL 606 N -0.23 0.48 -0.91 2.29 2.07 -1.91 -2.94 116.25 115.10 1kee h VAL 606 Ca -0.45 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 65.62 1kee h VAL 606 Cb 1.23 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 33.02 1kee h VAL 606 CO 0.62 0.25 0.59 0.77 0.02 0.00 0.00 177.57 179.82 1kee h SER 607 N 0.00 0.99 -0.32 0.57 4.64 -1.92 -1.98 113.55 115.53 1kee h SER 607 Ca -0.00 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1kee h SER 607 Cb 1.05 -0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 62.84 1kee h SER 607 CO 0.03 0.69 0.16 0.35 -0.87 0.00 0.00 176.83 177.19 1kee n THR 608 N -4.50 1.55 -3.60 2.95 -2.24 -1.11 -4.80 114.28 102.53 1kee n THR 608 Ca 0.11 -0.65 -0.37 0.00 -2.27 0.00 0.00 64.05 60.87 1kee n THR 608 Cb 0.07 -0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 67.55 1kee n THR 608 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1kee s ASP 609 N -0.02 6.20 0.66 3.42 -1.08 -0.75 -4.94 116.67 120.16 1kee s ASP 609 Ca 0.21 0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.72 1kee s ASP 609 Cb 0.17 -2.13 1.42 0.00 -1.46 0.00 0.00 42.92 40.92 1kee s ASP 609 CO 0.05 0.04 1.81 0.10 0.52 0.00 0.00 175.17 177.69 1kee h TYR 610 N 7.41 0.00 -0.04 -5.34 -0.00 -1.88 0.16 116.97 117.28 1kee h TYR 610 Ca -0.38 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.18 1kee h TYR 610 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.89 1kee h TYR 610 CO 0.66 0.00 -0.74 -0.44 -0.00 0.00 0.00 178.16 177.64 1kee h ASP 611 N 0.00 0.32 0.10 0.10 3.45 -1.92 -3.32 116.42 115.15 1kee h ASP 611 Ca 0.03 -0.22 -0.01 0.00 0.43 0.00 0.00 57.03 57.26 1kee h ASP 611 Cb 0.90 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.57 1kee h ASP 611 CO -0.00 0.95 -0.04 0.74 -1.57 0.00 0.00 179.24 179.32 1kee h THR 612 N 0.18 0.63 -4.31 0.35 2.02 -1.21 -3.45 112.91 107.11 1kee h THR 612 Ca -0.03 -0.17 -0.51 0.00 0.77 0.00 0.00 66.41 66.47 1kee h THR 612 Cb 1.31 1.11 -0.13 0.00 -1.74 0.00 0.00 68.15 68.69 1kee h THR 612 CO 0.12 0.04 -0.49 -0.94 0.37 0.00 0.00 175.52 174.62 1kee s SER 613 N -6.31 2.07 -0.05 4.18 1.04 -1.25 -4.45 113.70 108.93 1kee s SER 613 Ca -0.04 -1.77 -0.23 0.00 0.48 0.00 0.00 55.95 54.39 1kee s SER 613 Cb 0.15 0.58 -0.28 0.00 0.10 0.00 0.00 66.02 66.57 1kee s SER 613 CO 0.58 -1.05 0.94 0.44 0.98 0.00 0.00 173.24 175.13 1kee h ASP 614 N 2.01 0.40 -3.83 7.02 5.19 -1.46 -3.46 116.42 122.29 1kee h ASP 614 Ca -0.27 -0.89 -0.42 0.00 -0.62 0.00 0.00 57.03 54.83 1kee h ASP 614 Cb 1.24 -0.13 -0.31 0.00 0.18 0.00 0.00 39.33 40.32 1kee h ASP 614 CO 0.40 1.26 -0.78 -0.13 -3.12 0.00 0.00 179.24 176.87 1kee s ARG 615 N -2.66 0.89 -0.15 3.56 0.52 -0.71 -4.48 118.95 115.93 1kee s ARG 615 Ca -0.14 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 1kee s ARG 615 Cb 0.01 -0.84 0.02 0.00 0.52 0.00 0.00 34.95 34.66 1kee s ARG 615 CO 0.80 0.12 -0.15 -1.17 0.02 0.00 0.00 175.30 174.92 1kee s LEU 616 N 0.15 1.74 -0.41 2.53 2.96 -0.69 -0.62 118.68 124.34 1kee s LEU 616 Ca -0.02 -0.50 -0.09 0.00 -0.22 0.00 0.00 54.13 53.30 1kee s LEU 616 Cb -0.08 -1.20 0.07 0.00 0.50 0.00 0.00 46.19 45.48 1kee s LEU 616 CO 0.00 -0.04 0.24 -0.31 -1.32 0.00 0.00 176.35 174.93 1kee s TYR 617 N 1.38 3.32 -1.14 5.38 1.51 -0.22 -0.18 117.35 127.40 1kee s TYR 617 Ca 0.03 -1.46 -0.16 0.00 -1.01 0.00 0.00 57.07 54.47 1kee s TYR 617 Cb -0.13 -2.86 0.14 0.00 -0.11 0.00 0.00 41.96 39.00 1kee s TYR 617 CO -0.09 -0.82 1.40 0.12 -1.11 0.00 0.00 175.55 175.04 1kee s PHE 618 N 1.44 3.28 0.08 2.71 2.19 0.24 -2.58 117.98 125.33 1kee s PHE 618 Ca 0.03 -1.84 0.01 0.00 0.33 0.00 0.00 56.93 55.46 1kee s PHE 618 Cb -0.22 -4.38 -0.04 0.00 -1.31 0.00 0.00 43.02 37.07 1kee s PHE 618 CO 0.03 -1.49 -0.05 -1.21 1.83 0.00 0.00 175.22 174.32 1kee s GLU 619 N 2.31 0.73 0.32 10.12 0.41 -0.98 -4.62 118.70 126.98 1kee s GLU 619 Ca 0.42 -1.25 -0.29 0.00 -0.41 0.00 0.00 54.97 53.44 1kee s GLU 619 Cb -0.02 -0.07 -0.11 0.00 -1.78 0.00 0.00 34.13 32.14 1kee s GLU 619 CO -0.02 -0.04 1.55 -2.14 -0.49 0.00 0.00 175.26 174.12 1kee s PRO 620 N -3.66 4.13 -1.28 0.39 0.02 -1.26 -3.70 135.00 129.63 1kee s PRO 620 Ca 0.08 2.56 -0.15 0.00 0.02 0.00 0.00 61.00 63.51 1kee s PRO 620 Cb 0.05 -3.01 0.12 0.00 0.02 0.00 0.00 34.50 31.68 1kee s PRO 620 CO -0.06 -0.58 1.71 0.28 -0.33 0.00 0.00 177.00 178.01 1kee n VAL 621 N 1.62 4.06 -4.46 3.83 0.31 -1.26 -4.58 118.33 117.85 1kee n VAL 621 Ca 0.06 -4.25 -0.22 0.00 -0.01 0.00 0.00 64.34 59.91 1kee n VAL 621 Cb 0.38 -2.43 -0.11 0.00 -0.91 0.00 0.00 33.84 30.78 1kee n VAL 621 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1kee s THR 622 N 2.51 1.55 0.09 2.52 -4.23 -1.26 -4.86 115.64 111.95 1kee s THR 622 Ca 0.47 -2.07 -0.23 0.00 -1.18 0.00 0.00 61.69 58.68 1kee s THR 622 Cb 0.03 -2.65 -0.14 0.00 1.34 0.00 0.00 72.50 71.08 1kee s THR 622 CO 0.02 -0.15 1.73 0.25 -0.54 0.00 0.00 174.62 175.92 1kee h LEU 623 N 2.15 0.03 -0.03 4.79 5.85 -1.96 -0.50 115.31 125.62 1kee h LEU 623 Ca -0.41 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1kee h LEU 623 Cb 1.24 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1kee h LEU 623 CO 0.70 0.04 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.62 1kee h GLU 624 N 0.01 -0.21 -0.55 1.25 4.81 -1.96 -0.02 114.58 117.91 1kee h GLU 624 Ca 0.01 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1kee h GLU 624 Cb 0.01 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1kee h GLU 624 CO -0.00 -0.14 0.07 -0.44 -0.73 0.00 0.00 179.01 177.77 1kee h ASP 625 N -0.22 0.83 -0.10 1.04 5.19 -1.80 -2.57 116.42 118.79 1kee h ASP 625 Ca 0.06 -0.18 -0.15 0.00 -0.62 0.00 0.00 57.03 56.14 1kee h ASP 625 Cb 0.30 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 1kee h ASP 625 CO -0.16 0.85 -0.44 0.58 -3.12 0.00 0.00 179.24 176.95 1kee h VAL 626 N 0.83 1.30 -0.24 -1.35 2.07 -0.70 -2.84 116.25 115.31 1kee h VAL 626 Ca 0.17 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 1kee h VAL 626 Cb 0.39 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1kee h VAL 626 CO 0.01 0.52 -0.09 -0.07 0.02 0.00 0.00 177.57 177.95 1kee h LEU 627 N 0.52 0.36 -0.82 2.57 3.38 -0.79 -0.65 115.31 119.88 1kee h LEU 627 Ca 0.04 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1kee h LEU 627 Cb 0.97 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1kee h LEU 627 CO 0.09 0.50 -0.11 -0.33 0.09 0.00 0.00 178.44 178.68 1kee h GLU 628 N 0.36 0.76 -0.26 1.13 4.39 -1.25 0.14 114.58 119.85 1kee h GLU 628 Ca 0.07 -0.25 -0.14 0.00 0.34 0.00 0.00 59.36 59.38 1kee h GLU 628 Cb 0.39 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1kee h GLU 628 CO 0.02 0.85 -0.40 0.82 -1.16 0.00 0.00 179.01 179.14 1kee h ILE 629 N 0.69 1.30 -0.48 3.13 2.04 -1.11 -3.05 117.51 120.03 1kee h ILE 629 Ca 0.12 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.40 1kee h ILE 629 Cb 0.58 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1kee h ILE 629 CO 0.04 0.51 0.31 0.58 0.00 0.00 0.00 178.15 179.58 1kee h VAL 630 N 0.47 1.10 -0.92 1.67 2.07 -0.88 0.24 116.25 120.00 1kee h VAL 630 Ca 0.03 -0.21 0.27 0.00 0.82 0.00 0.00 66.70 67.60 1kee h VAL 630 Cb 0.99 0.42 -0.16 0.00 -1.52 0.00 0.00 31.29 31.03 1kee h VAL 630 CO 0.09 0.11 0.24 -0.09 0.02 0.00 0.00 177.57 177.95 1kee h ARG 631 N 0.63 0.14 0.00 1.57 2.43 -0.63 0.48 114.38 119.00 1kee h ARG 631 Ca 0.18 -0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 58.99 1kee h ARG 631 Cb -0.05 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 1kee h ARG 631 CO -0.05 0.09 -2.19 0.44 -1.51 0.00 0.00 179.97 176.76 1kee n ILE 632 N -5.28 1.47 0.09 1.20 -5.35 -0.95 -4.46 119.36 106.08 1kee n ILE 632 Ca 0.24 -0.81 -0.13 0.00 -0.27 0.00 0.00 62.75 61.78 1kee n ILE 632 Cb 0.79 -0.74 -0.13 0.00 -1.74 0.00 0.00 39.64 37.81 1kee n ILE 632 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1kee h GLU 633 N 0.00 0.19 -6.05 6.28 4.39 0.11 -3.46 114.58 116.05 1kee h GLU 633 Ca -0.47 -0.33 -0.34 0.00 0.34 0.00 0.00 59.36 58.56 1kee h GLU 633 Cb 2.15 0.12 0.07 0.00 -0.10 0.00 0.00 28.75 31.00 1kee h GLU 633 CO 0.04 1.15 -0.78 1.63 -1.16 0.00 0.00 179.01 179.88 1kee n LYS 634 N -3.47 -1.39 -1.17 2.33 5.02 0.16 -4.93 118.16 114.70 1kee n LYS 634 Ca -0.07 0.74 -0.29 0.00 -2.02 0.00 0.00 58.31 56.67 1kee n LYS 634 Cb 1.00 -4.37 0.16 0.00 -0.02 0.00 0.00 35.03 31.80 1kee n LYS 634 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1kee s PRO 635 N -5.11 0.69 -0.01 1.97 0.04 -1.26 -4.84 135.00 126.48 1kee s PRO 635 Ca 0.33 0.62 -0.19 0.00 0.04 0.00 0.00 61.00 61.80 1kee s PRO 635 Cb -0.10 -1.76 -0.33 0.00 0.04 0.00 0.00 34.50 32.35 1kee s PRO 635 CO 0.83 -2.58 0.95 -0.22 0.04 0.00 0.00 177.00 176.03 1kee h LYS 636 N -1.79 0.42 -3.50 4.56 3.64 -0.63 -3.47 116.57 115.80 1kee h LYS 636 Ca -0.53 -0.70 -0.06 0.00 -1.27 0.00 0.00 60.65 58.09 1kee h LYS 636 Cb 1.31 0.26 -0.13 0.00 -0.41 0.00 0.00 32.23 33.26 1kee h LYS 636 CO 0.56 1.33 -0.15 0.20 -2.27 0.00 0.00 179.45 179.13 1kee s GLY 637 N -4.49 -0.17 -0.05 5.01 0.00 -1.10 -4.82 107.32 101.70 1kee s GLY 637 Ca -0.12 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.44 1kee s GLY 637 CO 0.88 -0.44 -0.17 0.14 0.00 0.00 0.00 173.10 173.51 1kee s VAL 638 N -3.82 1.47 -0.25 1.40 1.01 0.77 -1.33 120.40 119.64 1kee s VAL 638 Ca 0.04 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1kee s VAL 638 Cb 0.03 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1kee s VAL 638 CO -0.11 0.42 0.15 -0.63 0.00 0.00 0.00 175.10 174.93 1kee s ILE 639 N 0.15 5.13 -0.47 2.22 1.01 0.17 -0.89 121.20 128.53 1kee s ILE 639 Ca -0.07 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1kee s ILE 639 Cb -0.13 -3.41 0.05 0.00 0.01 0.00 0.00 42.46 38.98 1kee s ILE 639 CO 0.03 0.31 0.72 1.33 0.00 0.00 0.00 174.94 177.33 1kee n VAL 640 N 4.67 0.19 1.39 2.92 0.24 -1.26 -2.24 118.33 124.24 1kee n VAL 640 Ca -0.15 -0.60 0.14 0.00 -2.04 0.00 0.00 64.34 61.69 1kee n VAL 640 Cb 0.52 0.97 0.51 0.00 -1.47 0.00 0.00 33.84 34.37 1kee n VAL 640 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kee n GLN 641 N 0.16 1.01 -0.00 7.34 3.00 -1.26 -3.68 117.38 123.94 1kee n GLN 641 Ca 0.03 -0.51 0.05 0.00 -0.01 0.00 0.00 57.00 56.56 1kee n GLN 641 Cb 0.14 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 28.83 1kee n GLN 641 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1kee n TYR 642 N -0.56 0.00 -0.75 1.08 4.02 -1.26 -1.58 117.16 118.11 1kee n TYR 642 Ca 0.15 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 58.02 1kee n TYR 642 Cb 0.32 -0.08 0.29 0.00 -0.02 0.00 0.00 39.34 39.85 1kee n TYR 642 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kee n GLY 643 N 1.46 3.23 6.74 2.72 0.00 -1.24 -4.38 105.19 113.72 1kee n GLY 643 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1kee n GLY 643 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 644 N 0.09 -1.00 0.28 -0.02 0.00 -1.26 -3.58 105.19 99.70 1kee n GLY 644 Ca 0.33 -1.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 1kee n GLY 644 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1kee h GLN 645 N 0.00 0.95 0.00 1.61 1.08 -1.95 -3.13 115.11 113.67 1kee h GLN 645 Ca 0.00 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1kee h GLN 645 Cb 0.00 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1kee h GLN 645 CO 0.00 0.81 0.00 2.41 -0.95 0.00 0.00 178.83 181.10 1kee n THR 646 N -4.43 0.00 0.29 -0.54 -1.04 -1.26 -1.11 114.28 106.19 1kee n THR 646 Ca 0.04 1.12 0.16 0.00 -2.04 0.00 0.00 64.05 63.33 1kee n THR 646 Cb 0.17 -1.64 0.93 0.00 -1.82 0.00 0.00 70.33 67.97 1kee n THR 646 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1kee h PRO 647 N 0.00 0.00 -0.57 -2.82 0.13 -1.77 -2.05 132.00 124.92 1kee h PRO 647 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 1kee h PRO 647 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1kee h PRO 647 CO 0.00 0.00 -0.01 1.25 -0.23 0.00 0.00 178.00 179.01 1kee h LEU 648 N 0.00 1.00 -1.12 1.56 5.85 -1.23 -2.65 115.31 118.71 1kee h LEU 648 Ca 0.01 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1kee h LEU 648 Cb 0.08 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1kee h LEU 648 CO -0.00 1.07 0.00 0.11 -0.34 0.00 0.00 178.44 179.28 1kee h LYS 649 N 0.90 0.00 0.00 1.25 1.57 -0.36 -3.05 116.57 116.89 1kee h LYS 649 Ca 0.16 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.74 1kee h LYS 649 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1kee h LYS 649 CO 0.03 0.00 -1.26 -0.07 -0.57 0.00 0.00 179.45 177.58 1kee h LEU 650 N 0.00 0.00 -0.92 2.94 3.38 -1.50 -3.41 115.31 115.80 1kee h LEU 650 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1kee h LEU 650 Cb 0.50 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.11 1kee h LEU 650 CO 0.00 0.75 -0.40 0.00 0.09 0.00 0.00 178.44 178.87 1kee n ALA 651 N -2.40 -0.22 0.32 1.53 0.00 -1.07 -0.49 120.51 118.18 1kee n ALA 651 Ca -0.08 0.89 -0.18 0.00 0.00 0.00 0.00 53.44 54.07 1kee n ALA 651 Cb 0.89 -0.35 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 1kee n ALA 651 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1kee h ARG 652 N 0.00 -0.92 -0.98 0.00 2.43 -1.81 -1.58 114.38 111.53 1kee h ARG 652 Ca 0.28 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.63 1kee h ARG 652 Cb 0.51 0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 30.19 1kee h ARG 652 CO -0.91 -0.62 0.61 0.00 -1.51 0.00 0.00 179.97 177.55 1kee h ALA 653 N -0.70 1.46 -0.42 2.80 0.00 -1.69 0.77 119.26 121.49 1kee h ALA 653 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kee h ALA 653 Cb 0.81 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1kee h ALA 653 CO 0.01 0.22 0.27 -0.07 0.00 0.00 0.00 179.25 179.67 1kee h LEU 654 N 0.97 0.49 0.06 0.00 3.38 -0.52 -0.56 115.31 119.13 1kee h LEU 654 Ca 0.48 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1kee h LEU 654 Cb 0.46 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1kee h LEU 654 CO -0.26 0.37 -0.03 -0.08 0.09 0.00 0.00 178.44 178.54 1kee h GLU 655 N 0.57 -0.07 -0.73 1.13 4.81 -0.33 0.34 114.58 120.29 1kee h GLU 655 Ca 0.15 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.55 1kee h GLU 655 Cb -0.04 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.24 1kee h GLU 655 CO -0.03 0.09 0.12 0.00 -0.73 0.00 0.00 179.01 178.45 1kee h ALA 656 N 0.71 0.89 0.00 2.92 0.00 -0.65 0.78 119.26 123.91 1kee h ALA 656 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1kee h ALA 656 Cb 0.19 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1kee h ALA 656 CO 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.89 1kee n ALA 657 N -2.74 2.29 -0.56 0.00 0.00 -0.24 -4.83 120.51 114.43 1kee n ALA 657 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1kee n ALA 657 Cb 0.46 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1kee n ALA 657 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 658 N 0.30 0.71 3.77 0.00 0.00 0.27 -5.04 105.19 105.20 1kee n GLY 658 Ca 0.01 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1kee n GLY 658 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 659 N -2.00 4.11 -1.33 1.61 1.01 0.12 -4.92 120.40 118.99 1kee s VAL 659 Ca 0.00 1.86 -0.17 0.00 0.00 0.00 0.00 61.98 63.68 1kee s VAL 659 Cb 0.00 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.36 1kee s VAL 659 CO 0.00 0.25 1.85 -0.81 0.00 0.00 0.00 175.10 176.39 1kee n PRO 660 N 0.83 3.13 -2.52 2.72 -0.04 -1.26 -4.33 135.00 133.52 1kee n PRO 660 Ca 0.01 -3.14 -0.42 0.00 -0.04 0.00 0.00 63.50 59.91 1kee n PRO 660 Cb 0.49 -3.44 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 1kee n PRO 660 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kee s VAL 661 N 3.89 4.14 0.26 0.52 1.01 -1.26 -0.16 120.40 128.81 1kee s VAL 661 Ca 0.52 1.66 0.07 0.00 0.00 0.00 0.00 61.98 64.23 1kee s VAL 661 Cb 0.06 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1kee s VAL 661 CO 0.04 0.20 0.19 0.27 0.00 0.00 0.00 175.10 175.80 1kee s ILE 662 N 0.50 4.24 0.00 2.22 -4.36 -0.07 -4.78 121.20 118.95 1kee s ILE 662 Ca 0.53 -1.44 0.00 0.00 -0.26 0.00 0.00 60.65 59.48 1kee s ILE 662 Cb -0.28 -3.33 0.00 0.00 1.25 0.00 0.00 42.46 40.10 1kee s ILE 662 CO 0.31 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.77 1kee n GLY 663 N -1.18 -1.67 3.67 6.27 0.00 -1.26 -4.65 105.19 106.37 1kee n GLY 663 Ca -0.07 -1.34 -0.58 0.00 0.00 0.00 0.00 46.02 44.03 1kee n GLY 663 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1kee n THR 664 N -0.00 0.15 -1.58 2.61 -1.04 -0.83 -4.80 114.28 108.78 1kee n THR 664 Ca 0.00 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.05 61.62 1kee n THR 664 Cb 0.00 -0.89 0.08 0.00 -1.82 0.00 0.00 70.33 67.70 1kee n THR 664 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1kee n SER 665 N 4.08 1.61 0.03 8.00 3.41 -1.26 -4.82 113.62 124.68 1kee n SER 665 Ca 0.25 0.77 0.05 0.00 -0.26 0.00 0.00 58.87 59.68 1kee n SER 665 Cb 0.11 -1.52 0.46 0.00 -0.26 0.00 0.00 64.21 63.00 1kee n SER 665 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1kee h PRO 666 N 0.22 0.46 -0.19 4.33 0.11 -1.90 0.80 132.00 135.82 1kee h PRO 666 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1kee h PRO 666 Cb 1.34 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1kee h PRO 666 CO 0.51 0.30 0.02 0.22 -0.21 0.00 0.00 178.00 178.85 1kee h ASP 667 N 0.47 0.30 -0.82 -2.05 1.82 -1.96 -0.63 116.42 113.55 1kee h ASP 667 Ca 0.14 -0.27 0.10 0.00 -0.39 0.00 0.00 57.03 56.60 1kee h ASP 667 Cb -0.03 -0.08 -0.06 0.00 0.68 0.00 0.00 39.33 39.85 1kee h ASP 667 CO -0.03 0.50 0.53 0.00 -1.61 0.00 0.00 179.24 178.63 1kee h ALA 668 N 0.82 1.73 -0.33 -0.78 0.00 -1.50 0.79 119.26 119.99 1kee h ALA 668 Ca 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1kee h ALA 668 Cb 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1kee h ALA 668 CO 0.00 0.10 -0.26 0.82 0.00 0.00 0.00 179.25 179.91 1kee h ILE 669 N 0.77 1.29 -0.42 0.00 2.04 -0.61 -2.91 117.51 117.67 1kee h ILE 669 Ca 0.38 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 1kee h ILE 669 Cb 0.44 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1kee h ILE 669 CO -0.15 0.46 0.05 -0.78 0.00 0.00 0.00 178.15 177.73 1kee h ASP 670 N 0.54 0.61 -0.59 1.72 1.82 0.45 -0.62 116.42 120.36 1kee h ASP 670 Ca 0.06 -0.12 0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1kee h ASP 670 Cb 0.83 -0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.62 1kee h ASP 670 CO 0.07 0.65 0.29 0.03 -1.61 0.00 0.00 179.24 178.67 1kee h ARG 671 N 0.63 0.53 0.05 0.28 3.08 -0.72 0.29 114.38 118.51 1kee h ARG 671 Ca 0.14 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1kee h ARG 671 Cb 0.33 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1kee h ARG 671 CO 0.01 0.35 -0.02 0.00 -1.07 0.00 0.00 179.97 179.23 1kee h ALA 672 N 1.33 -0.06 0.00 0.04 0.00 -1.37 -1.80 119.26 117.40 1kee h ALA 672 Ca 0.27 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1kee h ALA 672 Cb 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1kee h ALA 672 CO -0.20 -0.26 -0.32 0.93 0.00 0.00 0.00 179.25 179.40 1kee h GLU 673 N -0.62 0.00 -6.50 0.00 4.39 -0.99 -3.42 114.58 107.45 1kee h GLU 673 Ca -0.01 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.12 1kee h GLU 673 Cb 0.54 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.11 1kee h GLU 673 CO 0.01 0.32 0.83 0.34 -1.16 0.00 0.00 179.01 179.35 1kee s ASP 674 N -6.78 6.55 0.57 1.42 2.15 0.10 -4.86 116.67 115.82 1kee s ASP 674 Ca -0.03 0.26 0.30 0.00 0.43 0.00 0.00 52.55 53.51 1kee s ASP 674 Cb 0.14 -2.52 1.45 0.00 -0.30 0.00 0.00 42.92 41.69 1kee s ASP 674 CO 0.70 -1.24 1.86 0.03 -0.17 0.00 0.00 175.17 176.35 1kee h ARG 675 N 9.26 0.00 0.19 4.34 -0.00 -1.86 0.43 114.38 126.74 1kee h ARG 675 Ca -0.24 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.23 1kee h ARG 675 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.04 1kee h ARG 675 CO 1.11 0.00 -0.09 0.93 0.00 0.00 0.00 179.97 181.92 1kee h GLU 676 N 0.00 -0.25 -0.64 0.04 5.08 -1.91 -2.09 114.58 114.81 1kee h GLU 676 Ca 0.31 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.81 1kee h GLU 676 Cb 1.50 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.68 1kee h GLU 676 CO -0.00 -0.17 -0.32 0.00 -1.00 0.00 0.00 179.01 177.52 1kee h ARG 677 N -0.79 -0.12 -0.07 2.33 2.47 -1.49 -1.88 114.38 114.82 1kee h ARG 677 Ca -0.03 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1kee h ARG 677 Cb 0.20 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.51 1kee h ARG 677 CO 0.04 -0.08 -0.30 0.35 0.56 0.00 0.00 179.97 180.54 1kee h PHE 678 N -0.13 -0.89 -0.98 3.04 3.57 0.74 -0.72 116.94 121.56 1kee h PHE 678 Ca 0.26 0.03 0.29 0.00 3.53 0.00 0.00 57.97 62.08 1kee h PHE 678 Cb 0.55 0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1kee h PHE 678 CO -0.64 -0.30 1.02 0.37 -2.23 0.00 0.00 178.31 176.53 1kee h GLN 679 N -0.32 0.00 0.10 1.11 4.15 -0.61 0.70 115.11 120.24 1kee h GLN 679 Ca 0.02 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.17 1kee h GLN 679 Cb 0.38 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1kee h GLN 679 CO -0.24 0.00 -1.23 0.45 -1.93 0.00 0.00 178.83 175.88 1kee h HIS 680 N 0.00 0.37 -0.12 3.99 3.86 -0.86 -2.56 115.15 119.82 1kee h HIS 680 Ca 0.47 -0.27 -0.19 0.00 -1.16 0.00 0.00 60.37 59.22 1kee h HIS 680 Cb 2.51 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 30.97 1kee h HIS 680 CO 0.00 1.22 -0.71 0.00 0.86 0.00 0.00 177.93 179.30 1kee h ALA 681 N 0.68 0.54 -0.10 2.45 0.00 0.92 1.90 119.26 125.64 1kee h ALA 681 Ca -0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1kee h ALA 681 Cb 1.93 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 1kee h ALA 681 CO 0.18 0.73 0.01 0.28 0.00 0.00 0.00 179.25 180.45 1kee h VAL 682 N 0.38 1.22 0.15 0.00 2.07 -1.39 0.13 116.25 118.82 1kee h VAL 682 Ca -0.03 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1kee h VAL 682 Cb 1.29 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 1kee h VAL 682 CO 0.13 0.20 -0.32 -0.33 0.02 0.00 0.00 177.57 177.27 1kee h GLU 683 N -0.07 -0.55 -0.78 1.57 5.08 -1.31 0.12 114.58 118.64 1kee h GLU 683 Ca 0.03 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.60 1kee h GLU 683 Cb 0.30 0.12 -0.14 0.00 0.50 0.00 0.00 28.75 29.54 1kee h GLU 683 CO 0.00 -0.36 -0.02 -0.09 -1.00 0.00 0.00 179.01 177.53 1kee h ARG 684 N -0.57 0.08 -0.00 2.33 9.65 0.33 -1.16 114.38 125.04 1kee h ARG 684 Ca 0.02 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1kee h ARG 684 Cb 0.58 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1kee h ARG 684 CO -0.17 0.05 -0.10 1.28 2.80 0.00 0.00 179.97 183.84 1kee n LEU 685 N -5.38 0.17 -2.97 3.80 4.77 0.42 -4.95 117.00 112.86 1kee n LEU 685 Ca 0.14 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 1kee n LEU 685 Cb 0.48 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1kee n LEU 685 CO 0.03 0.04 0.09 0.29 -1.33 0.00 0.00 177.39 176.51 1kee n LYS 686 N -1.35 -5.39 -3.97 3.23 5.02 0.31 -5.03 118.16 110.97 1kee n LYS 686 Ca 0.10 0.69 -0.22 0.00 -2.02 0.00 0.00 58.31 56.85 1kee n LYS 686 Cb 0.31 -5.23 -0.05 0.00 -0.02 0.00 0.00 35.03 30.03 1kee n LYS 686 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kee s LEU 687 N -5.54 3.34 -0.10 -0.35 1.43 -0.89 -5.05 118.68 111.52 1kee s LEU 687 Ca 0.01 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.23 1kee s LEU 687 Cb -0.01 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 1kee s LEU 687 CO 0.59 -0.37 0.38 -0.54 0.23 0.00 0.00 176.35 176.64 1kee s LYS 688 N -3.92 4.16 0.01 1.70 1.02 -1.26 -4.69 119.74 116.77 1kee s LYS 688 Ca 0.40 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.69 1kee s LYS 688 Cb -0.03 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1kee s LYS 688 CO 0.24 0.36 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.86 1kee s GLN 689 N 0.04 0.23 0.61 1.68 0.74 -1.26 -0.95 119.66 120.74 1kee s GLN 689 Ca 0.22 -0.39 -0.19 0.00 0.05 0.00 0.00 55.36 55.05 1kee s GLN 689 Cb -0.15 0.01 -0.03 0.00 1.10 0.00 0.00 33.01 33.94 1kee s GLN 689 CO 0.09 -0.01 1.31 -2.14 -0.55 0.00 0.00 175.29 173.99 1kee s PRO 690 N -0.88 2.79 0.24 1.67 0.02 -1.26 -4.89 135.00 132.68 1kee s PRO 690 Ca -0.09 2.12 -0.31 0.00 0.02 0.00 0.00 61.00 62.74 1kee s PRO 690 Cb -0.06 -2.00 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 1kee s PRO 690 CO -0.00 -1.43 1.60 0.00 -0.33 0.00 0.00 177.00 176.84 1kee s ALA 691 N -1.37 3.79 0.08 -1.55 0.00 -1.26 -4.78 121.76 116.67 1kee s ALA 691 Ca 0.78 1.50 0.01 0.00 0.00 0.00 0.00 51.96 54.26 1kee s ALA 691 Cb -0.38 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 1kee s ALA 691 CO 0.42 -0.89 -0.06 0.54 0.00 0.00 0.00 175.76 175.77 1kee s ASN 692 N 0.78 0.95 0.13 0.00 2.20 -1.26 -1.50 114.94 116.23 1kee s ASN 692 Ca 0.67 -0.97 -0.03 0.00 -0.94 0.00 0.00 52.86 51.59 1kee s ASN 692 Cb -0.47 0.12 -0.03 0.00 -2.00 0.00 0.00 41.25 38.87 1kee s ASN 692 CO 0.40 -0.48 0.10 0.00 -2.94 0.00 0.00 177.10 174.18 1kee s ALA 693 N -3.53 0.57 -0.44 3.54 0.00 -0.76 -4.98 121.76 116.16 1kee s ALA 693 Ca 0.09 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.80 1kee s ALA 693 Cb 0.05 0.77 0.13 0.00 0.00 0.00 0.00 23.12 24.07 1kee s ALA 693 CO -0.06 -0.51 0.22 0.99 0.00 0.00 0.00 175.76 176.40 1kee s THR 694 N -4.01 1.58 0.06 0.00 2.01 -1.26 -0.51 115.64 113.51 1kee s THR 694 Ca 0.19 -2.56 -0.22 0.00 0.31 0.00 0.00 61.69 59.42 1kee s THR 694 Cb 0.06 -2.11 -0.06 0.00 0.01 0.00 0.00 72.50 70.40 1kee s THR 694 CO -0.01 -0.85 0.66 -0.69 -0.69 0.00 0.00 174.62 173.05 1kee s VAL 695 N 0.40 4.72 -0.20 3.82 1.01 -0.79 -4.86 120.40 124.49 1kee s VAL 695 Ca 0.16 1.41 -0.16 0.00 0.00 0.00 0.00 61.98 63.40 1kee s VAL 695 Cb -0.24 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1kee s VAL 695 CO -0.02 0.46 -0.26 0.41 0.00 0.00 0.00 175.10 175.69 1kee n THR 696 N 2.26 1.50 -3.82 3.92 -1.04 -1.26 -2.41 114.28 113.42 1kee n THR 696 Ca -0.07 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 61.73 1kee n THR 696 Cb 0.50 -2.19 -0.02 0.00 -1.82 0.00 0.00 70.33 66.80 1kee n THR 696 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kee s ALA 697 N -2.71 3.93 0.03 2.41 0.00 -1.26 -4.94 121.76 119.23 1kee s ALA 697 Ca -0.29 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.13 1kee s ALA 697 Cb 0.07 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 1kee s ALA 697 CO 0.43 0.12 1.19 0.82 0.00 0.00 0.00 175.76 178.32 1kee h ILE 698 N 1.17 0.00 0.00 0.00 5.03 -2.00 -2.33 117.51 119.38 1kee h ILE 698 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 1kee h ILE 698 Cb 1.24 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.03 1kee h ILE 698 CO 0.58 0.00 0.11 -0.62 -0.68 0.00 0.00 178.15 177.54 1kee n GLU 699 N -3.45 0.12 0.06 2.37 -0.58 -1.26 -0.50 120.64 117.41 1kee n GLU 699 Ca -0.03 0.61 -0.15 0.00 -0.42 0.00 0.00 57.16 57.16 1kee n GLU 699 Cb 0.15 -2.00 -0.14 0.00 -0.57 0.00 0.00 31.44 28.88 1kee n GLU 699 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1kee h MET 700 N 0.00 0.22 0.00 3.49 4.05 -1.89 -3.28 114.93 117.52 1kee h MET 700 Ca 0.00 -0.37 -0.04 0.00 -0.28 0.00 0.00 59.70 59.01 1kee h MET 700 Cb 0.21 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1kee h MET 700 CO 0.00 1.08 -0.16 0.00 0.23 0.00 0.00 176.91 178.07 1kee h ALA 701 N 0.58 0.02 -0.99 0.39 0.00 -0.25 -1.98 119.26 117.04 1kee h ALA 701 Ca -0.21 -0.44 0.23 0.00 0.00 0.00 0.00 54.91 54.49 1kee h ALA 701 Cb 1.99 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.70 1kee h ALA 701 CO 0.16 0.02 0.63 0.28 0.00 0.00 0.00 179.25 180.34 1kee h VAL 702 N -0.62 0.62 0.22 0.00 2.07 -1.43 2.40 116.25 119.50 1kee h VAL 702 Ca -0.02 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1kee h VAL 702 Cb 0.93 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1kee h VAL 702 CO 0.03 0.09 -0.10 -0.08 0.02 0.00 0.00 177.57 177.53 1kee h GLU 703 N 0.49 -0.28 -0.98 1.57 4.57 -1.63 -2.67 114.58 115.65 1kee h GLU 703 Ca 0.55 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.93 1kee h GLU 703 Cb 1.24 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 29.79 1kee h GLU 703 CO -0.28 -0.14 0.58 0.87 -1.18 0.00 0.00 179.01 178.86 1kee h LYS 704 N -1.07 0.73 -0.53 1.92 6.56 -0.87 0.14 116.57 123.44 1kee h LYS 704 Ca -0.03 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.48 1kee h LYS 704 Cb 0.27 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.74 1kee h LYS 704 CO 0.05 0.48 0.17 0.00 -2.06 0.00 0.00 179.45 178.09 1kee h ALA 705 N 1.63 1.30 -0.84 3.86 0.00 0.40 0.96 119.26 126.57 1kee h ALA 705 Ca 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1kee h ALA 705 Cb 0.84 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1kee h ALA 705 CO -0.38 0.51 0.47 0.87 0.00 0.00 0.00 179.25 180.72 1kee h LYS 706 N 0.78 1.16 0.53 0.00 6.56 -0.42 0.82 116.57 126.00 1kee h LYS 706 Ca 0.18 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 1kee h LYS 706 Cb 0.22 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 1kee h LYS 706 CO -0.01 0.84 -0.38 0.93 -2.06 0.00 0.00 179.45 178.78 1kee h GLU 707 N 1.16 -0.83 -0.13 3.15 5.08 0.04 -3.25 114.58 119.80 1kee h GLU 707 Ca 0.30 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1kee h GLU 707 Cb 0.01 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1kee h GLU 707 CO -0.05 -0.56 0.06 0.82 -1.00 0.00 0.00 179.01 178.29 1kee h ILE 708 N -0.86 1.00 0.00 3.13 2.04 -0.66 -3.50 117.51 118.65 1kee h ILE 708 Ca -0.07 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1kee h ILE 708 Cb 0.71 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1kee h ILE 708 CO 0.04 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.82 1kee n GLY 709 N -1.13 0.59 3.81 5.37 0.00 0.28 -4.85 105.19 109.26 1kee n GLY 709 Ca -0.04 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 1kee n GLY 709 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kee s TYR 710 N -0.86 3.22 0.69 1.61 1.51 -1.26 -4.48 117.35 117.78 1kee s TYR 710 Ca 0.00 1.61 -0.11 0.00 -1.01 0.00 0.00 57.07 57.55 1kee s TYR 710 Cb 0.00 -2.93 0.01 0.00 -0.11 0.00 0.00 41.96 38.93 1kee s TYR 710 CO 0.00 -0.35 1.07 -1.25 -1.11 0.00 0.00 175.55 173.90 1kee s PRO 711 N -3.15 2.96 -0.03 -1.71 0.04 -1.26 -4.97 135.00 126.88 1kee s PRO 711 Ca 0.63 0.74 0.06 0.00 0.04 0.00 0.00 61.00 62.48 1kee s PRO 711 Cb -0.12 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1kee s PRO 711 CO 0.16 -1.03 -0.22 -0.51 0.04 0.00 0.00 177.00 175.44 1kee s LEU 712 N -5.45 2.02 -1.12 -3.56 1.02 0.22 -0.92 118.68 110.89 1kee s LEU 712 Ca 0.58 -0.41 -0.08 0.00 0.02 0.00 0.00 54.13 54.23 1kee s LEU 712 Cb -0.13 -1.15 0.27 0.00 0.02 0.00 0.00 46.19 45.21 1kee s LEU 712 CO 0.54 0.24 1.25 0.52 0.02 0.00 0.00 176.35 178.92 1kee n VAL 713 N 2.75 4.72 -1.80 -1.59 0.31 0.19 -0.17 118.33 122.74 1kee n VAL 713 Ca -0.16 -5.43 -0.43 0.00 -0.01 0.00 0.00 64.34 58.31 1kee n VAL 713 Cb 0.52 -2.46 -0.03 0.00 -0.91 0.00 0.00 33.84 30.97 1kee n VAL 713 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1kee s VAL 714 N -1.36 3.24 -0.31 2.52 1.01 -1.00 -3.57 120.40 120.94 1kee s VAL 714 Ca 0.32 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1kee s VAL 714 Cb -0.06 -3.32 0.07 0.00 0.00 0.00 0.00 36.38 33.07 1kee s VAL 714 CO -0.03 -0.21 -0.01 -0.13 0.00 0.00 0.00 175.10 174.73 1kee s ARG 715 N 6.05 2.09 0.00 2.72 0.52 -0.40 -2.65 118.95 127.28 1kee s ARG 715 Ca 0.90 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1kee s ARG 715 Cb -0.27 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.07 1kee s ARG 715 CO 0.34 -0.73 0.62 -0.35 0.02 0.00 0.00 175.30 175.20 1kee n PRO 716 N 4.46 0.00 -0.88 3.54 -0.05 -1.26 -1.55 135.00 139.26 1kee n PRO 716 Ca -0.08 0.43 0.00 0.00 -0.05 0.00 0.00 63.50 63.80 1kee n PRO 716 Cb 0.42 -1.12 0.00 0.00 -0.05 0.00 0.00 33.50 32.75 1kee n PRO 716 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1kee n ALA 724 N -1.24 -1.00 -2.87 0.55 0.00 -1.26 -4.23 120.51 110.45 1kee n ALA 724 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1kee n ALA 724 Cb 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.88 1kee n ALA 724 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1kee s MET 725 N -2.56 0.16 0.26 0.00 1.00 -1.26 -5.08 119.30 111.83 1kee s MET 725 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 55.69 55.52 1kee s MET 725 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 34.83 34.71 1kee s MET 725 CO 0.00 0.01 0.12 -2.00 0.00 0.00 0.00 175.02 173.15 1kee s GLU 726 N -0.36 1.42 -0.26 2.03 2.12 -1.08 -4.81 118.70 117.75 1kee s GLU 726 Ca -0.03 -1.78 -0.01 0.00 0.36 0.00 0.00 54.97 53.51 1kee s GLU 726 Cb -0.03 -0.12 0.08 0.00 0.26 0.00 0.00 34.13 34.33 1kee s GLU 726 CO -0.00 -0.35 0.05 0.42 -0.54 0.00 0.00 175.26 174.84 1kee s ILE 727 N -3.79 0.91 0.10 -3.70 1.01 -1.26 -2.36 121.20 112.10 1kee s ILE 727 Ca 0.38 -1.13 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 1kee s ILE 727 Cb 0.07 -1.52 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 1kee s ILE 727 CO 0.14 -0.44 0.71 -0.69 0.00 0.00 0.00 174.94 174.67 1kee s VAL 728 N 1.64 4.59 -0.22 2.92 1.01 0.76 -4.86 120.40 126.24 1kee s VAL 728 Ca 0.04 1.54 0.11 0.00 0.00 0.00 0.00 61.98 63.67 1kee s VAL 728 Cb -0.17 -4.06 -0.21 0.00 0.00 0.00 0.00 36.38 31.93 1kee s VAL 728 CO -0.16 0.48 -0.06 -1.22 0.00 0.00 0.00 175.10 174.13 1kee n TYR 729 N 2.04 0.00 -4.22 5.22 4.02 -1.26 0.71 117.16 123.66 1kee n TYR 729 Ca -0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.70 1kee n TYR 729 Cb 0.50 -0.98 -0.10 0.00 -0.02 0.00 0.00 39.34 38.74 1kee n TYR 729 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1kee s ASP 730 N -5.90 0.39 0.21 7.72 3.84 -1.26 -4.53 116.67 117.14 1kee s ASP 730 Ca -0.21 -1.40 -0.09 0.00 -0.00 0.00 0.00 52.55 50.86 1kee s ASP 730 Cb 0.07 0.34 0.31 0.00 -1.38 0.00 0.00 42.92 42.27 1kee s ASP 730 CO 0.71 -0.83 1.74 -0.08 -0.00 0.00 0.00 175.17 176.71 1kee h GLU 731 N 2.56 0.39 -0.49 2.11 4.81 -1.97 0.18 114.58 122.16 1kee h GLU 731 Ca -0.36 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1kee h GLU 731 Cb 1.25 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1kee h GLU 731 CO 0.54 0.26 0.25 0.00 -0.73 0.00 0.00 179.01 179.33 1kee h ALA 732 N 1.45 1.51 -0.47 2.92 0.00 -2.01 -1.26 119.26 121.40 1kee h ALA 732 Ca 0.33 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1kee h ALA 732 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1kee h ALA 732 CO -0.33 0.40 -0.11 -0.44 0.00 0.00 0.00 179.25 178.77 1kee h ASP 733 N 0.69 0.91 0.26 0.00 3.32 -1.45 -2.71 116.42 117.43 1kee h ASP 733 Ca 0.17 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1kee h ASP 733 Cb 0.05 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1kee h ASP 733 CO -0.03 1.05 -0.42 0.25 -1.72 0.00 0.00 179.24 178.38 1kee h LEU 734 N 0.74 -1.18 0.31 1.55 5.85 0.46 -0.51 115.31 122.53 1kee h LEU 734 Ca 0.12 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1kee h LEU 734 Cb 0.66 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1kee h LEU 734 CO 0.05 -0.52 -0.51 0.03 -0.34 0.00 0.00 178.44 177.14 1kee h ARG 735 N -0.74 -0.84 -0.72 1.25 3.08 -1.53 -0.24 114.38 114.65 1kee h ARG 735 Ca -0.01 0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.24 1kee h ARG 735 Cb 0.71 0.19 -0.14 0.00 0.08 0.00 0.00 29.97 30.82 1kee h ARG 735 CO -0.16 -0.56 -0.17 -2.13 -1.07 0.00 0.00 179.97 175.88 1kee n ARG 736 N -5.45 -0.06 0.24 0.04 0.63 -1.02 0.21 116.66 111.24 1kee n ARG 736 Ca -0.10 1.12 -0.15 0.00 -0.92 0.00 0.00 57.85 57.79 1kee n ARG 736 Cb 0.43 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.59 1kee n ARG 736 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1kee h TYR 737 N 0.00 -0.53 -1.07 -0.14 5.03 -0.63 -2.93 116.97 116.70 1kee h TYR 737 Ca 0.35 -0.01 0.37 0.00 2.58 0.00 0.00 58.73 62.01 1kee h TYR 737 Cb 0.53 0.18 -0.15 0.00 1.55 0.00 0.00 36.73 38.84 1kee h TYR 737 CO -0.55 -0.27 0.62 0.74 -1.32 0.00 0.00 178.16 177.39 1kee h PHE 738 N -0.70 0.82 0.68 -3.82 0.04 0.43 0.69 116.94 115.08 1kee h PHE 738 Ca -0.06 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1kee h PHE 738 Cb 0.51 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1kee h PHE 738 CO -0.02 -0.25 -0.44 0.37 -0.60 0.00 0.00 178.31 177.37 1kee h GLN 739 N 0.20 -1.02 -0.60 1.51 4.15 -0.56 -3.14 115.11 115.66 1kee h GLN 739 Ca 0.77 0.07 -0.08 0.00 0.77 0.00 0.00 58.65 60.18 1kee h GLN 739 Cb 1.99 0.23 -0.02 0.00 0.21 0.00 0.00 27.48 29.88 1kee h GLN 739 CO -0.60 -0.68 0.04 1.79 -1.93 0.00 0.00 178.83 177.46 1kee h THR 740 N -1.05 1.26 0.00 2.39 1.35 -1.25 -3.52 112.91 112.08 1kee h THR 740 Ca -0.09 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1kee h THR 740 Cb 0.85 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1kee h THR 740 CO 0.08 0.39 0.00 0.00 -0.25 0.00 0.00 175.52 175.74 1kee n ALA 741 N -2.47 0.00 0.00 6.62 0.00 0.23 -5.13 120.51 119.75 1kee n ALA 741 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1kee n ALA 741 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1kee n ALA 741 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1kee n VAL 750 N -0.18 0.00 -3.23 0.00 0.31 -1.01 -5.06 118.33 109.15 1kee n VAL 750 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1kee n VAL 750 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1kee n VAL 750 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1kee s LEU 751 N 0.00 4.35 -0.13 7.52 1.02 -0.59 -1.89 118.68 128.95 1kee s LEU 751 Ca 0.00 1.02 -0.04 0.00 0.02 0.00 0.00 54.13 55.14 1kee s LEU 751 Cb 0.00 -2.85 -0.03 0.00 0.02 0.00 0.00 46.19 43.33 1kee s LEU 751 CO 0.00 0.03 0.00 -0.76 0.02 0.00 0.00 176.35 175.65 1kee s LEU 752 N 0.27 3.52 -0.10 1.79 1.02 0.33 -1.28 118.68 124.24 1kee s LEU 752 Ca 0.30 0.04 -0.05 0.00 0.02 0.00 0.00 54.13 54.43 1kee s LEU 752 Cb -0.17 -1.84 0.04 0.00 0.02 0.00 0.00 46.19 44.24 1kee s LEU 752 CO 0.15 0.26 0.23 -1.81 0.02 0.00 0.00 176.35 175.19 1kee s ASP 753 N -0.16 -0.23 0.02 2.29 1.11 -1.23 -1.83 116.67 116.63 1kee s ASP 753 Ca 0.05 0.48 -0.30 0.00 0.18 0.00 0.00 52.55 52.95 1kee s ASP 753 Cb -0.13 0.38 -0.08 0.00 1.07 0.00 0.00 42.92 44.16 1kee s ASP 753 CO 0.02 -0.15 1.82 -2.28 1.18 0.00 0.00 175.17 175.76 1kee s HIS 754 N 1.10 1.71 -0.02 4.23 5.65 -0.56 0.56 115.29 127.95 1kee s HIS 754 Ca -0.08 -0.13 -0.30 0.00 0.25 0.00 0.00 55.06 54.80 1kee s HIS 754 Cb -0.09 -4.10 -0.05 0.00 -1.18 0.00 0.00 32.58 27.16 1kee s HIS 754 CO -0.07 -4.77 1.35 0.12 -0.65 0.00 0.00 174.74 170.72 1kee s PHE 755 N 3.97 2.91 -0.84 3.88 5.36 -0.10 -4.78 117.98 128.39 1kee s PHE 755 Ca 0.81 0.91 -0.21 0.00 -0.96 0.00 0.00 56.93 57.48 1kee s PHE 755 Cb -0.40 -3.60 0.09 0.00 -0.34 0.00 0.00 43.02 38.78 1kee s PHE 755 CO 0.36 -2.16 1.12 -0.51 -1.46 0.00 0.00 175.22 172.57 1kee s LEU 756 N 2.45 4.52 0.76 6.12 1.43 -1.26 -4.54 118.68 128.15 1kee s LEU 756 Ca 0.62 -1.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.06 1kee s LEU 756 Cb -0.29 -2.44 0.05 0.00 0.03 0.00 0.00 46.19 43.55 1kee s LEU 756 CO 0.25 -1.29 1.19 1.51 0.23 0.00 0.00 176.35 178.24 1kee s ASP 757 N 3.84 4.04 -1.17 2.29 1.47 -1.26 -3.81 116.67 122.07 1kee s ASP 757 Ca 0.31 2.31 -0.12 0.00 1.18 0.00 0.00 52.55 56.22 1kee s ASP 757 Cb -0.09 -2.58 0.02 0.00 -0.34 0.00 0.00 42.92 39.93 1kee s ASP 757 CO -0.01 -2.36 0.23 0.47 0.68 0.00 0.00 175.17 174.18 1kee n ASP 758 N -2.96 -0.93 -4.41 2.11 9.92 -1.26 -4.95 116.55 114.07 1kee n ASP 758 Ca 0.13 -1.07 -0.25 0.00 -0.53 0.00 0.00 54.79 53.07 1kee n ASP 758 Cb 0.51 -1.31 -0.11 0.00 -0.64 0.00 0.00 41.12 39.56 1kee n ASP 758 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kee s ALA 759 N -4.00 2.43 -0.17 2.24 0.00 -1.25 -4.80 121.76 116.20 1kee s ALA 759 Ca 0.17 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.32 1kee s ALA 759 Cb -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1kee s ALA 759 CO 0.82 0.36 0.47 0.08 0.00 0.00 0.00 175.76 177.49 1kee s VAL 760 N -1.89 5.16 0.11 0.00 1.01 0.03 -1.72 120.40 123.09 1kee s VAL 760 Ca 0.21 0.88 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 1kee s VAL 760 Cb -0.07 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1kee s VAL 760 CO 0.10 0.25 0.51 -0.70 0.00 0.00 0.00 175.10 175.26 1kee s GLU 761 N 1.20 3.97 0.02 2.72 2.12 -1.26 -0.06 118.70 127.40 1kee s GLU 761 Ca 0.23 0.47 0.01 0.00 0.36 0.00 0.00 54.97 56.04 1kee s GLU 761 Cb -0.15 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 1kee s GLU 761 CO 0.09 0.54 -0.04 0.08 -0.54 0.00 0.00 175.26 175.40 1kee s VAL 762 N -1.36 0.23 -0.06 3.70 1.01 0.21 -1.69 120.40 122.45 1kee s VAL 762 Ca 0.34 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1kee s VAL 762 Cb -0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1kee s VAL 762 CO 0.18 -0.23 -0.18 -1.81 0.00 0.00 0.00 175.10 173.06 1kee s ASP 763 N -0.85 3.64 -0.12 3.32 1.11 -0.14 -1.97 116.67 121.66 1kee s ASP 763 Ca -0.07 -0.34 -0.00 0.00 0.18 0.00 0.00 52.55 52.32 1kee s ASP 763 Cb -0.06 -0.93 0.02 0.00 1.07 0.00 0.00 42.92 43.03 1kee s ASP 763 CO -0.00 0.28 -0.10 -0.69 1.18 0.00 0.00 175.17 175.84 1kee s VAL 764 N -0.36 1.23 -0.20 -1.27 1.01 0.92 -1.01 120.40 120.73 1kee s VAL 764 Ca 0.03 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1kee s VAL 764 Cb -0.12 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1kee s VAL 764 CO 0.02 0.40 0.11 -1.81 0.00 0.00 0.00 175.10 173.83 1kee s ASP 765 N 1.60 6.04 0.24 3.32 -0.00 -0.09 -0.53 116.67 127.24 1kee s ASP 765 Ca 0.04 0.18 -0.08 0.00 -0.00 0.00 0.00 52.55 52.69 1kee s ASP 765 Cb -0.13 -2.06 -0.01 0.00 -0.00 0.00 0.00 42.92 40.72 1kee s ASP 765 CO -0.09 0.17 0.37 0.00 -0.00 0.00 0.00 175.17 175.62 1kee s ALA 766 N 0.42 0.30 -0.02 5.23 0.00 -0.09 0.74 121.76 128.34 1kee s ALA 766 Ca 0.07 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.87 1kee s ALA 766 Cb -0.12 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 1kee s ALA 766 CO -0.01 -0.77 -0.14 0.42 0.00 0.00 0.00 175.76 175.26 1kee s ILE 767 N -3.97 1.14 -0.05 0.00 1.01 0.14 -1.12 121.20 118.35 1kee s ILE 767 Ca 0.28 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1kee s ILE 767 Cb 0.02 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.52 1kee s ILE 767 CO 0.11 0.33 -0.13 0.00 0.00 0.00 0.00 174.94 175.25 1kee n ASP 769 N 3.43 3.36 0.00 0.00 3.85 -0.85 -1.52 116.55 124.82 1kee n ASP 769 Ca -0.20 -3.08 0.00 0.00 -0.71 0.00 0.00 54.79 50.80 1kee n ASP 769 Cb 0.53 -0.51 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 1kee n ASP 769 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kee n GLY 770 N -0.82 3.00 0.13 6.12 0.00 -1.26 -4.68 105.19 107.68 1kee n GLY 770 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1kee n GLY 770 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kee n GLU 771 N -2.00 0.29 -3.89 1.61 1.02 -1.26 -5.07 120.64 111.34 1kee n GLU 771 Ca 0.00 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.13 1kee n GLU 771 Cb 0.00 -1.20 -0.08 0.00 -0.02 0.00 0.00 31.44 30.14 1kee n GLU 771 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kee s MET 772 N -2.24 0.84 -0.14 3.49 0.23 -1.26 -5.15 119.30 115.07 1kee s MET 772 Ca -0.16 -1.01 -0.00 0.00 -1.03 0.00 0.00 55.69 53.49 1kee s MET 772 Cb 0.04 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.66 1kee s MET 772 CO 0.27 -0.26 -0.13 0.08 -2.03 0.00 0.00 175.02 172.94 1kee s VAL 773 N -3.88 2.96 -0.20 5.16 1.01 -1.26 -2.01 120.40 122.18 1kee s VAL 773 Ca 0.06 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1kee s VAL 773 Cb 0.05 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1kee s VAL 773 CO -0.10 0.52 0.01 -0.22 0.00 0.00 0.00 175.10 175.31 1kee s LEU 774 N 0.55 3.36 -0.37 3.92 2.96 0.20 -4.95 118.68 124.34 1kee s LEU 774 Ca -0.09 -0.15 -0.27 0.00 -0.22 0.00 0.00 54.13 53.41 1kee s LEU 774 Cb -0.16 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.70 1kee s LEU 774 CO 0.04 0.09 0.99 -0.63 -1.32 0.00 0.00 176.35 175.51 1kee s ILE 775 N 0.88 4.52 -0.10 6.68 -1.09 -1.26 0.23 121.20 131.06 1kee s ILE 775 Ca 0.01 1.33 -0.25 0.00 -2.23 0.00 0.00 60.65 59.52 1kee s ILE 775 Cb -0.14 -4.38 -0.21 0.00 -1.58 0.00 0.00 42.46 36.15 1kee s ILE 775 CO 0.02 -0.58 0.83 1.23 -1.23 0.00 0.00 174.94 175.21 1kee h GLY 776 N 10.21 -0.04 -5.10 6.18 0.00 -0.02 -3.40 103.07 110.90 1kee h GLY 776 Ca -0.22 0.01 0.15 0.00 0.00 0.00 0.00 47.33 47.27 1kee h GLY 776 CO 1.01 -0.01 0.72 -0.32 0.00 0.00 0.00 176.54 177.94 1kee s GLY 777 N -3.78 -0.00 -0.25 4.60 0.00 -0.83 -4.66 107.32 102.38 1kee s GLY 777 Ca -0.16 2.72 -0.06 0.00 0.00 0.00 0.00 44.72 47.22 1kee s GLY 777 CO 0.59 1.41 0.05 -0.42 0.00 0.00 0.00 173.10 174.73 1kee s ILE 778 N -0.57 4.01 -0.15 0.90 1.01 -1.26 -0.91 121.20 124.22 1kee s ILE 778 Ca 0.04 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1kee s ILE 778 Cb -0.02 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.55 1kee s ILE 778 CO -0.06 0.30 -0.21 -0.04 0.00 0.00 0.00 174.94 174.92 1kee s MET 779 N 1.56 3.02 -0.25 2.79 -1.94 -0.18 -4.14 119.30 120.17 1kee s MET 779 Ca 0.05 -0.85 -0.17 0.00 -1.71 0.00 0.00 55.69 53.01 1kee s MET 779 Cb -0.15 -2.47 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1kee s MET 779 CO 0.02 -0.06 0.48 -2.00 -0.01 0.00 0.00 175.02 173.45 1kee s GLU 780 N 0.93 4.09 0.66 2.03 2.12 -0.28 -0.96 118.70 127.28 1kee s GLU 780 Ca -0.04 0.28 -0.13 0.00 0.36 0.00 0.00 54.97 55.44 1kee s GLU 780 Cb -0.15 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 1kee s GLU 780 CO -0.04 -0.27 1.06 -1.01 -0.54 0.00 0.00 175.26 174.45 1kee s HIS 781 N 2.05 3.02 -0.14 5.30 3.76 -0.68 -0.92 115.29 127.68 1kee s HIS 781 Ca 0.21 1.47 -0.20 0.00 -0.15 0.00 0.00 55.06 56.39 1kee s HIS 781 Cb -0.16 -2.95 -0.17 0.00 1.11 0.00 0.00 32.58 30.41 1kee s HIS 781 CO 0.09 -1.22 0.44 0.82 -0.85 0.00 0.00 174.74 174.01 1kee h ILE 782 N -0.23 1.11 -3.54 0.60 5.03 -1.07 -3.44 117.51 115.97 1kee h ILE 782 Ca -0.45 -1.91 -0.52 0.00 -0.12 0.00 0.00 64.86 61.86 1kee h ILE 782 Cb 1.22 2.17 0.03 0.00 -3.03 0.00 0.00 36.82 37.21 1kee h ILE 782 CO 0.57 0.38 0.61 -1.61 -0.68 0.00 0.00 178.15 177.41 1kee s GLU 783 N -2.08 4.43 1.16 2.37 8.01 -1.26 -4.61 118.70 126.72 1kee s GLU 783 Ca -0.16 2.02 -0.13 0.00 0.01 0.00 0.00 54.97 56.72 1kee s GLU 783 Cb -0.01 -3.18 0.28 0.00 -4.31 0.00 0.00 34.13 26.92 1kee s GLU 783 CO 0.48 -0.16 1.03 1.14 0.01 0.00 0.00 175.26 177.76 1kee s GLN 784 N -0.61 -0.92 0.27 1.61 0.00 -1.26 -4.47 119.66 114.29 1kee s GLN 784 Ca 0.53 0.91 -0.30 0.00 -0.00 0.00 0.00 55.36 56.50 1kee s GLN 784 Cb -0.36 -1.55 -0.11 0.00 0.00 0.00 0.00 33.01 31.00 1kee s GLN 784 CO 0.41 -3.75 1.52 0.00 0.00 0.00 0.00 175.29 173.48 1kee s ALA 785 N -2.44 3.69 0.00 2.60 0.00 -0.70 -2.22 121.76 122.69 1kee s ALA 785 Ca 0.69 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.11 1kee s ALA 785 Cb -0.25 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1kee s ALA 785 CO 0.65 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1kee n GLY 786 N 2.15 0.66 3.53 0.00 0.00 -1.26 -4.76 105.19 105.51 1kee n GLY 786 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1kee n GLY 786 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 787 N -0.80 5.19 0.05 1.61 1.01 -0.94 -0.65 120.40 125.86 1kee s VAL 787 Ca 0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 61.98 61.51 1kee s VAL 787 Cb 0.00 -3.60 -0.18 0.00 0.00 0.00 0.00 36.38 32.60 1kee s VAL 787 CO 0.00 0.08 0.85 1.57 0.00 0.00 0.00 175.10 177.60 1kee n HIS 788 N 5.07 0.30 -0.15 5.22 -0.00 0.09 -4.75 115.22 120.99 1kee n HIS 788 Ca -0.13 0.96 0.17 0.00 0.46 0.00 0.00 57.72 59.18 1kee n HIS 788 Cb 0.50 -1.90 0.54 0.00 -0.12 0.00 0.00 29.99 29.01 1kee n HIS 788 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1kee h SER 789 N 2.26 0.32 1.09 0.26 4.64 -1.91 0.38 113.55 120.59 1kee h SER 789 Ca -0.41 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1kee h SER 789 Cb 1.33 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1kee h SER 789 CO 0.58 0.16 0.00 1.23 -0.87 0.00 0.00 176.83 177.93 1kee h GLY 790 N 0.34 0.00 -1.44 -0.77 0.00 -1.98 -2.93 103.07 96.29 1kee h GLY 790 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1kee h GLY 790 CO -0.11 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.65 1kee n ASP 791 N -2.82 2.94 -4.92 0.19 8.00 0.07 -4.74 116.55 115.28 1kee n ASP 791 Ca 0.02 -1.93 -0.30 0.00 0.71 0.00 0.00 54.79 53.29 1kee n ASP 791 Cb 0.32 -0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 1kee n ASP 791 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1kee s SER 792 N -1.02 6.40 0.43 -2.24 0.01 -0.89 -4.83 113.70 111.56 1kee s SER 792 Ca 0.26 0.36 -0.12 0.00 1.31 0.00 0.00 55.95 57.75 1kee s SER 792 Cb 0.14 -2.00 -0.07 0.00 0.21 0.00 0.00 66.02 64.30 1kee s SER 792 CO 0.18 0.08 0.82 0.00 0.41 0.00 0.00 173.24 174.73 1kee s ALA 793 N -1.66 3.27 0.07 1.44 0.00 -1.26 -4.66 121.76 118.96 1kee s ALA 793 Ca 0.37 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 1kee s ALA 793 Cb -0.12 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.19 1kee s ALA 793 CO 0.27 -0.04 0.24 0.00 0.00 0.00 0.00 175.76 176.24 1kee s SER 795 N -2.48 3.30 -0.20 0.00 0.15 -0.10 0.16 113.70 114.53 1kee s SER 795 Ca 0.00 -0.42 -0.03 0.00 0.70 0.00 0.00 55.95 56.20 1kee s SER 795 Cb 0.02 -0.69 0.06 0.00 -1.71 0.00 0.00 66.02 63.70 1kee s SER 795 CO -0.08 0.29 0.05 -0.22 1.20 0.00 0.00 173.24 174.48 1kee s LEU 796 N -0.42 1.15 0.91 3.45 0.20 0.05 -1.13 118.68 122.89 1kee s LEU 796 Ca 0.04 -0.87 -0.14 0.00 0.69 0.00 0.00 54.13 53.86 1kee s LEU 796 Cb -0.12 -0.57 0.17 0.00 -0.43 0.00 0.00 46.19 45.24 1kee s LEU 796 CO 0.01 -0.32 1.26 -2.84 -0.29 0.00 0.00 176.35 174.18 1kee s PRO 797 N 1.88 0.97 0.48 0.98 0.02 -1.26 -0.37 135.00 137.69 1kee s PRO 797 Ca 0.00 -0.39 -0.23 0.00 0.02 0.00 0.00 61.00 60.40 1kee s PRO 797 Cb -0.17 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1kee s PRO 797 CO -0.10 -2.18 1.00 0.00 -0.33 0.00 0.00 177.00 175.39 1kee n ALA 798 N -3.59 0.24 0.43 -1.55 0.00 -1.26 -4.79 120.51 109.99 1kee n ALA 798 Ca 0.14 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.82 1kee n ALA 798 Cb 0.60 -2.10 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 1kee n ALA 798 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1kee n TYR 799 N -0.85 0.00 0.00 0.00 0.18 -1.26 -4.72 117.16 110.51 1kee n TYR 799 Ca 0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 1kee n TYR 799 Cb 0.42 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 39.21 1kee n TYR 799 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1kee n THR 800 N -1.68 0.00 -2.13 -3.48 -2.24 -1.26 -5.09 114.28 98.40 1kee n THR 800 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1kee n THR 800 Cb 0.33 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 1kee n THR 800 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kee s LEU 801 N -0.63 4.39 0.64 3.22 1.43 -1.26 -4.99 118.68 121.48 1kee s LEU 801 Ca 0.00 2.44 -0.16 0.00 -1.03 0.00 0.00 54.13 55.38 1kee s LEU 801 Cb 0.00 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1kee s LEU 801 CO 0.00 -0.64 1.12 -0.94 0.23 0.00 0.00 176.35 176.11 1kee s SER 802 N 0.75 5.18 0.28 2.29 1.04 -1.26 -4.87 113.70 117.12 1kee s SER 802 Ca 0.62 2.05 -0.03 0.00 0.48 0.00 0.00 55.95 59.08 1kee s SER 802 Cb -0.38 -2.56 0.39 0.00 0.10 0.00 0.00 66.02 63.57 1kee s SER 802 CO 0.35 -1.58 1.90 -0.61 0.98 0.00 0.00 173.24 174.28 1kee h GLN 803 N 0.24 1.03 -0.62 4.02 5.75 -1.99 -0.99 115.11 122.55 1kee h GLN 803 Ca -0.47 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 57.91 1kee h GLN 803 Cb 1.25 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.57 1kee h GLN 803 CO 0.54 0.76 0.38 1.49 -2.65 0.00 0.00 178.83 179.35 1kee h GLU 804 N 1.04 0.84 -0.06 1.69 4.81 -1.99 0.86 114.58 121.77 1kee h GLU 804 Ca 0.26 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 1kee h GLU 804 Cb 0.04 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1kee h GLU 804 CO -0.04 0.60 -0.68 0.82 -0.73 0.00 0.00 179.01 178.97 1kee h ILE 805 N 0.84 1.40 -0.42 2.32 1.08 -1.81 -2.10 117.51 118.82 1kee h ILE 805 Ca 0.22 -2.13 -0.11 0.00 -0.39 0.00 0.00 64.86 62.46 1kee h ILE 805 Cb -0.03 2.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 1kee h ILE 805 CO -0.04 0.63 -0.17 1.56 -0.69 0.00 0.00 178.15 179.44 1kee h GLN 806 N 0.21 0.81 -0.71 2.37 4.20 -0.83 -1.46 115.11 119.69 1kee h GLN 806 Ca -0.02 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1kee h GLN 806 Cb 1.23 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 1kee h GLN 806 CO 0.11 0.92 0.45 -0.44 -0.67 0.00 0.00 178.83 179.20 1kee h ASP 807 N 0.72 0.83 -0.64 1.46 3.45 -0.57 0.28 116.42 121.95 1kee h ASP 807 Ca 0.11 -0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.47 1kee h ASP 807 Cb 0.68 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.21 1kee h ASP 807 CO 0.05 0.62 0.15 0.58 -1.57 0.00 0.00 179.24 179.08 1kee h VAL 808 N 0.97 1.26 -0.47 -1.35 2.07 -0.67 -1.87 116.25 116.19 1kee h VAL 808 Ca 0.26 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 1kee h VAL 808 Cb -0.07 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1kee h VAL 808 CO -0.05 0.35 -0.02 0.24 0.02 0.00 0.00 177.57 178.12 1kee h MET 809 N 0.95 0.84 -0.71 1.57 2.86 -0.14 -2.07 114.93 118.23 1kee h MET 809 Ca 0.20 -0.28 0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1kee h MET 809 Cb 0.37 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 1kee h MET 809 CO 0.00 0.90 0.47 0.00 1.06 0.00 0.00 176.91 179.34 1kee h ARG 810 N 0.69 0.64 -0.20 1.72 3.08 -0.23 -0.71 114.38 119.38 1kee h ARG 810 Ca 0.13 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 1kee h ARG 810 Cb 0.53 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1kee h ARG 810 CO 0.03 0.42 -0.40 1.96 -1.07 0.00 0.00 179.97 180.90 1kee h GLN 811 N 0.66 0.63 -0.34 0.04 4.20 -0.90 -2.53 115.11 116.86 1kee h GLN 811 Ca 0.32 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1kee h GLN 811 Cb 0.39 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1kee h GLN 811 CO -0.11 1.02 0.11 1.96 -0.67 0.00 0.00 178.83 181.14 1kee h GLN 812 N 0.31 0.49 -0.58 1.46 4.20 -0.83 -1.21 115.11 118.94 1kee h GLN 812 Ca 0.01 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1kee h GLN 812 Cb 1.01 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1kee h GLN 812 CO 0.09 0.43 0.22 0.28 -0.67 0.00 0.00 178.83 179.18 1kee h VAL 813 N 0.48 1.23 0.30 -0.54 2.07 -0.99 -0.78 116.25 118.03 1kee h VAL 813 Ca 0.12 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1kee h VAL 813 Cb 0.15 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1kee h VAL 813 CO -0.01 0.28 -0.14 -0.61 0.02 0.00 0.00 177.57 177.11 1kee h GLN 814 N 0.81 -0.39 -0.43 1.57 4.15 -0.91 0.24 115.11 120.14 1kee h GLN 814 Ca 0.19 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.72 1kee h GLN 814 Cb 0.23 0.09 -0.08 0.00 0.21 0.00 0.00 27.48 27.93 1kee h GLN 814 CO -0.01 -0.24 -0.07 0.87 -1.93 0.00 0.00 178.83 177.45 1kee h LYS 815 N -0.43 0.04 -0.61 1.69 6.56 -1.07 -1.86 116.57 120.89 1kee h LYS 815 Ca -0.04 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 1kee h LYS 815 Cb 0.33 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.95 1kee h LYS 815 CO 0.07 0.02 0.34 -0.07 -2.06 0.00 0.00 179.45 177.75 1kee h LEU 816 N 0.04 0.75 -0.02 2.94 3.38 -0.89 -1.62 115.31 119.90 1kee h LEU 816 Ca 0.21 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1kee h LEU 816 Cb 0.32 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1kee h LEU 816 CO -0.41 0.62 -0.23 0.00 0.09 0.00 0.00 178.44 178.51 1kee h ALA 817 N 1.16 -0.28 -0.06 1.53 0.00 0.25 -0.39 119.26 121.46 1kee h ALA 817 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1kee h ALA 817 Cb 0.03 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1kee h ALA 817 CO -0.04 -0.72 0.02 0.74 0.00 0.00 0.00 179.25 179.25 1kee h PHE 818 N -0.35 0.10 -0.05 0.00 0.04 -1.28 -1.79 116.94 113.60 1kee h PHE 818 Ca 0.07 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.86 1kee h PHE 818 Cb 0.44 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.51 1kee h PHE 818 CO -0.27 0.29 -0.24 1.49 -0.60 0.00 0.00 178.31 178.97 1kee h GLU 819 N -0.11 -0.34 0.00 1.51 4.57 -1.19 -1.70 114.58 117.32 1kee h GLU 819 Ca 0.02 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1kee h GLU 819 Cb 0.24 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1kee h GLU 819 CO 0.00 -0.22 0.00 1.28 -1.18 0.00 0.00 179.01 178.89 1kee n LEU 820 N -5.37 0.00 -1.95 1.64 4.77 -0.17 -4.88 117.00 111.05 1kee n LEU 820 Ca -0.04 0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 1kee n LEU 820 Cb 0.28 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1kee n LEU 820 CO 0.20 -0.25 0.11 0.00 -1.33 0.00 0.00 177.39 176.13 1kee n GLN 821 N -1.49 -3.61 -2.07 3.23 1.13 -0.64 -4.75 117.38 109.18 1kee n GLN 821 Ca 0.04 0.38 -0.41 0.00 -1.94 0.00 0.00 57.00 55.07 1kee n GLN 821 Cb 0.17 -4.06 -0.02 0.00 0.11 0.00 0.00 30.24 26.44 1kee n GLN 821 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1kee s VAL 822 N -3.15 2.63 -0.39 5.09 1.01 -0.73 -4.64 120.40 120.22 1kee s VAL 822 Ca 0.24 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.87 1kee s VAL 822 Cb -0.10 -3.40 0.16 0.00 0.00 0.00 0.00 36.38 33.03 1kee s VAL 822 CO 0.34 0.15 0.28 -0.13 0.00 0.00 0.00 175.10 175.74 1kee s ARG 823 N -1.79 0.79 0.00 2.72 1.81 -1.26 -4.08 118.95 117.14 1kee s ARG 823 Ca 0.50 -1.80 0.00 0.00 -1.72 0.00 0.00 55.73 52.71 1kee s ARG 823 Cb -0.41 -1.43 0.00 0.00 -0.45 0.00 0.00 34.95 32.66 1kee s ARG 823 CO 0.54 -1.30 0.00 0.41 -0.68 0.00 0.00 175.30 174.27 1kee n GLY 824 N 3.36 0.30 3.88 -3.53 0.00 -0.57 -1.97 105.19 106.66 1kee n GLY 824 Ca 0.21 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1kee n GLY 824 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kee s LEU 825 N 0.00 3.93 0.14 0.99 1.43 -1.26 -1.10 118.68 122.81 1kee s LEU 825 Ca 0.00 1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.96 1kee s LEU 825 Cb 0.00 -3.89 0.05 0.00 0.03 0.00 0.00 46.19 42.38 1kee s LEU 825 CO 0.00 -0.31 0.47 0.00 0.23 0.00 0.00 176.35 176.74 1kee s MET 826 N -3.61 1.14 -0.02 1.70 0.23 -0.27 -2.91 119.30 115.56 1kee s MET 826 Ca 0.50 -0.63 -0.01 0.00 -1.03 0.00 0.00 55.69 54.51 1kee s MET 826 Cb -0.10 0.51 0.01 0.00 -1.53 0.00 0.00 34.83 33.72 1kee s MET 826 CO 0.29 -0.47 0.06 1.21 -2.03 0.00 0.00 175.02 174.08 1kee s ASN 827 N -2.79 -0.03 -0.05 -1.18 3.84 -0.63 -0.91 114.94 113.19 1kee s ASN 827 Ca 0.02 0.11 0.04 0.00 0.21 0.00 0.00 52.86 53.24 1kee s ASN 827 Cb 0.01 0.07 -0.00 0.00 -0.55 0.00 0.00 41.25 40.78 1kee s ASN 827 CO -0.12 -0.06 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.27 1kee s VAL 828 N 0.38 1.42 -0.12 -5.21 1.01 0.31 -0.44 120.40 117.75 1kee s VAL 828 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1kee s VAL 828 Cb -0.04 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1kee s VAL 828 CO -0.01 0.41 -0.12 -1.10 0.00 0.00 0.00 175.10 174.28 1kee s GLN 829 N 0.12 3.27 0.26 2.72 -0.21 -0.06 -0.05 119.66 125.72 1kee s GLN 829 Ca -0.06 -0.67 0.06 0.00 0.02 0.00 0.00 55.36 54.71 1kee s GLN 829 Cb -0.12 -2.62 -0.06 0.00 1.00 0.00 0.00 33.01 31.22 1kee s GLN 829 CO 0.03 0.28 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.36 1kee s PHE 830 N 0.17 1.86 -0.02 0.91 0.08 -0.83 -0.41 117.98 119.74 1kee s PHE 830 Ca -0.07 -0.72 0.05 0.00 0.12 0.00 0.00 56.93 56.31 1kee s PHE 830 Cb -0.15 -1.04 -0.01 0.00 -0.57 0.00 0.00 43.02 41.25 1kee s PHE 830 CO 0.05 0.24 -0.16 0.00 -0.10 0.00 0.00 175.22 175.24 1kee s ALA 831 N -3.07 1.38 -0.21 5.36 0.00 -0.41 -0.62 121.76 124.19 1kee s ALA 831 Ca 0.28 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1kee s ALA 831 Cb 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1kee s ALA 831 CO 0.11 0.31 -0.11 0.08 0.00 0.00 0.00 175.76 176.15 1kee s VAL 832 N -0.26 2.69 -0.07 0.00 1.01 0.91 -0.47 120.40 124.21 1kee s VAL 832 Ca 0.04 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 1kee s VAL 832 Cb -0.08 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.09 1kee s VAL 832 CO 0.00 0.39 -0.03 -0.75 0.00 0.00 0.00 175.10 174.72 1kee s LYS 833 N 1.35 0.80 -1.34 2.72 2.20 -0.46 -0.79 119.74 124.22 1kee s LYS 833 Ca 0.03 -0.02 -0.03 0.00 -0.36 0.00 0.00 55.97 55.60 1kee s LYS 833 Cb -0.15 -0.99 -0.00 0.00 -1.51 0.00 0.00 37.83 35.18 1kee s LYS 833 CO -0.07 -0.21 0.53 0.09 -0.36 0.00 0.00 175.35 175.33 1kee n ASN 834 N 4.70 -1.23 -2.21 1.43 5.03 -1.26 -0.52 115.26 121.20 1kee n ASN 834 Ca -0.15 -0.97 -0.21 0.00 0.87 0.00 0.00 54.58 54.13 1kee n ASN 834 Cb 0.50 -3.32 -0.03 0.00 -1.02 0.00 0.00 39.78 35.92 1kee n ASN 834 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1kee n ASN 835 N -2.95 -5.83 -4.03 6.41 4.05 -1.26 -4.96 115.26 106.69 1kee n ASN 835 Ca -0.28 0.09 -0.24 0.00 0.45 0.00 0.00 54.58 54.61 1kee n ASN 835 Cb 0.67 -4.91 -0.16 0.00 1.23 0.00 0.00 39.78 36.61 1kee n ASN 835 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1kee s GLU 836 N -4.77 1.55 -0.13 1.20 2.02 0.32 -5.10 118.70 113.80 1kee s GLU 836 Ca 0.00 -0.40 -0.22 0.00 0.02 0.00 0.00 54.97 54.37 1kee s GLU 836 Cb 0.00 -1.32 -0.03 0.00 0.10 0.00 0.00 34.13 32.88 1kee s GLU 836 CO 0.00 0.06 0.66 0.08 0.02 0.00 0.00 175.26 176.08 1kee s VAL 837 N 0.54 5.04 0.08 2.63 1.01 -1.26 -1.35 120.40 127.08 1kee s VAL 837 Ca -0.12 1.32 0.10 0.00 0.00 0.00 0.00 61.98 63.28 1kee s VAL 837 Cb -0.14 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1kee s VAL 837 CO 0.03 0.19 -0.26 -0.31 0.00 0.00 0.00 175.10 174.74 1kee s TYR 838 N 1.30 2.29 -0.20 5.22 2.02 0.38 -4.55 117.35 123.82 1kee s TYR 838 Ca 0.33 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.49 1kee s TYR 838 Cb -0.17 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 1kee s TYR 838 CO 0.14 0.21 0.31 -1.17 -1.57 0.00 0.00 175.55 173.47 1kee s LEU 839 N -1.59 4.17 -0.22 -1.29 2.96 -0.13 -1.29 118.68 121.30 1kee s LEU 839 Ca 0.12 0.42 -0.13 0.00 -0.22 0.00 0.00 54.13 54.33 1kee s LEU 839 Cb -0.10 -2.38 -0.18 0.00 0.50 0.00 0.00 46.19 44.04 1kee s LEU 839 CO 0.04 0.01 -0.01 -0.38 -1.32 0.00 0.00 176.35 174.68 1kee n ILE 840 N 4.08 1.57 -3.60 6.68 5.41 0.46 -4.54 119.36 129.42 1kee n ILE 840 Ca -0.11 -0.34 -0.05 0.00 1.00 0.00 0.00 62.75 63.26 1kee n ILE 840 Cb 0.52 -1.84 -0.03 0.00 -0.71 0.00 0.00 39.64 37.58 1kee n ILE 840 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1kee s GLU 841 N -2.47 0.31 -0.15 0.38 -1.05 -1.12 -5.01 118.70 109.59 1kee s GLU 841 Ca -0.32 -0.08 0.02 0.00 -0.15 0.00 0.00 54.97 54.44 1kee s GLU 841 Cb 0.09 0.14 0.01 0.00 -0.44 0.00 0.00 34.13 33.93 1kee s GLU 841 CO 0.59 -0.13 -0.20 0.08 0.95 0.00 0.00 175.26 176.55 1kee s VAL 842 N -2.14 2.22 -0.43 1.83 1.01 -1.26 -0.88 120.40 120.76 1kee s VAL 842 Ca 0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1kee s VAL 842 Cb -0.01 -1.90 0.12 0.00 0.00 0.00 0.00 36.38 34.58 1kee s VAL 842 CO -0.05 0.54 0.20 0.20 0.00 0.00 0.00 175.10 176.00 1kee s ASN 843 N 0.84 5.11 0.00 3.32 0.01 0.41 -4.56 114.94 120.08 1kee s ASN 843 Ca -0.06 -2.20 -0.02 0.00 -0.71 0.00 0.00 52.86 49.87 1kee s ASN 843 Cb -0.15 -1.78 -0.10 0.00 0.41 0.00 0.00 41.25 39.62 1kee s ASN 843 CO -0.02 -0.48 1.74 -0.81 -1.51 0.00 0.00 177.10 176.03 1kee n PRO 844 N 4.33 0.82 -1.64 -0.60 -0.04 -1.26 -1.61 135.00 134.99 1kee n PRO 844 Ca 0.01 -0.38 -0.02 0.00 -0.04 0.00 0.00 63.50 63.07 1kee n PRO 844 Cb 0.41 -1.66 0.01 0.00 -0.04 0.00 0.00 33.50 32.21 1kee n PRO 844 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1kee n ARG 845 N 2.66 0.22 -2.50 0.54 1.85 -1.14 -4.86 116.66 113.42 1kee n ARG 845 Ca 0.16 -0.43 -0.41 0.00 -1.00 0.00 0.00 57.85 56.17 1kee n ARG 845 Cb 0.38 0.55 -0.04 0.00 -1.05 0.00 0.00 32.46 32.30 1kee n ARG 845 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kee s ALA 846 N -1.22 3.37 0.32 2.89 0.00 -0.62 -3.45 121.76 123.05 1kee s ALA 846 Ca 0.04 0.82 0.07 0.00 0.00 0.00 0.00 51.96 52.88 1kee s ALA 846 Cb -0.01 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1kee s ALA 846 CO 0.02 -0.24 0.29 0.00 0.00 0.00 0.00 175.76 175.83 1kee s ALA 847 N -0.04 3.84 0.63 0.00 0.00 -1.26 -4.81 121.76 120.11 1kee s ALA 847 Ca 0.51 -1.58 0.36 0.00 0.00 0.00 0.00 51.96 51.25 1kee s ALA 847 Cb -0.29 -1.26 2.08 0.00 0.00 0.00 0.00 23.12 23.65 1kee s ALA 847 CO 0.34 0.05 2.28 0.07 0.00 0.00 0.00 175.76 178.51 1kee h ARG 848 N 1.25 0.00 0.00 0.00 0.11 -1.92 -1.12 114.38 112.70 1kee h ARG 848 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1kee h ARG 848 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1kee h ARG 848 CO 0.58 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.90 1kee n THR 849 N -3.46 0.51 -0.17 0.08 -2.24 -1.26 -4.06 114.28 103.67 1kee n THR 849 Ca -0.03 -0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.69 1kee n THR 849 Cb 0.11 -0.71 0.08 0.00 -2.10 0.00 0.00 70.33 67.71 1kee n THR 849 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1kee h VAL 850 N 0.00 0.77 -0.48 2.28 2.07 -1.58 -1.52 116.25 117.79 1kee h VAL 850 Ca 0.00 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1kee h VAL 850 Cb 0.54 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1kee h VAL 850 CO 0.00 0.06 0.06 -0.65 0.02 0.00 0.00 177.57 177.06 1kee h PRO 851 N 0.33 0.76 -0.21 1.57 0.11 -1.81 -1.55 132.00 131.21 1kee h PRO 851 Ca 0.27 -0.17 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 1kee h PRO 851 Cb 0.32 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1kee h PRO 851 CO -0.29 0.73 0.03 0.35 -0.21 0.00 0.00 178.00 178.61 1kee h PHE 852 N 0.73 0.37 -0.87 0.65 3.04 -1.74 -1.26 116.94 117.85 1kee h PHE 852 Ca 0.15 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 1kee h PHE 852 Cb 0.36 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 1kee h PHE 852 CO 0.02 0.49 0.53 0.28 -2.02 0.00 0.00 178.31 177.61 1kee h VAL 853 N 0.14 1.24 -0.71 1.41 2.07 -1.04 0.12 116.25 119.49 1kee h VAL 853 Ca 0.06 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1kee h VAL 853 Cb 0.33 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1kee h VAL 853 CO 0.00 0.25 0.29 0.28 0.02 0.00 0.00 177.57 178.42 1kee h SER 854 N 1.20 0.95 -0.18 0.57 0.02 -1.01 0.13 113.55 115.23 1kee h SER 854 Ca 0.31 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 1kee h SER 854 Cb -0.06 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.24 1kee h SER 854 CO -0.06 0.84 -0.30 0.11 -1.14 0.00 0.00 176.83 176.28 1kee h LYS 855 N 1.02 0.52 -0.44 3.45 6.56 -0.55 0.27 116.57 127.41 1kee h LYS 855 Ca 0.24 -0.32 -0.05 0.00 -1.06 0.00 0.00 60.65 59.46 1kee h LYS 855 Cb 0.18 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.85 1kee h LYS 855 CO -0.02 0.92 0.06 0.00 -2.06 0.00 0.00 179.45 178.35 1kee h ALA 856 N 0.60 0.58 0.00 3.86 0.00 -0.52 -3.29 119.26 120.48 1kee h ALA 856 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1kee h ALA 856 Cb 0.88 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1kee h ALA 856 CO 0.07 0.31 -1.12 0.25 0.00 0.00 0.00 179.25 178.76 1kee n THR 857 N -4.47 0.11 -0.80 0.00 -2.24 0.43 -4.78 114.28 102.53 1kee n THR 857 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1kee n THR 857 Cb 0.25 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1kee n THR 857 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 858 N 1.38 0.76 3.41 3.38 0.00 0.95 -4.95 105.19 110.12 1kee n GLY 858 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1kee n GLY 858 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 859 N -2.85 3.56 -1.34 1.61 1.01 -1.14 -5.00 120.40 116.25 1kee s VAL 859 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 1kee s VAL 859 Cb 0.00 -2.57 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1kee s VAL 859 CO 0.00 0.47 1.96 -0.81 0.00 0.00 0.00 175.10 176.72 1kee n PRO 860 N 4.00 2.93 -0.27 2.72 -0.04 -1.26 -4.08 135.00 138.99 1kee n PRO 860 Ca -0.18 -2.91 0.09 0.00 -0.04 0.00 0.00 63.50 60.46 1kee n PRO 860 Cb 0.52 -3.40 0.23 0.00 -0.04 0.00 0.00 33.50 30.81 1kee n PRO 860 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1kee h LEU 861 N 11.75 0.07 -1.59 1.53 3.38 -1.93 0.15 115.31 128.67 1kee h LEU 861 Ca 0.49 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.61 1kee h LEU 861 Cb 0.77 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1kee h LEU 861 CO 1.65 -0.06 0.10 0.00 0.09 0.00 0.00 178.44 180.22 1kee h ALA 862 N 1.68 1.68 0.09 1.53 0.00 -1.91 0.16 119.26 122.49 1kee h ALA 862 Ca 0.48 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 55.07 1kee h ALA 862 Cb 0.88 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.57 1kee h ALA 862 CO -0.55 0.26 -0.97 0.87 0.00 0.00 0.00 179.25 178.85 1kee h LYS 863 N 0.38 0.50 -0.15 0.00 1.57 -1.08 -2.39 116.57 115.40 1kee h LYS 863 Ca 0.09 -0.66 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1kee h LYS 863 Cb 0.09 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1kee h LYS 863 CO -0.01 1.28 0.06 0.28 -0.57 0.00 0.00 179.45 180.49 1kee h VAL 864 N 0.03 1.15 0.00 0.50 2.07 -0.19 -2.33 116.25 117.48 1kee h VAL 864 Ca -0.15 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1kee h VAL 864 Cb 1.69 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1kee h VAL 864 CO 0.19 0.14 -0.10 0.00 0.02 0.00 0.00 177.57 177.82 1kee h ALA 865 N 0.90 1.71 -0.39 1.67 0.00 -0.81 -1.00 119.26 121.36 1kee h ALA 865 Ca 0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1kee h ALA 865 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1kee h ALA 865 CO -0.00 0.13 -0.20 0.00 0.00 0.00 0.00 179.25 179.17 1kee h ALA 866 N 1.90 0.55 -0.48 0.00 0.00 -1.14 -0.31 119.26 119.77 1kee h ALA 866 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1kee h ALA 866 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1kee h ALA 866 CO 0.01 0.51 0.11 0.00 0.00 0.00 0.00 179.25 179.88 1kee h ARG 867 N 0.63 0.77 -0.03 0.00 3.08 -0.81 -0.70 114.38 117.32 1kee h ARG 867 Ca 0.08 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 59.98 1kee h ARG 867 Cb 0.76 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 1kee h ARG 867 CO 0.06 0.76 -0.15 0.28 -1.07 0.00 0.00 179.97 179.85 1kee h VAL 868 N 0.66 0.62 -0.91 2.04 2.07 -1.01 0.18 116.25 119.89 1kee h VAL 868 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 1kee h VAL 868 Cb 0.33 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1kee h VAL 868 CO 0.00 0.00 0.59 0.24 0.02 0.00 0.00 177.57 178.42 1kee h MET 869 N -0.23 0.97 0.00 1.57 2.86 -0.73 0.71 114.93 120.08 1kee h MET 869 Ca 0.06 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1kee h MET 869 Cb 0.31 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1kee h MET 869 CO -0.17 0.65 0.00 0.00 1.06 0.00 0.00 176.91 178.45 1kee h ALA 870 N 1.52 1.00 0.00 6.32 0.00 -0.41 -3.36 119.26 124.33 1kee h ALA 870 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1kee h ALA 870 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1kee h ALA 870 CO -0.16 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1kee n GLY 871 N 0.14 0.55 3.37 0.00 0.00 0.24 -5.06 105.19 104.43 1kee n GLY 871 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1kee n GLY 871 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kee s LYS 872 N 0.00 3.46 0.94 1.61 2.20 0.41 -4.96 119.74 123.41 1kee s LYS 872 Ca 0.00 -0.59 -0.11 0.00 -0.36 0.00 0.00 55.97 54.91 1kee s LYS 872 Cb 0.00 -3.18 0.16 0.00 -1.51 0.00 0.00 37.83 33.30 1kee s LYS 872 CO 0.00 -0.22 1.10 -1.54 -0.36 0.00 0.00 175.35 174.33 1kee s SER 873 N 1.54 2.84 0.15 1.43 1.04 -1.26 -2.74 113.70 116.69 1kee s SER 873 Ca 0.06 1.87 -0.15 0.00 0.48 0.00 0.00 55.95 58.20 1kee s SER 873 Cb -0.15 -2.43 0.02 0.00 0.10 0.00 0.00 66.02 63.55 1kee s SER 873 CO 0.00 -3.10 1.74 -0.07 0.98 0.00 0.00 173.24 172.79 1kee h LEU 874 N -1.87 0.57 -0.25 2.42 3.38 -1.93 -0.92 115.31 116.71 1kee h LEU 874 Ca -0.48 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.40 1kee h LEU 874 Cb 1.28 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1kee h LEU 874 CO 0.47 0.52 0.07 0.00 0.09 0.00 0.00 178.44 179.59 1kee h ALA 875 N 1.07 0.27 -0.87 1.53 0.00 -1.93 0.13 119.26 119.45 1kee h ALA 875 Ca 0.15 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1kee h ALA 875 Cb 0.09 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1kee h ALA 875 CO -0.02 -0.34 0.57 0.93 0.00 0.00 0.00 179.25 180.38 1kee h GLU 876 N 0.18 0.92 0.00 0.00 5.08 -1.83 -0.93 114.58 118.00 1kee h GLU 876 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1kee h GLU 876 Cb 0.09 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1kee h GLU 876 CO -0.13 0.61 -0.29 1.96 -1.00 0.00 0.00 179.01 180.16 1kee h GLN 877 N 0.95 0.00 -0.54 2.33 4.20 -0.70 -3.48 115.11 117.86 1kee h GLN 877 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1kee h GLN 877 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1kee h GLN 877 CO -0.15 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.42 1kee n GLY 878 N 1.19 0.73 2.84 3.46 0.00 0.36 -5.03 105.19 108.75 1kee n GLY 878 Ca 0.03 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 1kee n GLY 878 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kee s VAL 879 N -2.54 1.43 0.00 1.61 1.01 -0.70 -4.89 120.40 116.32 1kee s VAL 879 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.17 1kee s VAL 879 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1kee s VAL 879 CO 0.00 -0.66 0.00 0.35 0.00 0.00 0.00 175.10 174.79 1kee n THR 880 N 4.57 0.00 -4.71 3.92 -2.24 -1.26 -4.37 114.28 110.18 1kee n THR 880 Ca 0.01 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 1kee n THR 880 Cb 0.42 0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 69.16 1kee n THR 880 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1kee s LYS 881 N -0.15 3.20 0.18 -0.78 -0.14 -1.26 -4.88 119.74 115.91 1kee s LYS 881 Ca 0.00 -0.64 -0.32 0.00 -1.36 0.00 0.00 55.97 53.65 1kee s LYS 881 Cb 0.00 -2.63 -0.11 0.00 -1.68 0.00 0.00 37.83 33.41 1kee s LYS 881 CO 0.00 0.35 1.61 -2.00 -0.76 0.00 0.00 175.35 174.55 1kee s GLU 882 N 0.01 4.19 -0.17 1.68 2.12 -1.26 -4.97 118.70 120.30 1kee s GLU 882 Ca -0.03 2.43 -0.15 0.00 0.36 0.00 0.00 54.97 57.58 1kee s GLU 882 Cb -0.14 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1kee s GLU 882 CO 0.04 -0.64 0.34 0.08 -0.54 0.00 0.00 175.26 174.54 1kee s VAL 883 N 1.13 5.26 -0.31 3.70 1.01 -1.26 -5.03 120.40 124.90 1kee s VAL 883 Ca 0.71 0.63 0.03 0.00 0.00 0.00 0.00 61.98 63.36 1kee s VAL 883 Cb -0.45 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.33 1kee s VAL 883 CO 0.32 0.34 -0.00 -0.63 0.00 0.00 0.00 175.10 175.12 1kee s ILE 884 N 0.74 2.32 0.91 2.22 -1.09 -1.26 -4.93 121.20 120.11 1kee s ILE 884 Ca 0.18 -2.03 -0.11 0.00 -2.23 0.00 0.00 60.65 56.47 1kee s ILE 884 Cb -0.14 -2.57 0.14 0.00 -1.58 0.00 0.00 42.46 38.31 1kee s ILE 884 CO 0.06 -0.37 1.10 -2.84 -1.23 0.00 0.00 174.94 171.66 1kee s PRO 885 N 1.00 1.15 0.00 2.79 0.02 -1.26 -4.93 135.00 133.77 1kee s PRO 885 Ca 0.03 1.18 0.29 0.00 0.02 0.00 0.00 61.00 62.52 1kee s PRO 885 Cb -0.20 -1.77 1.27 0.00 0.02 0.00 0.00 34.50 33.83 1kee s PRO 885 CO -0.06 -2.42 1.94 -0.35 -0.33 0.00 0.00 177.00 175.77 1kee n PRO 886 N -4.05 0.07 -4.43 5.54 -0.04 -1.26 -4.87 135.00 125.95 1kee n PRO 886 Ca 0.09 -0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 1kee n PRO 886 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1kee n PRO 886 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1kee s TYR 887 N -2.93 1.92 0.12 0.54 1.13 -1.26 -4.98 117.35 111.90 1kee s TYR 887 Ca 0.16 -0.86 -0.13 0.00 -1.41 0.00 0.00 57.07 54.83 1kee s TYR 887 Cb 0.19 -1.20 -0.07 0.00 -1.10 0.00 0.00 41.96 39.79 1kee s TYR 887 CO 0.52 0.10 0.51 0.71 -2.51 0.00 0.00 175.55 174.88 1kee s TYR 888 N -3.20 3.61 -0.15 -3.49 2.02 0.69 -4.55 117.35 112.28 1kee s TYR 888 Ca 0.33 1.00 0.02 0.00 -0.37 0.00 0.00 57.07 58.05 1kee s TYR 888 Cb 0.07 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 1kee s TYR 888 CO 0.13 0.47 -0.20 -1.12 -1.57 0.00 0.00 175.55 173.26 1kee s SER 889 N -1.67 3.03 -0.06 2.29 0.01 0.50 -1.31 113.70 116.49 1kee s SER 889 Ca 0.36 -0.60 0.06 0.00 1.31 0.00 0.00 55.95 57.08 1kee s SER 889 Cb -0.15 -1.41 -0.01 0.00 0.21 0.00 0.00 66.02 64.66 1kee s SER 889 CO 0.19 0.04 -0.24 -0.69 0.41 0.00 0.00 173.24 172.94 1kee s VAL 890 N 1.02 2.01 -0.09 3.43 1.01 0.19 -0.77 120.40 127.18 1kee s VAL 890 Ca -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1kee s VAL 890 Cb -0.15 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1kee s VAL 890 CO -0.06 0.56 -0.08 -0.75 0.00 0.00 0.00 175.10 174.77 1kee s LYS 891 N -0.15 3.03 0.08 2.72 2.20 0.12 0.41 119.74 128.15 1kee s LYS 891 Ca -0.04 -0.58 0.05 0.00 -0.36 0.00 0.00 55.97 55.05 1kee s LYS 891 Cb -0.14 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 1kee s LYS 891 CO 0.04 0.49 -0.15 -2.00 -0.36 0.00 0.00 175.35 173.37 1kee s GLU 892 N -0.35 0.88 0.38 4.03 2.56 -0.77 -0.13 118.70 125.30 1kee s GLU 892 Ca 0.05 -1.02 0.08 0.00 0.00 0.00 0.00 54.97 54.07 1kee s GLU 892 Cb -0.12 -0.89 -0.03 0.00 2.00 0.00 0.00 34.13 35.09 1kee s GLU 892 CO 0.02 0.19 0.32 0.14 -0.56 0.00 0.00 175.26 175.38 1kee s VAL 893 N -1.41 3.02 -0.11 3.70 -7.23 -1.26 0.33 120.40 117.45 1kee s VAL 893 Ca 0.00 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 1kee s VAL 893 Cb -0.09 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.78 1kee s VAL 893 CO 0.02 -0.08 -0.24 0.68 -0.31 0.00 0.00 175.10 175.18 1kee s VAL 894 N -2.41 2.06 0.07 1.32 -7.23 -0.11 -4.90 120.40 109.20 1kee s VAL 894 Ca 0.44 -1.01 0.04 0.00 -1.81 0.00 0.00 61.98 59.65 1kee s VAL 894 Cb -0.04 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1kee s VAL 894 CO 0.27 0.56 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.85 1kee s LEU 895 N 0.44 3.43 0.00 1.32 1.43 -1.26 -1.38 118.68 122.66 1kee s LEU 895 Ca -0.17 -0.15 0.13 0.00 -1.03 0.00 0.00 54.13 52.92 1kee s LEU 895 Cb -0.17 -2.12 0.47 0.00 0.03 0.00 0.00 46.19 44.39 1kee s LEU 895 CO 0.07 0.20 1.35 -0.81 0.23 0.00 0.00 176.35 177.39 1kee n PRO 896 N 0.81 1.65 -0.37 1.29 -0.04 -1.26 -4.49 135.00 132.59 1kee n PRO 896 Ca -0.12 -1.01 0.30 0.00 -0.04 0.00 0.00 63.50 62.63 1kee n PRO 896 Cb 0.52 -1.28 0.60 0.00 -0.04 0.00 0.00 33.50 33.30 1kee n PRO 896 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1kee h PHE 897 N 1.77 0.49 0.00 0.54 0.04 -1.92 0.14 116.94 117.99 1kee h PHE 897 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1kee h PHE 897 Cb 0.40 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1kee h PHE 897 CO 0.16 -0.03 0.00 0.27 -0.60 0.00 0.00 178.31 178.10 1kee n ASN 898 N -4.56 0.00 -0.00 2.17 6.94 -1.26 -1.02 115.26 117.53 1kee n ASN 898 Ca 0.29 -0.43 0.09 0.00 -0.02 0.00 0.00 54.58 54.51 1kee n ASN 898 Cb 1.13 -0.01 -0.12 0.00 -2.36 0.00 0.00 39.78 38.42 1kee n ASN 898 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1kee n LYS 899 N -1.01 0.81 -3.33 -3.83 4.76 0.48 -4.70 118.16 111.33 1kee n LYS 899 Ca 0.11 -0.10 -0.26 0.00 -2.87 0.00 0.00 58.31 55.20 1kee n LYS 899 Cb 0.05 -1.39 -0.08 0.00 -1.84 0.00 0.00 35.03 31.77 1kee n LYS 899 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1kee n PHE 900 N -1.83 0.25 -0.26 2.13 3.72 -0.19 -4.99 117.46 116.29 1kee n PHE 900 Ca -0.00 -3.62 0.19 0.00 -0.05 0.00 0.00 57.45 53.97 1kee n PHE 900 Cb 0.39 -0.21 0.49 0.00 -0.94 0.00 0.00 39.48 39.21 1kee n PHE 900 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1kee h PRO 901 N 4.61 0.43 0.00 -1.08 0.11 -1.83 -0.33 132.00 133.92 1kee h PRO 901 Ca 0.15 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1kee h PRO 901 Cb 0.85 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1kee h PRO 901 CO 0.50 0.29 -0.05 0.78 -0.21 0.00 0.00 178.00 179.31 1kee h GLY 902 N 0.45 0.00 -3.98 -0.55 0.00 -1.90 -3.43 103.07 93.65 1kee h GLY 902 Ca 0.49 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.31 1kee h GLY 902 CO -0.21 0.00 0.46 0.14 0.00 0.00 0.00 176.54 176.93 1kee s VAL 903 N -4.40 3.83 -0.46 4.60 1.01 -0.13 -4.77 120.40 120.07 1kee s VAL 903 Ca -0.04 1.65 -0.28 0.00 0.00 0.00 0.00 61.98 63.31 1kee s VAL 903 Cb 0.14 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1kee s VAL 903 CO 0.55 0.32 1.41 -0.62 0.00 0.00 0.00 175.10 176.76 1kee s ASP 904 N -0.39 6.28 0.00 3.32 3.68 -1.26 -4.89 116.67 123.41 1kee s ASP 904 Ca 0.47 0.66 -0.01 0.00 2.13 0.00 0.00 52.55 55.80 1kee s ASP 904 Cb -0.29 -2.54 -0.05 0.00 -1.45 0.00 0.00 42.92 38.58 1kee s ASP 904 CO 0.36 -1.51 1.12 -0.81 0.13 0.00 0.00 175.17 174.46 1kee n PRO 905 N 8.24 0.46 -4.40 4.34 -0.04 -1.26 -4.85 135.00 137.49 1kee n PRO 905 Ca 0.15 -0.19 -0.32 0.00 -0.04 0.00 0.00 63.50 63.10 1kee n PRO 905 Cb 0.48 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 1kee n PRO 905 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1kee s LEU 906 N 0.00 3.28 0.52 1.53 0.20 -1.26 -5.03 118.68 117.92 1kee s LEU 906 Ca 0.13 -0.10 -0.16 0.00 0.69 0.00 0.00 54.13 54.69 1kee s LEU 906 Cb 0.06 -1.88 -0.07 0.00 -0.43 0.00 0.00 46.19 43.87 1kee s LEU 906 CO 0.00 0.28 0.98 -0.76 -0.29 0.00 0.00 176.35 176.56 1kee s LEU 907 N -1.46 3.59 0.00 -0.68 1.43 -1.26 -5.05 118.68 115.24 1kee s LEU 907 Ca 0.18 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1kee s LEU 907 Cb -0.11 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.62 1kee s LEU 907 CO 0.08 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.66 1kee n GLY 908 N -1.70 1.50 0.06 -3.19 0.00 -1.26 -4.97 105.19 95.62 1kee n GLY 908 Ca 0.06 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.28 1kee n GLY 908 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kee n PRO 909 N 0.00 0.07 -4.34 1.61 -0.04 0.17 -0.74 135.00 131.74 1kee n PRO 909 Ca 0.00 0.43 -0.34 0.00 -0.04 0.00 0.00 63.50 63.55 1kee n PRO 909 Cb 0.00 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 31.68 1kee n PRO 909 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1kee s GLU 910 N -3.18 3.32 0.02 0.54 2.12 -1.26 -4.41 118.70 115.84 1kee s GLU 910 Ca 0.03 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 1kee s GLU 910 Cb 0.06 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 1kee s GLU 910 CO 0.21 0.50 1.08 1.41 -0.54 0.00 0.00 175.26 177.93 1kee s MET 911 N -0.33 4.49 0.00 4.30 -2.45 -1.26 -4.74 119.30 119.31 1kee s MET 911 Ca 0.07 1.58 0.00 0.00 -1.25 0.00 0.00 55.69 56.08 1kee s MET 911 Cb -0.12 -3.42 0.00 0.00 1.25 0.00 0.00 34.83 32.54 1kee s MET 911 CO 0.02 -0.16 0.00 0.54 1.05 0.00 0.00 175.02 176.47 1kee n ARG 912 N 4.00 4.49 -1.80 4.11 3.00 -1.26 -4.88 116.66 124.31 1kee n ARG 912 Ca 0.08 -0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.58 1kee n ARG 912 Cb 0.49 -0.33 0.04 0.00 0.00 0.00 0.00 32.46 32.66 1kee n ARG 912 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1kee s SER 913 N -0.64 5.16 -0.12 0.55 1.04 -1.26 -4.36 113.70 114.06 1kee s SER 913 Ca 0.00 2.02 0.15 0.00 0.48 0.00 0.00 55.95 58.60 1kee s SER 913 Cb 0.00 -2.55 -0.22 0.00 0.10 0.00 0.00 66.02 63.35 1kee s SER 913 CO 0.00 -1.60 0.14 0.35 0.98 0.00 0.00 173.24 173.11 1kee n THR 914 N -2.30 0.83 -3.56 2.02 -2.24 -0.48 -4.43 114.28 104.12 1kee n THR 914 Ca 0.11 -0.61 -0.05 0.00 -2.27 0.00 0.00 64.05 61.22 1kee n THR 914 Cb 0.52 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1kee n THR 914 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kee n GLY 915 N 1.89 2.08 3.40 3.38 0.00 -1.04 -4.59 105.19 110.31 1kee n GLY 915 Ca -0.20 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 1kee n GLY 915 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kee s GLU 916 N -2.19 1.21 0.25 1.61 -1.05 -1.26 -0.94 118.70 116.32 1kee s GLU 916 Ca 0.10 -0.83 0.04 0.00 -0.15 0.00 0.00 54.97 54.12 1kee s GLU 916 Cb -0.01 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.10 1kee s GLU 916 CO 0.07 -0.49 0.01 0.14 0.95 0.00 0.00 175.26 175.94 1kee s VAL 917 N -3.85 1.05 -0.06 1.83 -7.23 0.15 -4.37 120.40 107.92 1kee s VAL 917 Ca 0.07 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1kee s VAL 917 Cb 0.01 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1kee s VAL 917 CO -0.07 -0.26 -0.16 -0.32 -0.31 0.00 0.00 175.10 173.98 1kee s MET 918 N -3.87 1.89 -0.13 4.82 1.75 -0.32 -1.84 119.30 121.60 1kee s MET 918 Ca 0.30 -0.57 0.01 0.00 -1.25 0.00 0.00 55.69 54.18 1kee s MET 918 Cb 0.06 -1.58 -0.01 0.00 2.84 0.00 0.00 34.83 36.14 1kee s MET 918 CO 0.10 0.16 -0.15 0.20 -0.65 0.00 0.00 175.02 174.67 1kee s GLY 919 N 0.29 1.49 -0.26 2.11 0.00 0.17 -4.60 107.32 106.52 1kee s GLY 919 Ca -0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 43.65 1kee s GLY 919 CO 0.04 -0.17 0.00 0.14 0.00 0.00 0.00 173.10 173.10 1kee s VAL 920 N 0.44 3.41 0.14 1.40 1.01 -1.26 0.55 120.40 126.09 1kee s VAL 920 Ca -0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1kee s VAL 920 Cb -0.16 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1kee s VAL 920 CO 0.05 0.17 0.08 -0.83 0.00 0.00 0.00 175.10 174.57 1kee s GLY 921 N 1.42 0.96 0.31 4.51 0.00 -0.43 -4.60 107.32 109.49 1kee s GLY 921 Ca 0.02 -1.43 0.12 0.00 0.00 0.00 0.00 44.72 43.42 1kee s GLY 921 CO -0.01 -1.32 1.68 3.21 0.00 0.00 0.00 173.10 176.65 1kee h ARG 922 N 2.83 0.00 -5.49 2.90 3.08 -1.93 0.20 114.38 115.98 1kee h ARG 922 Ca -0.35 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.19 1kee h ARG 922 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.12 1kee h ARG 922 CO 0.58 0.53 -0.65 0.95 -1.07 0.00 0.00 179.97 180.31 1kee s THR 923 N -3.74 1.62 0.17 2.04 -4.23 -1.26 -4.55 115.64 105.68 1kee s THR 923 Ca -0.01 -2.08 -0.14 0.00 -1.18 0.00 0.00 61.69 58.28 1kee s THR 923 Cb 0.13 -2.62 0.06 0.00 1.34 0.00 0.00 72.50 71.41 1kee s THR 923 CO 0.74 -0.18 1.78 0.15 -0.54 0.00 0.00 174.62 176.58 1kee h PHE 924 N 2.16 0.74 -0.61 3.99 3.04 -1.95 -1.42 116.94 122.89 1kee h PHE 924 Ca -0.41 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 61.59 1kee h PHE 924 Cb 1.24 -0.24 -0.06 0.00 2.56 0.00 0.00 35.95 39.45 1kee h PHE 924 CO 0.67 0.53 0.30 0.00 -2.02 0.00 0.00 178.31 177.79 1kee h ALA 925 N 1.14 0.80 -0.43 2.41 0.00 -1.95 0.88 119.26 122.11 1kee h ALA 925 Ca 0.19 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1kee h ALA 925 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1kee h ALA 925 CO -0.03 -0.06 -0.06 1.49 0.00 0.00 0.00 179.25 180.59 1kee h GLU 926 N 0.56 0.81 -0.33 0.00 4.81 -1.83 -1.43 114.58 117.17 1kee h GLU 926 Ca 0.28 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1kee h GLU 926 Cb 0.23 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1kee h GLU 926 CO -0.21 0.90 0.20 0.00 -0.73 0.00 0.00 179.01 179.17 1kee h ALA 927 N 0.88 0.41 -0.64 2.92 0.00 -0.68 -1.71 119.26 120.44 1kee h ALA 927 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1kee h ALA 927 Cb 0.57 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1kee h ALA 927 CO 0.03 -0.15 0.37 0.35 0.00 0.00 0.00 179.25 179.86 1kee h PHE 928 N 0.41 0.86 -0.45 0.00 3.04 -0.82 -0.62 116.94 119.37 1kee h PHE 928 Ca 0.13 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.11 1kee h PHE 928 Cb -0.02 -0.28 -0.04 0.00 2.56 0.00 0.00 35.95 38.17 1kee h PHE 928 CO -0.07 0.60 0.22 0.00 -2.02 0.00 0.00 178.31 177.04 1kee h ALA 929 N 1.19 0.56 -0.61 2.41 0.00 -0.96 0.30 119.26 122.15 1kee h ALA 929 Ca 0.23 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1kee h ALA 929 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1kee h ALA 929 CO -0.04 -0.14 0.01 0.87 0.00 0.00 0.00 179.25 179.95 1kee h LYS 930 N 0.44 1.07 -0.33 0.00 1.57 -1.02 -1.38 116.57 116.91 1kee h LYS 930 Ca 0.20 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1kee h LYS 930 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1kee h LYS 930 CO -0.14 1.04 0.09 0.00 -0.57 0.00 0.00 179.45 179.86 1kee h ALA 931 N 0.99 0.43 -0.33 3.86 0.00 -0.33 0.56 119.26 124.44 1kee h ALA 931 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kee h ALA 931 Cb 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1kee h ALA 931 CO 0.03 0.08 0.21 0.37 0.00 0.00 0.00 179.25 179.95 1kee h GLN 932 N 0.37 0.43 -0.45 0.00 4.15 -0.32 0.35 115.11 119.64 1kee h GLN 932 Ca 0.10 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 1kee h GLN 932 Cb 0.28 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1kee h GLN 932 CO -0.00 0.30 -0.14 1.25 -1.93 0.00 0.00 178.83 178.30 1kee h LEU 933 N 0.44 0.91 -1.45 -2.39 5.85 -1.20 -2.74 115.31 114.73 1kee h LEU 933 Ca 0.12 -0.38 0.11 0.00 0.84 0.00 0.00 57.88 58.57 1kee h LEU 933 Cb -0.03 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 1kee h LEU 933 CO -0.02 1.08 0.50 1.23 -0.34 0.00 0.00 178.44 180.88 1kee h GLY 934 N 0.74 0.89 0.56 3.75 0.00 -0.36 -0.33 103.07 108.33 1kee h GLY 934 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1kee h GLY 934 CO 0.05 0.13 0.00 -1.14 0.00 0.00 0.00 176.54 175.58 1kee n SER 935 N -4.50 0.00 -0.76 0.19 3.41 0.06 -4.76 113.62 107.26 1kee n SER 935 Ca 0.13 -1.17 -0.07 0.00 -0.26 0.00 0.00 58.87 57.50 1kee n SER 935 Cb 0.39 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1kee n SER 935 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1kee n ASN 936 N -0.78 -2.84 -4.75 4.04 4.05 -0.13 -4.90 115.26 109.95 1kee n ASN 936 Ca 0.11 0.02 -0.41 0.00 0.45 0.00 0.00 54.58 54.75 1kee n ASN 936 Cb 0.05 -1.99 -0.03 0.00 1.23 0.00 0.00 39.78 39.05 1kee n ASN 936 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1kee s SER 937 N -2.72 6.86 -0.07 1.20 0.15 -1.10 -4.94 113.70 113.07 1kee s SER 937 Ca 0.00 2.52 0.10 0.00 0.70 0.00 0.00 55.95 59.26 1kee s SER 937 Cb 0.00 -2.63 0.40 0.00 -1.71 0.00 0.00 66.02 62.09 1kee s SER 937 CO 0.00 -0.52 1.22 0.35 1.20 0.00 0.00 173.24 175.49 1kee n THR 938 N 1.90 1.09 -1.66 6.45 -2.24 -1.26 -4.83 114.28 113.72 1kee n THR 938 Ca 0.04 -0.66 -0.46 0.00 -2.27 0.00 0.00 64.05 60.69 1kee n THR 938 Cb 0.42 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 1kee n THR 938 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1kee n MET 939 N 0.48 2.05 -4.26 -0.78 1.56 -1.26 -4.55 117.12 110.35 1kee n MET 939 Ca 0.14 0.74 -0.23 0.00 -0.27 0.00 0.00 57.70 58.08 1kee n MET 939 Cb 0.58 -2.47 -0.07 0.00 2.15 0.00 0.00 33.22 33.41 1kee n MET 939 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1kee s LYS 940 N 0.62 2.34 -0.05 2.12 -0.14 -1.26 -5.02 119.74 118.34 1kee s LYS 940 Ca 0.77 -1.41 0.18 0.00 -1.36 0.00 0.00 55.97 54.15 1kee s LYS 940 Cb -0.69 -2.18 0.62 0.00 -1.68 0.00 0.00 37.83 33.89 1kee s LYS 940 CO 0.41 0.33 1.52 1.63 -0.76 0.00 0.00 175.35 178.48 1kee n LYS 941 N -0.95 3.01 -3.78 1.68 5.02 -1.26 -4.93 118.16 116.96 1kee n LYS 941 Ca -0.06 -2.48 -0.09 0.00 -2.02 0.00 0.00 58.31 53.66 1kee n LYS 941 Cb 0.59 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1kee n LYS 941 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1kee s HIS 942 N -1.48 -0.12 0.00 2.13 -3.43 -1.26 -4.87 115.29 106.26 1kee s HIS 942 Ca 0.45 -0.25 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 1kee s HIS 942 Cb 0.26 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.91 1kee s HIS 942 CO 0.26 -1.04 0.00 0.41 -2.00 0.00 0.00 174.74 172.37 1kee n GLY 943 N -0.39 0.36 3.39 -1.38 0.00 -1.26 -4.81 105.19 101.09 1kee n GLY 943 Ca -0.07 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.43 1kee n GLY 943 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kee s ARG 944 N 0.00 3.19 0.09 1.61 3.52 -1.26 -0.57 118.95 125.54 1kee s ARG 944 Ca 0.00 -0.69 0.03 0.00 -0.13 0.00 0.00 55.73 54.94 1kee s ARG 944 Cb 0.00 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.78 1kee s ARG 944 CO 0.00 0.30 0.09 0.00 -0.81 0.00 0.00 175.30 174.88 1kee s ALA 945 N 0.12 3.56 -0.18 6.12 0.00 -0.10 -0.91 121.76 130.36 1kee s ALA 945 Ca -0.06 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 1kee s ALA 945 Cb -0.15 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1kee s ALA 945 CO 0.05 0.71 -0.13 -1.17 0.00 0.00 0.00 175.76 175.22 1kee s LEU 946 N -2.51 2.52 -0.15 0.00 2.96 -0.36 -0.61 118.68 120.54 1kee s LEU 946 Ca 0.29 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1kee s LEU 946 Cb -0.12 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1kee s LEU 946 CO 0.22 0.02 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.42 1kee s LEU 947 N 1.18 2.85 -0.38 -0.68 1.02 -0.42 -0.50 118.68 121.75 1kee s LEU 947 Ca 0.02 -0.30 0.06 0.00 0.02 0.00 0.00 54.13 53.93 1kee s LEU 947 Cb -0.14 -1.66 0.17 0.00 0.02 0.00 0.00 46.19 44.58 1kee s LEU 947 CO -0.05 0.14 0.53 -0.55 0.02 0.00 0.00 176.35 176.44 1kee s SER 948 N 0.50 -0.54 0.21 2.29 0.15 -0.22 -2.75 113.70 113.34 1kee s SER 948 Ca -0.07 -0.96 0.09 0.00 0.70 0.00 0.00 55.95 55.72 1kee s SER 948 Cb -0.15 1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 65.57 1kee s SER 948 CO 0.04 -0.22 -0.09 0.68 1.20 0.00 0.00 173.24 174.85 1kee s VAL 949 N 1.82 3.13 0.65 4.45 -7.23 -1.26 -1.76 120.40 120.20 1kee s VAL 949 Ca 0.16 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.41 1kee s VAL 949 Cb -0.09 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1kee s VAL 949 CO -0.08 -0.20 1.03 0.00 -0.31 0.00 0.00 175.10 175.54 1kee s ARG 950 N -3.08 3.21 0.03 4.82 1.70 -0.22 -4.77 118.95 120.64 1kee s ARG 950 Ca 0.27 0.52 -0.07 0.00 -0.47 0.00 0.00 55.73 55.98 1kee s ARG 950 Cb -0.08 -2.09 -0.02 0.00 -0.57 0.00 0.00 34.95 32.20 1kee s ARG 950 CO 0.16 -0.76 0.83 -1.91 -1.08 0.00 0.00 175.30 172.53 1kee n GLU 951 N -2.82 -0.10 0.00 3.89 0.00 -1.26 -0.27 120.64 120.08 1kee n GLU 951 Ca 0.06 0.82 0.01 0.00 0.00 0.00 0.00 57.16 58.05 1kee n GLU 951 Cb 0.56 -1.22 0.05 0.00 0.00 0.00 0.00 31.44 30.83 1kee n GLU 951 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kee n GLY 952 N -1.05 -0.56 0.02 8.31 0.00 -1.26 -1.03 105.19 109.62 1kee n GLY 952 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1kee n GLY 952 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kee n ASP 953 N -1.47 0.58 0.27 1.61 10.43 0.63 -4.46 116.55 124.13 1kee n ASP 953 Ca 0.01 0.00 0.09 0.00 2.57 0.00 0.00 54.79 57.46 1kee n ASP 953 Cb 0.03 1.70 0.48 0.00 1.84 0.00 0.00 41.12 45.16 1kee n ASP 953 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1kee h LYS 954 N 0.00 0.00 0.07 -1.24 1.57 0.35 -0.77 116.57 116.55 1kee h LYS 954 Ca -0.10 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.36 1kee h LYS 954 Cb 1.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1kee h LYS 954 CO 0.01 0.00 -1.80 1.49 -0.57 0.00 0.00 179.45 178.58 1kee h GLU 955 N 0.00 0.15 0.00 3.15 4.81 -1.78 -3.37 114.58 117.54 1kee h GLU 955 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1kee h GLU 955 Cb 0.96 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1kee h GLU 955 CO 0.00 0.90 -0.63 0.00 -0.73 0.00 0.00 179.01 178.55 1kee h ARG 956 N 0.04 0.00 -0.62 1.92 3.08 -1.45 -3.35 114.38 114.00 1kee h ARG 956 Ca -0.33 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.73 1kee h ARG 956 Cb 2.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 32.04 1kee h ARG 956 CO 0.10 0.00 0.41 -0.24 -1.07 0.00 0.00 179.97 179.17 1kee h VAL 957 N 0.00 1.15 -0.30 2.04 3.04 -1.58 -2.68 116.25 117.92 1kee h VAL 957 Ca 0.00 -0.28 0.07 0.00 -1.01 0.00 0.00 66.70 65.48 1kee h VAL 957 Cb 0.76 0.25 -0.08 0.00 -2.01 0.00 0.00 31.29 30.21 1kee h VAL 957 CO 0.00 0.15 -0.31 0.58 -1.01 0.00 0.00 177.57 176.98 1kee h VAL 958 N 0.82 0.28 -0.04 1.51 2.07 -1.77 0.72 116.25 119.84 1kee h VAL 958 Ca 0.23 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 1kee h VAL 958 Cb -0.07 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1kee h VAL 958 CO -0.05 0.00 -0.08 -0.78 0.02 0.00 0.00 177.57 176.67 1kee h ASP 959 N -0.29 0.05 -0.15 0.57 3.58 -1.75 -0.78 116.42 117.65 1kee h ASP 959 Ca 0.15 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.47 1kee h ASP 959 Cb 0.52 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1kee h ASP 959 CO -0.46 0.14 -0.39 0.25 -2.88 0.00 0.00 179.24 175.90 1kee h LEU 960 N 0.05 0.60 -0.44 2.28 5.85 -0.72 -2.08 115.31 120.86 1kee h LEU 960 Ca 0.01 -0.58 0.07 0.00 0.84 0.00 0.00 57.88 58.22 1kee h LEU 960 Cb 0.18 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1kee h LEU 960 CO 0.01 1.08 0.11 0.00 -0.34 0.00 0.00 178.44 179.29 1kee h ALA 961 N 0.54 0.49 -0.69 1.25 0.00 0.15 -0.15 119.26 120.85 1kee h ALA 961 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1kee h ALA 961 Cb 1.00 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1kee h ALA 961 CO 0.08 -0.29 0.45 0.00 0.00 0.00 0.00 179.25 179.48 1kee h ALA 962 N 1.32 0.89 -0.35 0.00 0.00 -1.16 0.15 119.26 120.12 1kee h ALA 962 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1kee h ALA 962 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1kee h ALA 962 CO -0.26 0.25 0.23 0.87 0.00 0.00 0.00 179.25 180.34 1kee h LYS 963 N 0.89 0.46 -0.61 0.00 1.57 -0.79 0.74 116.57 118.83 1kee h LYS 963 Ca 0.27 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1kee h LYS 963 Cb -0.04 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1kee h LYS 963 CO -0.08 0.31 0.12 -0.07 -0.57 0.00 0.00 179.45 179.15 1kee h LEU 964 N 0.48 0.92 -0.13 2.94 3.38 -0.38 -2.27 115.31 120.25 1kee h LEU 964 Ca 0.13 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1kee h LEU 964 Cb -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1kee h LEU 964 CO -0.03 0.91 0.07 -0.07 0.09 0.00 0.00 178.44 179.41 1kee h LEU 965 N 0.92 0.16 -1.84 1.67 3.38 -0.01 -1.77 115.31 117.83 1kee h LEU 965 Ca 0.19 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.17 1kee h LEU 965 Cb 0.38 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1kee h LEU 965 CO 0.01 0.21 0.33 0.50 0.09 0.00 0.00 178.44 179.57 1kee h LYS 966 N 0.10 0.18 0.00 1.13 3.64 0.80 -1.29 116.57 121.13 1kee h LYS 966 Ca 0.04 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1kee h LYS 966 Cb 0.09 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1kee h LYS 966 CO -0.01 0.12 -0.14 1.96 -2.27 0.00 0.00 179.45 179.11 1kee h GLN 967 N 0.18 0.00 0.00 1.90 1.08 -0.77 -3.46 115.11 114.03 1kee h GLN 967 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1kee h GLN 967 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1kee h GLN 967 CO -0.04 0.14 0.00 0.41 -0.95 0.00 0.00 178.83 178.40 1kee n GLY 968 N 0.46 1.38 3.90 3.46 0.00 -0.49 -4.91 105.19 109.00 1kee n GLY 968 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1kee n GLY 968 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kee s PHE 969 N -2.00 3.54 0.15 1.61 0.08 -0.77 -4.45 117.98 116.14 1kee s PHE 969 Ca 0.00 0.85 0.04 0.00 0.12 0.00 0.00 56.93 57.94 1kee s PHE 969 Cb 0.00 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 1kee s PHE 969 CO 0.00 -0.21 0.18 -1.21 -0.10 0.00 0.00 175.22 173.88 1kee s GLU 970 N -4.46 3.06 0.12 0.44 2.02 0.27 -4.47 118.70 115.67 1kee s GLU 970 Ca 0.48 -0.78 0.11 0.00 0.02 0.00 0.00 54.97 54.80 1kee s GLU 970 Cb -0.10 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 1kee s GLU 970 CO 0.41 0.50 -0.27 -0.51 0.02 0.00 0.00 175.26 175.41 1kee s LEU 971 N -3.09 2.31 0.13 1.80 1.43 -1.26 -0.93 118.68 119.06 1kee s LEU 971 Ca 0.32 -0.72 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1kee s LEU 971 Cb -0.10 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1kee s LEU 971 CO 0.25 0.19 -0.19 -1.81 0.23 0.00 0.00 176.35 175.02 1kee s ASP 972 N -1.93 2.48 0.08 2.29 1.11 0.22 -1.58 116.67 119.34 1kee s ASP 972 Ca 0.14 -0.77 -0.26 0.00 0.18 0.00 0.00 52.55 51.85 1kee s ASP 972 Cb -0.10 -0.13 0.08 0.00 1.07 0.00 0.00 42.92 43.84 1kee s ASP 972 CO 0.06 -0.01 0.70 0.00 1.18 0.00 0.00 175.17 177.09 1kee s ALA 973 N -1.63 -1.69 0.52 5.23 0.00 -0.62 -1.30 121.76 122.27 1kee s ALA 973 Ca 0.10 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 1kee s ALA 973 Cb -0.08 0.60 -0.00 0.00 0.00 0.00 0.00 23.12 23.64 1kee s ALA 973 CO 0.05 -0.68 0.79 0.95 0.00 0.00 0.00 175.76 176.87 1kee s THR 974 N -3.16 3.97 0.00 0.00 -4.23 -1.11 -1.64 115.64 109.47 1kee s THR 974 Ca 0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1kee s THR 974 Cb -0.01 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1kee s THR 974 CO -0.09 -0.46 0.14 1.57 -0.54 0.00 0.00 174.62 175.24 1kee n HIS 975 N -2.33 0.00 -0.14 3.99 -0.00 -1.26 0.10 115.22 115.58 1kee n HIS 975 Ca 0.03 0.00 0.16 0.00 0.46 0.00 0.00 57.72 58.36 1kee n HIS 975 Cb 0.57 0.00 0.53 0.00 -0.12 0.00 0.00 29.99 30.97 1kee n HIS 975 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1kee h GLY 976 N 0.00 0.61 0.68 1.57 0.00 -1.96 0.94 103.07 104.91 1kee h GLY 976 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1kee h GLY 976 CO 0.00 0.06 -0.02 -0.84 0.00 0.00 0.00 176.54 175.74 1kee h THR 977 N 0.37 1.30 -0.68 4.70 2.02 -1.47 -2.60 112.91 116.54 1kee h THR 977 Ca 0.35 -0.94 0.10 0.00 0.77 0.00 0.00 66.41 66.70 1kee h THR 977 Cb 0.85 1.79 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 1kee h THR 977 CO -0.10 0.26 0.45 0.00 0.37 0.00 0.00 175.52 176.50 1kee h ALA 978 N 0.66 1.95 0.26 6.16 0.00 0.15 -1.11 119.26 127.33 1kee h ALA 978 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1kee h ALA 978 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1kee h ALA 978 CO 0.01 -0.10 -0.13 0.82 0.00 0.00 0.00 179.25 179.85 1kee h ILE 979 N 0.51 0.74 -0.34 0.00 1.08 -0.69 -0.24 117.51 118.57 1kee h ILE 979 Ca 0.32 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.82 1kee h ILE 979 Cb 0.55 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 1kee h ILE 979 CO -0.10 0.00 0.14 0.58 -0.69 0.00 0.00 178.15 178.07 1kee h VAL 980 N -0.35 0.93 -0.48 1.67 2.07 -0.90 -1.72 116.25 117.47 1kee h VAL 980 Ca -0.04 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1kee h VAL 980 Cb 0.27 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1kee h VAL 980 CO 0.06 0.05 0.22 -0.07 0.02 0.00 0.00 177.57 177.85 1kee h LEU 981 N 0.29 0.63 -0.72 2.57 3.38 -1.20 -2.76 115.31 117.51 1kee h LEU 981 Ca 0.15 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.10 1kee h LEU 981 Cb 0.11 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 1kee h LEU 981 CO -0.14 0.59 0.32 1.23 0.09 0.00 0.00 178.44 180.53 1kee h GLY 982 N 0.63 1.07 2.00 0.83 0.00 0.59 0.25 103.07 108.45 1kee h GLY 982 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1kee h GLY 982 CO -0.02 -0.02 -0.06 0.83 0.00 0.00 0.00 176.54 177.28 1kee h GLU 983 N 0.51 0.00 -0.01 4.80 5.08 -1.09 -1.10 114.58 122.78 1kee h GLU 983 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1kee h GLU 983 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1kee h GLU 983 CO -0.33 0.06 -0.31 0.00 -1.00 0.00 0.00 179.01 177.43 1kee n ALA 984 N -2.16 3.20 -0.05 3.43 0.00 0.05 -4.92 120.51 120.06 1kee n ALA 984 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1kee n ALA 984 Cb 0.24 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1kee n ALA 984 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kee n GLY 985 N 1.36 0.76 3.45 0.00 0.00 -0.41 -5.06 105.19 105.28 1kee n GLY 985 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1kee n GLY 985 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kee s ILE 986 N -2.05 4.27 -0.47 -0.61 1.01 0.68 -4.94 121.20 119.08 1kee s ILE 986 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 1kee s ILE 986 Cb 0.00 -2.99 0.12 0.00 0.01 0.00 0.00 42.46 39.61 1kee s ILE 986 CO 0.00 0.35 0.30 0.20 0.00 0.00 0.00 174.94 175.79 1kee s ASN 987 N 1.54 5.46 0.84 3.58 0.02 -1.26 -1.10 114.94 124.01 1kee s ASN 987 Ca 0.06 -2.11 -0.13 0.00 -1.02 0.00 0.00 52.86 49.66 1kee s ASN 987 Cb -0.15 -1.91 0.11 0.00 0.02 0.00 0.00 41.25 39.32 1kee s ASN 987 CO 0.03 -0.58 1.20 -2.16 0.02 0.00 0.00 177.10 175.62 1kee s PRO 988 N 1.05 1.68 -0.16 -0.60 0.04 -1.26 -4.98 135.00 130.75 1kee s PRO 988 Ca 0.09 -0.03 -0.26 0.00 0.04 0.00 0.00 61.00 60.84 1kee s PRO 988 Cb -0.23 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1kee s PRO 988 CO -0.03 -1.76 0.87 0.50 0.04 0.00 0.00 177.00 176.62 1kee s ARG 989 N -5.63 4.31 0.46 4.56 3.52 -0.62 -4.88 118.95 120.67 1kee s ARG 989 Ca 0.65 1.09 -0.24 0.00 -0.13 0.00 0.00 55.73 57.10 1kee s ARG 989 Cb -0.09 -3.57 -0.07 0.00 -1.56 0.00 0.00 34.95 29.65 1kee s ARG 989 CO 0.50 -0.35 1.30 -1.17 -0.81 0.00 0.00 175.30 174.76 1kee s LEU 990 N 2.21 4.06 -0.01 -0.88 2.96 -1.26 -1.59 118.68 124.16 1kee s LEU 990 Ca 0.40 2.63 0.02 0.00 -0.22 0.00 0.00 54.13 56.96 1kee s LEU 990 Cb -0.17 -4.09 0.00 0.00 0.50 0.00 0.00 46.19 42.44 1kee s LEU 990 CO 0.13 -1.09 -0.06 0.54 -1.32 0.00 0.00 176.35 174.54 1kee s VAL 991 N -1.33 0.53 -0.01 1.68 0.11 -0.65 -4.82 120.40 115.89 1kee s VAL 991 Ca 0.63 -0.25 -0.23 0.00 -2.93 0.00 0.00 61.98 59.19 1kee s VAL 991 Cb -0.37 -0.47 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1kee s VAL 991 CO 0.46 0.16 0.70 0.20 -3.33 0.00 0.00 175.10 173.29 1kee s ASN 992 N 0.05 7.06 0.96 3.54 0.02 -1.11 -4.34 114.94 121.13 1kee s ASN 992 Ca -0.00 1.27 -0.12 0.00 -1.02 0.00 0.00 52.86 52.99 1kee s ASN 992 Cb -0.05 -2.42 0.17 0.00 0.02 0.00 0.00 41.25 38.97 1kee s ASN 992 CO -0.00 -0.02 1.09 -0.54 0.02 0.00 0.00 177.10 177.65 1kee s LYS 993 N 0.26 0.71 0.23 -0.60 1.02 -1.26 -2.79 119.74 117.31 1kee s LYS 993 Ca 0.36 0.76 -0.06 0.00 0.02 0.00 0.00 55.97 57.05 1kee s LYS 993 Cb -0.19 -1.75 0.37 0.00 -0.52 0.00 0.00 37.83 35.74 1kee s LYS 993 CO 0.19 -2.60 1.75 0.28 -0.92 0.00 0.00 175.35 174.05 1kee h VAL 994 N -1.81 0.74 0.00 3.17 2.07 -1.96 -0.13 116.25 118.33 1kee h VAL 994 Ca -0.52 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1kee h VAL 994 Cb 1.30 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1kee h VAL 994 CO 0.54 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.22 1kee n HIS 995 N -4.96 0.00 0.12 1.57 1.44 -1.26 -3.51 115.22 108.61 1kee n HIS 995 Ca 0.12 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.61 1kee n HIS 995 Cb 0.33 -0.24 -0.15 0.00 0.12 0.00 0.00 29.99 30.05 1kee n HIS 995 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1kee h GLU 996 N 0.00 0.43 0.00 -1.40 5.08 -1.34 -3.50 114.58 113.85 1kee h GLU 996 Ca 0.00 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 1kee h GLU 996 Cb 0.19 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1kee h GLU 996 CO 0.00 1.34 0.00 0.41 -1.00 0.00 0.00 179.01 179.76 1kee n GLY 997 N 1.70 0.15 3.47 -3.84 0.00 -1.22 -4.97 105.19 100.49 1kee n GLY 997 Ca -0.17 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 1kee n GLY 997 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kee s ARG 998 N 0.00 1.06 0.56 1.61 0.52 -1.26 -4.20 118.95 117.24 1kee s ARG 998 Ca 0.00 0.05 -0.07 0.00 -0.52 0.00 0.00 55.73 55.19 1kee s ARG 998 Cb 0.00 0.49 -0.02 0.00 0.52 0.00 0.00 34.95 35.94 1kee s ARG 998 CO 0.00 -0.36 0.89 -2.14 0.02 0.00 0.00 175.30 173.72 1kee s PRO 999 N -1.75 3.31 0.31 3.54 0.02 -1.26 -4.96 135.00 134.21 1kee s PRO 999 Ca -0.09 0.27 0.08 0.00 0.02 0.00 0.00 61.00 61.28 1kee s PRO 999 Cb -0.01 -2.26 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 1kee s PRO 999 CO 0.05 -0.49 0.21 -3.38 -0.33 0.00 0.00 177.00 173.05 1kee s HIS 1000N -2.96 2.87 0.28 6.54 -3.43 -1.26 -2.74 115.29 114.59 1kee s HIS 1000Ca 0.52 -0.28 0.01 0.00 -0.80 0.00 0.00 55.06 54.51 1kee s HIS 1000Cb -0.11 -1.62 0.66 0.00 -1.43 0.00 0.00 32.58 30.08 1kee s HIS 1000CO 0.47 0.33 1.68 -0.84 -2.00 0.00 0.00 174.74 174.38 1kee h ILE 1001N 1.43 0.44 -0.57 -5.38 -0.00 -1.84 0.65 117.51 112.24 1kee h ILE 1001Ca -0.45 -0.11 0.01 0.00 -0.00 0.00 0.00 64.86 64.31 1kee h ILE 1001Cb 1.25 0.10 -0.03 0.00 -0.00 0.00 0.00 36.82 38.14 1kee h ILE 1001CO 0.60 0.06 0.37 -0.61 -0.00 0.00 0.00 178.15 178.57 1kee h GLN 1002N 0.31 0.73 0.13 0.16 4.15 -1.93 2.86 115.11 121.52 1kee h GLN 1002Ca 0.52 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.89 1kee h GLN 1002Cb 0.99 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1kee h GLN 1002CO -0.56 0.48 -0.06 -0.44 -1.93 0.00 0.00 178.83 176.32 1kee h ASP 1003N 0.75 -0.14 -0.30 -0.69 3.45 -1.25 -0.35 116.42 117.89 1kee h ASP 1003Ca 0.21 -0.32 0.02 0.00 0.43 0.00 0.00 57.03 57.38 1kee h ASP 1003Cb -0.06 0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 1kee h ASP 1003CO -0.06 0.26 0.15 0.03 -1.57 0.00 0.00 179.24 178.05 1kee h ARG 1004N -0.57 0.30 0.07 3.56 3.08 0.10 0.79 114.38 121.72 1kee h ARG 1004Ca -0.02 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1kee h ARG 1004Cb 0.45 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1kee h ARG 1004CO 0.03 0.20 -0.10 0.82 -1.07 0.00 0.00 179.97 179.84 1kee h ILE 1005N 0.31 0.76 -0.20 2.04 2.04 0.51 -1.53 117.51 121.44 1kee h ILE 1005Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1kee h ILE 1005Cb 0.04 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1kee h ILE 1005CO -0.09 0.00 0.13 0.50 0.00 0.00 0.00 178.15 178.69 1kee h LYS 1006N -0.22 0.21 -0.11 2.37 3.64 -0.76 -2.03 116.57 119.67 1kee h LYS 1006Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1kee h LYS 1006Cb 0.22 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1kee h LYS 1006CO -0.05 0.14 0.00 0.09 -2.27 0.00 0.00 179.45 177.36 1kee n ASN 1007N -4.51 0.69 -0.36 4.20 5.03 0.25 -4.89 115.26 115.67 1kee n ASN 1007Ca 0.00 -1.86 -0.05 0.00 0.87 0.00 0.00 54.58 53.54 1kee n ASN 1007Cb 0.11 -0.07 -0.02 0.00 -1.02 0.00 0.00 39.78 38.78 1kee n ASN 1007CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kee n GLY 1008N 0.77 0.74 0.27 7.41 0.00 -0.76 -4.94 105.19 108.67 1kee n GLY 1008Ca 0.07 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 1kee n GLY 1008CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kee h GLU 1009N 0.15 0.81 -5.93 1.61 4.39 -1.49 -3.44 114.58 110.68 1kee h GLU 1009Ca -0.10 -0.05 -0.62 0.00 0.34 0.00 0.00 59.36 58.93 1kee h GLU 1009Cb 0.37 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1kee h GLU 1009CO 0.14 0.53 -0.35 0.71 -1.16 0.00 0.00 179.01 178.88 1kee s TYR 1010N -6.12 3.59 -1.15 4.33 2.02 -1.26 -4.31 117.35 114.45 1kee s TYR 1010Ca -0.13 0.64 0.12 0.00 -0.37 0.00 0.00 57.07 57.33 1kee s TYR 1010Cb 0.15 -2.04 0.01 0.00 -0.40 0.00 0.00 41.96 39.68 1kee s TYR 1010CO 0.77 0.61 0.72 0.25 -1.57 0.00 0.00 175.55 176.33 1kee n THR 1011N 1.19 0.00 -3.63 -0.71 -2.24 -0.09 -4.91 114.28 103.90 1kee n THR 1011Ca -0.11 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 1kee n THR 1011Cb 0.53 1.15 -0.07 0.00 -2.10 0.00 0.00 70.33 69.84 1kee n THR 1011CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1kee s TYR 1012N -1.49 -0.77 -0.03 4.78 5.04 -1.15 -4.10 117.35 119.63 1kee s TYR 1012Ca 0.10 1.88 0.02 0.00 -2.44 0.00 0.00 57.07 56.63 1kee s TYR 1012Cb 0.10 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.69 1kee s TYR 1012CO 0.29 -0.37 -0.09 0.42 -1.34 0.00 0.00 175.55 174.45 1kee s ILE 1013N 0.36 0.84 -0.20 3.14 1.01 0.81 -1.22 121.20 125.93 1kee s ILE 1013Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1kee s ILE 1013Cb -0.05 -0.75 0.04 0.00 0.01 0.00 0.00 42.46 41.71 1kee s ILE 1013CO 0.01 0.26 -0.11 -0.51 0.00 0.00 0.00 174.94 174.59 1kee s ILE 1014N 0.26 1.70 -0.15 2.92 1.10 0.35 -0.72 121.20 126.65 1kee s ILE 1014Ca -0.05 -1.03 -0.03 0.00 -0.51 0.00 0.00 60.65 59.03 1kee s ILE 1014Cb -0.10 -1.75 0.05 0.00 0.15 0.00 0.00 42.46 40.81 1kee s ILE 1014CO 0.01 0.19 0.06 0.21 -2.11 0.00 0.00 174.94 173.29 1kee s ASN 1015N 1.38 2.32 -0.10 4.50 3.04 -0.73 -1.05 114.94 124.30 1kee s ASN 1015Ca -0.01 -0.55 0.03 0.00 0.04 0.00 0.00 52.86 52.37 1kee s ASN 1015Cb -0.16 -0.39 -0.00 0.00 -1.54 0.00 0.00 41.25 39.16 1kee s ASN 1015CO -0.08 -0.30 -0.21 0.42 -3.04 0.00 0.00 177.10 173.88 1kee s THR 1016N 2.02 2.33 0.09 -5.21 -4.23 -0.72 -4.12 115.64 105.79 1kee s THR 1016Ca 0.02 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1kee s THR 1016Cb -0.15 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 1kee s THR 1016CO -0.07 0.55 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.53 1kee s THR 1017N 0.28 1.18 -0.13 3.99 2.01 -1.26 -1.05 115.64 120.65 1kee s THR 1017Ca -0.15 -1.44 -0.06 0.00 0.31 0.00 0.00 61.69 60.35 1kee s THR 1017Cb -0.17 -1.22 0.06 0.00 0.01 0.00 0.00 72.50 71.18 1kee s THR 1017CO 0.08 -0.29 0.29 -0.55 -0.69 0.00 0.00 174.62 173.46 1kee s SER 1018N -1.96 -0.01 0.00 3.53 0.15 -1.26 -4.97 113.70 109.18 1kee s SER 1018Ca 0.01 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1kee s SER 1018Cb -0.08 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1kee s SER 1018CO 0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1kee n GLY 1019N 4.87 2.25 0.26 9.45 0.00 -1.26 -4.56 105.19 116.20 1kee n GLY 1019Ca -0.15 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 44.82 1kee n GLY 1019CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1kee n ARG 1020N 1.75 -0.06 -0.04 1.61 3.00 -1.26 0.41 116.66 122.08 1kee n ARG 1020Ca 0.00 1.12 -0.13 0.00 -0.00 0.00 0.00 57.85 58.84 1kee n ARG 1020Cb 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 32.46 30.58 1kee n ARG 1020CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1kee h ARG 1021N 0.00 0.22 -0.51 -0.14 1.12 -1.99 -1.23 114.38 111.84 1kee h ARG 1021Ca 0.47 -0.12 0.06 0.00 -1.11 0.00 0.00 59.98 59.28 1kee h ARG 1021Cb 0.99 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.93 1kee h ARG 1021CO -0.70 0.67 0.34 0.00 -3.11 0.00 0.00 179.97 177.17 1kee h ALA 1022N 0.55 1.91 0.50 2.80 0.00 -0.28 -1.93 119.26 122.80 1kee h ALA 1022Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1kee h ALA 1022Cb 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1kee h ALA 1022CO 0.02 -0.00 -0.24 0.82 0.00 0.00 0.00 179.25 179.85 1kee h ILE 1023N 0.44 0.14 -0.48 0.00 2.04 -0.64 -2.42 117.51 116.60 1kee h ILE 1023Ca 0.22 -0.51 0.14 0.00 1.00 0.00 0.00 64.86 65.71 1kee h ILE 1023Cb 0.32 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1kee h ILE 1023CO -0.06 0.03 0.42 -0.33 0.00 0.00 0.00 178.15 178.21 1kee h GLU 1024N -1.12 0.00 0.12 2.37 5.08 -1.02 -1.61 114.58 118.40 1kee h GLU 1024Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1kee h GLU 1024Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1kee h GLU 1024CO 0.11 0.00 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.62 1kee h ASP 1025N 0.00 -0.14 0.00 1.42 3.45 -1.34 -3.24 116.42 116.57 1kee h ASP 1025Ca 0.23 -0.40 0.00 0.00 0.43 0.00 0.00 57.03 57.29 1kee h ASP 1025Cb 1.06 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 1kee h ASP 1025CO -0.00 0.38 0.00 -1.54 -1.57 0.00 0.00 179.24 176.51 1kee n SER 1026N -4.92 0.00 -0.10 6.45 3.41 -0.82 -4.08 113.62 113.56 1kee n SER 1026Ca -0.08 -1.25 0.16 0.00 -0.26 0.00 0.00 58.87 57.44 1kee n SER 1026Cb 0.27 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.78 1kee n SER 1026CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1kee h ARG 1027N 0.00 0.28 -0.07 4.33 2.43 -1.35 -1.82 114.38 118.18 1kee h ARG 1027Ca 0.00 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1kee h ARG 1027Cb 0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1kee h ARG 1027CO 0.00 0.19 -0.26 -0.24 -1.51 0.00 0.00 179.97 178.15 1kee h VAL 1028N 0.29 1.22 0.01 0.20 3.04 -1.85 -1.72 116.25 117.44 1kee h VAL 1028Ca 0.32 -1.02 -0.00 0.00 -1.01 0.00 0.00 66.70 64.98 1kee h VAL 1028Cb 0.83 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1kee h VAL 1028CO -0.08 0.30 -0.00 0.40 -1.01 0.00 0.00 177.57 177.18 1kee h ILE 1029N 0.12 1.27 -0.45 3.17 2.04 -1.65 -1.75 117.51 120.26 1kee h ILE 1029Ca 0.02 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1kee h ILE 1029Cb 0.52 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1kee h ILE 1029CO 0.04 0.21 0.23 0.03 0.00 0.00 0.00 178.15 178.66 1kee h ARG 1030N -0.37 0.63 -0.29 2.37 3.08 -1.58 -0.17 114.38 118.05 1kee h ARG 1030Ca -0.00 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 59.99 1kee h ARG 1030Cb 0.36 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1kee h ARG 1030CO 0.00 0.53 0.12 0.00 -1.07 0.00 0.00 179.97 179.55 1kee h ARG 1031N 0.58 0.25 -0.30 0.04 3.08 -1.32 -2.35 114.38 114.37 1kee h ARG 1031Ca 0.15 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1kee h ARG 1031Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1kee h ARG 1031CO -0.02 0.17 0.07 0.77 -1.07 0.00 0.00 179.97 179.89 1kee h SER 1032N 0.26 0.46 -1.00 7.04 0.02 -1.13 -1.58 113.55 117.62 1kee h SER 1032Ca 0.12 -0.23 0.16 0.00 -0.84 0.00 0.00 61.79 61.00 1kee h SER 1032Cb 0.07 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 62.39 1kee h SER 1032CO -0.11 0.58 0.62 0.00 -1.14 0.00 0.00 176.83 176.78 1kee h ALA 1033N 0.90 1.60 -0.03 3.77 0.00 -0.84 0.11 119.26 124.77 1kee h ALA 1033Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1kee h ALA 1033Cb 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1kee h ALA 1033CO 0.00 0.08 -0.02 1.25 0.00 0.00 0.00 179.25 180.56 1kee h LEU 1034N 0.88 0.07 -0.55 0.00 5.85 -1.21 0.25 115.31 120.59 1kee h LEU 1034Ca 0.54 -0.46 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1kee h LEU 1034Cb 0.70 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 1kee h LEU 1034CO -0.33 0.52 0.21 -0.61 -0.34 0.00 0.00 178.44 177.89 1kee h GLN 1035N -0.37 0.38 -0.07 1.25 4.15 -0.56 -1.94 115.11 117.96 1kee h GLN 1035Ca 0.01 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1kee h GLN 1035Cb 0.49 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1kee h GLN 1035CO 0.01 0.25 0.00 0.66 -1.93 0.00 0.00 178.83 177.82 1kee n TYR 1036N -4.99 0.08 -3.36 3.99 4.02 -0.04 -4.93 117.16 111.93 1kee n TYR 1036Ca 0.07 -0.04 -0.19 0.00 -0.01 0.00 0.00 57.90 57.73 1kee n TYR 1036Cb 0.23 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.61 1kee n TYR 1036CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1kee n LYS 1037N -0.23 -6.36 -3.79 -0.72 4.76 -0.73 -5.01 118.16 106.07 1kee n LYS 1037Ca 0.17 0.69 -0.37 0.00 -2.87 0.00 0.00 58.31 55.92 1kee n LYS 1037Cb 0.22 -5.28 -0.06 0.00 -1.84 0.00 0.00 35.03 28.06 1kee n LYS 1037CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1kee s VAL 1038N -3.27 5.41 0.08 -0.18 1.01 0.82 -4.78 120.40 119.49 1kee s VAL 1038Ca 0.39 0.34 -0.31 0.00 0.00 0.00 0.00 61.98 62.40 1kee s VAL 1038Cb -0.17 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1kee s VAL 1038CO 0.60 0.60 1.31 -2.28 0.00 0.00 0.00 175.10 175.34 1kee s HIS 1039N -0.95 3.29 0.05 5.22 2.46 -1.26 -4.60 115.29 119.49 1kee s HIS 1039Ca 0.16 1.08 0.04 0.00 0.47 0.00 0.00 55.06 56.81 1kee s HIS 1039Cb -0.13 -3.58 -0.03 0.00 -0.13 0.00 0.00 32.58 28.72 1kee s HIS 1039CO 0.06 -1.95 -0.11 1.52 -2.47 0.00 0.00 174.74 171.79 1kee s TYR 1040N 1.20 0.92 -0.06 3.88 -0.85 -1.26 -0.13 117.35 121.05 1kee s TYR 1040Ca 0.62 -0.46 0.05 0.00 -0.52 0.00 0.00 57.07 56.77 1kee s TYR 1040Cb -0.33 -0.54 -0.01 0.00 0.38 0.00 0.00 41.96 41.46 1kee s TYR 1040CO 0.29 -0.02 -0.22 -0.51 -1.52 0.00 0.00 175.55 173.58 1kee s ASP 1041N -1.55 3.31 0.00 -0.18 -0.00 0.10 -4.96 116.67 113.39 1kee s ASP 1041Ca -0.05 -0.44 0.14 0.00 -0.00 0.00 0.00 52.55 52.20 1kee s ASP 1041Cb -0.09 -0.87 0.28 0.00 -0.00 0.00 0.00 42.92 42.24 1kee s ASP 1041CO 0.01 0.26 1.18 0.35 -0.00 0.00 0.00 175.17 176.97 1kee n THR 1042N 2.86 0.58 -4.33 -1.27 -2.24 -1.26 -1.77 114.28 106.85 1kee n THR 1042Ca -0.17 -0.79 -0.18 0.00 -2.27 0.00 0.00 64.05 60.63 1kee n THR 1042Cb 0.52 0.84 -0.15 0.00 -2.10 0.00 0.00 70.33 69.44 1kee n THR 1042CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kee s THR 1043N -1.09 0.66 0.27 4.28 -4.23 -1.26 -4.50 115.64 109.77 1kee s THR 1043Ca 0.25 -0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 60.40 1kee s THR 1043Cb 0.14 -0.56 0.13 0.00 1.34 0.00 0.00 72.50 73.55 1kee s THR 1043CO 0.20 0.19 1.78 0.25 -0.54 0.00 0.00 174.62 176.50 1kee h LEU 1044N 6.02 0.75 -0.86 4.79 5.85 -1.93 -0.65 115.31 129.28 1kee h LEU 1044Ca -0.31 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1kee h LEU 1044Cb 1.18 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1kee h LEU 1044CO 0.50 0.80 0.57 0.78 -0.34 0.00 0.00 178.44 180.74 1kee h ASN 1045N 0.75 0.97 -0.49 1.25 4.21 -1.96 -1.29 115.58 119.03 1kee h ASN 1045Ca 0.15 -0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.57 1kee h ASN 1045Cb 0.40 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 1kee h ASN 1045CO 0.01 0.69 0.05 1.23 -1.29 0.00 0.00 177.43 178.12 1kee h GLY 1046N 1.14 0.95 0.93 2.83 0.00 -1.60 -2.85 103.07 104.48 1kee h GLY 1046Ca 0.33 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 47.05 1kee h GLY 1046CO -0.08 0.58 0.49 -1.33 0.00 0.00 0.00 176.54 176.19 1kee h GLY 1047N 1.00 1.07 1.48 4.60 0.00 -0.14 -0.62 103.07 110.46 1kee h GLY 1047Ca 0.17 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 1kee h GLY 1047CO 0.01 0.34 -0.08 0.74 0.00 0.00 0.00 176.54 177.56 1kee h PHE 1048N 0.97 0.68 -0.41 5.60 0.04 -1.09 0.29 116.94 123.02 1kee h PHE 1048Ca 0.29 -0.10 -0.10 0.00 2.80 0.00 0.00 57.97 60.86 1kee h PHE 1048Cb -0.05 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1kee h PHE 1048CO -0.03 0.70 -0.12 0.00 -0.60 0.00 0.00 178.31 178.26 1kee h ALA 1049N 1.33 0.56 -0.46 2.45 0.00 -1.18 -0.51 119.26 121.45 1kee h ALA 1049Ca 0.11 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1kee h ALA 1049Cb 0.49 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1kee h ALA 1049CO 0.03 0.45 0.27 1.15 0.00 0.00 0.00 179.25 181.15 1kee h THR 1050N 0.61 1.04 -0.44 0.00 2.02 -0.75 -0.88 112.91 114.51 1kee h THR 1050Ca 0.10 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 67.15 1kee h THR 1050Cb 0.65 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1kee h THR 1050CO 0.04 0.10 0.13 0.00 0.37 0.00 0.00 175.52 176.17 1kee h ALA 1051N 1.21 0.52 -0.42 6.16 0.00 -0.62 -2.21 119.26 123.90 1kee h ALA 1051Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1kee h ALA 1051Cb 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1kee h ALA 1051CO -0.09 -0.26 0.19 0.52 0.00 0.00 0.00 179.25 179.61 1kee h MET 1052N 0.29 0.61 -0.01 0.00 2.86 -0.57 -2.57 114.93 115.54 1kee h MET 1052Ca 0.21 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1kee h MET 1052Cb 0.23 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1kee h MET 1052CO -0.24 0.55 0.05 0.00 1.06 0.00 0.00 176.91 178.33 1kee h ALA 1053N 1.03 1.13 0.00 6.32 0.00 -0.57 -0.80 119.26 126.37 1kee h ALA 1053Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1kee h ALA 1053Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1kee h ALA 1053CO -0.02 -0.05 0.00 -0.07 0.00 0.00 0.00 179.25 179.12 1kee h LEU 1054N 0.00 0.00 -0.72 0.00 3.38 -1.09 -1.22 115.31 115.66 1kee h LEU 1054Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kee h LEU 1054Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1kee h LEU 1054CO -0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1kee n ASN 1055N -3.03 1.10 -4.49 -0.43 5.03 -0.31 -4.89 115.26 108.25 1kee n ASN 1055Ca -0.01 -1.44 -0.23 0.00 0.87 0.00 0.00 54.58 53.77 1kee n ASN 1055Cb 0.19 -0.02 -0.11 0.00 -1.02 0.00 0.00 39.78 38.82 1kee n ASN 1055CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kee s ALA 1056N -1.95 2.61 -0.30 5.41 0.00 -0.46 -5.01 121.76 122.05 1kee s ALA 1056Ca 0.38 -2.07 0.01 0.00 0.00 0.00 0.00 51.96 50.28 1kee s ALA 1056Cb 0.20 0.30 0.09 0.00 0.00 0.00 0.00 23.12 23.71 1kee s ALA 1056CO 0.32 -0.14 0.04 0.34 0.00 0.00 0.00 175.76 176.32 1kee s ASP 1057N -3.54 4.23 0.64 0.00 3.68 -1.26 -4.98 116.67 115.44 1kee s ASP 1057Ca 0.33 -1.69 0.41 0.00 2.13 0.00 0.00 52.55 53.73 1kee s ASP 1057Cb 0.07 -1.21 2.25 0.00 -1.45 0.00 0.00 42.92 42.57 1kee s ASP 1057CO 0.15 -0.36 2.27 0.00 0.13 0.00 0.00 175.17 177.36 1kee h ALA 1058N 7.89 1.04 -0.01 3.66 0.00 -1.87 -1.63 119.26 128.34 1kee h ALA 1058Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kee h ALA 1058Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1kee h ALA 1058CO 0.47 -0.04 -0.45 0.25 0.00 0.00 0.00 179.25 179.48 1kee n THR 1059N -2.99 0.00 0.00 0.00 -2.24 -1.26 -4.47 114.28 103.32 1kee n THR 1059Ca -0.03 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.50 1kee n THR 1059Cb 0.11 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 69.09 1kee n THR 1059CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1kee h GLU 1060N 1.46 -0.02 -3.54 -0.78 4.81 -1.71 -3.45 114.58 111.36 1kee h GLU 1060Ca 0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1kee h GLU 1060Cb 0.61 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 29.75 1kee h GLU 1060CO 0.00 -0.01 -0.57 0.21 -0.73 0.00 0.00 179.01 177.90 1kee s LYS 1061N -6.19 0.26 0.06 1.92 2.20 -1.26 -5.14 119.74 111.59 1kee s LYS 1061Ca -0.13 -0.10 0.09 0.00 -0.36 0.00 0.00 55.97 55.46 1kee s LYS 1061Cb 0.08 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 1kee s LYS 1061CO 0.67 -0.05 -0.24 0.14 -0.36 0.00 0.00 175.35 175.51 1kee s VAL 1062N -0.56 1.99 0.02 4.02 -7.23 -1.26 -5.02 120.40 112.36 1kee s VAL 1062Ca -0.06 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1kee s VAL 1062Cb -0.04 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 1kee s VAL 1062CO 0.00 0.24 -0.06 -0.51 -0.31 0.00 0.00 175.10 174.47 1kee s ILE 1063N -0.87 0.40 0.48 -0.62 2.07 -1.26 -5.10 121.20 116.30 1kee s ILE 1063Ca 0.10 -0.76 -0.04 0.00 -1.41 0.00 0.00 60.65 58.54 1kee s ILE 1063Cb -0.10 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 1kee s ILE 1063CO 0.03 -0.25 0.76 -0.94 -1.91 0.00 0.00 174.94 172.63 1kee s SER 1064N -1.08 6.16 0.35 4.50 1.04 -1.26 -4.50 113.70 118.91 1kee s SER 1064Ca -0.07 0.80 0.09 0.00 0.48 0.00 0.00 55.95 57.25 1kee s SER 1064Cb -0.07 -2.11 0.65 0.00 0.10 0.00 0.00 66.02 64.59 1kee s SER 1064CO 0.00 -0.61 1.81 0.58 0.98 0.00 0.00 173.24 176.01 1kee h VAL 1065N 0.25 1.25 -0.51 5.02 2.07 -0.51 0.02 116.25 123.85 1kee h VAL 1065Ca -0.47 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 65.77 1kee h VAL 1065Cb 1.22 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1kee h VAL 1065CO 0.61 0.35 -0.04 1.56 0.02 0.00 0.00 177.57 180.08 1kee h GLN 1066N 0.15 0.93 -0.39 1.57 7.50 -1.92 0.89 115.11 123.83 1kee h GLN 1066Ca 0.02 -0.32 -0.16 0.00 0.50 0.00 0.00 58.65 58.70 1kee h GLN 1066Cb 0.62 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.07 1kee h GLN 1066CO 0.04 0.97 -0.37 0.93 -1.50 0.00 0.00 178.83 178.90 1kee h GLU 1067N 0.79 0.93 0.49 1.46 5.08 -1.81 -1.50 114.58 120.03 1kee h GLU 1067Ca 0.14 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1kee h GLU 1067Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1kee h GLU 1067CO 0.03 1.14 -0.35 0.52 -1.00 0.00 0.00 179.01 179.35 1kee h MET 1068N 0.77 -0.79 -0.36 2.33 2.86 -0.69 -2.19 114.93 116.85 1kee h MET 1068Ca 0.07 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.86 1kee h MET 1068Cb 0.96 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 1kee h MET 1068CO 0.09 -0.53 0.26 0.45 1.06 0.00 0.00 176.91 178.25 1kee h HIS 1069N -0.82 0.02 0.00 -0.22 3.86 -0.79 -0.63 115.15 116.57 1kee h HIS 1069Ca -0.05 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 1kee h HIS 1069Cb 0.69 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1kee h HIS 1069CO -0.14 0.01 -0.34 0.00 0.86 0.00 0.00 177.93 178.32 1kee h ALA 1070N 1.82 0.90 0.00 2.45 0.00 -0.71 -2.91 119.26 120.81 1kee h ALA 1070Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1kee h ALA 1070Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1kee h ALA 1070CO -0.01 0.43 0.00 1.04 0.00 0.00 0.00 179.25 180.71 1kee n GLN 1071N -3.36 0.19 -2.30 0.00 6.02 -0.25 -4.79 117.38 112.89 1kee n GLN 1071Ca 0.01 0.25 -0.41 0.00 -0.01 0.00 0.00 57.00 56.84 1kee n GLN 1071Cb 0.55 -1.76 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 1kee n GLN 1071CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1kee s ILE 1072N -3.15 3.37 -2.53 5.09 1.01 -1.10 -4.85 121.20 119.05 1kee s ILE 1072Ca 0.09 1.16 0.20 0.00 0.00 0.00 0.00 60.65 62.10 1kee s ILE 1072Cb 0.12 -3.74 0.16 0.00 0.01 0.00 0.00 42.46 39.01 1kee s ILE 1072CO 0.50 0.19 1.14 0.29 0.00 0.00 0.00 174.94 177.05