#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9x n PRO 2 N 0.00 -0.00 -1.70 0.03 -0.04 -1.26 -3.09 135.00 128.93 1a9x n PRO 2 Ca 0.00 -0.21 -0.44 0.00 -0.04 0.00 0.00 63.50 62.81 1a9x n PRO 2 Cb 0.00 -0.12 -0.03 0.00 -0.04 0.00 0.00 33.50 33.31 1a9x n PRO 2 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1a9x n LYS 3 N -1.26 2.38 -1.75 0.54 2.85 -1.26 -4.01 118.16 115.65 1a9x n LYS 3 Ca 0.02 0.85 -0.41 0.00 -1.05 0.00 0.00 58.31 57.71 1a9x n LYS 3 Cb 0.06 -2.60 -0.00 0.00 -0.65 0.00 0.00 35.03 31.84 1a9x n LYS 3 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1a9x n ARG 4 N 2.60 2.52 -0.08 -1.58 1.74 0.08 -4.95 116.66 117.00 1a9x n ARG 4 Ca 0.12 0.88 -0.06 0.00 -0.77 0.00 0.00 57.85 58.03 1a9x n ARG 4 Cb 0.33 -2.57 -0.15 0.00 -1.02 0.00 0.00 32.46 29.04 1a9x n ARG 4 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1a9x n THR 5 N 0.42 1.06 1.06 0.55 -1.04 -1.26 -4.34 114.28 110.74 1a9x n THR 5 Ca 0.02 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.28 1a9x n THR 5 Cb 0.38 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1a9x n THR 5 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1a9x n ASP 6 N -2.62 0.76 -3.90 8.00 5.75 -1.26 -4.66 116.55 118.63 1a9x n ASP 6 Ca -0.26 -1.83 -0.18 0.00 -0.01 0.00 0.00 54.79 52.51 1a9x n ASP 6 Cb 1.01 -0.38 -0.16 0.00 -1.03 0.00 0.00 41.12 40.56 1a9x n ASP 6 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1a9x s ILE 7 N -1.16 0.43 -0.01 2.12 1.01 -1.26 -5.01 121.20 117.32 1a9x s ILE 7 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1a9x s ILE 7 Cb 0.00 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1a9x s ILE 7 CO 0.00 0.18 -0.00 0.29 0.00 0.00 0.00 174.94 175.41 1a9x n LYS 8 N 3.77 1.92 -5.00 2.79 4.01 -1.26 -4.98 118.16 119.41 1a9x n LYS 8 Ca -0.23 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.30 1a9x n LYS 8 Cb 0.52 -1.02 -0.16 0.00 -0.51 0.00 0.00 35.03 33.87 1a9x n LYS 8 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1a9x s SER 9 N -3.59 2.45 -0.06 4.39 1.04 -1.26 0.00 113.70 116.67 1a9x s SER 9 Ca -0.01 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.06 1a9x s SER 9 Cb 0.00 -0.46 0.01 0.00 0.10 0.00 0.00 66.02 65.67 1a9x s SER 9 CO 0.02 0.22 -0.12 -0.63 0.98 0.00 0.00 173.24 173.71 1a9x s ILE 10 N -0.27 1.12 -0.19 -1.02 1.09 -0.42 -1.79 121.20 119.73 1a9x s ILE 10 Ca 0.02 -0.49 -0.13 0.00 -1.10 0.00 0.00 60.65 58.95 1a9x s ILE 10 Cb -0.10 -1.01 -0.05 0.00 -1.06 0.00 0.00 42.46 40.24 1a9x s ILE 10 CO 0.01 0.35 0.27 -0.22 -0.10 0.00 0.00 174.94 175.25 1a9x s LEU 11 N 0.53 4.20 -0.16 2.97 2.96 0.33 -0.19 118.68 129.33 1a9x s LEU 11 Ca -0.12 0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 1a9x s LEU 11 Cb -0.14 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 1a9x s LEU 11 CO 0.03 0.07 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.40 1a9x s ILE 12 N 0.72 3.26 -0.21 6.68 1.01 0.77 -1.29 121.20 132.14 1a9x s ILE 12 Ca 0.14 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.01 1a9x s ILE 12 Cb -0.13 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1a9x s ILE 12 CO 0.04 0.50 0.63 -0.76 0.00 0.00 0.00 174.94 175.34 1a9x s LEU 13 N 0.61 4.12 0.89 2.97 1.43 -0.95 -2.26 118.68 125.49 1a9x s LEU 13 Ca -0.06 0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 53.70 1a9x s LEU 13 Cb -0.15 -2.87 0.13 0.00 0.03 0.00 0.00 46.19 43.33 1a9x s LEU 13 CO 0.03 -0.30 1.21 -0.83 0.23 0.00 0.00 176.35 176.69 1a9x s GLY 14 N 1.28 1.64 0.13 -3.19 0.00 0.16 -3.58 107.32 103.75 1a9x s GLY 14 Ca 0.28 -0.79 0.24 0.00 0.00 0.00 0.00 44.72 44.44 1a9x s GLY 14 CO 0.10 -0.19 1.30 0.00 0.00 0.00 0.00 173.10 174.31 1a9x h ALA 15 N -1.38 0.58 0.00 3.20 0.00 -1.81 -3.37 119.26 116.47 1a9x h ALA 15 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1a9x h ALA 15 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1a9x h ALA 15 CO 0.56 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1a9x n GLY 16 N 1.32 -1.78 3.75 0.00 0.00 -1.26 -4.74 105.19 102.48 1a9x n GLY 16 Ca 0.03 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1a9x n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a9x s PRO 17 N 0.00 2.67 0.08 1.61 0.04 -1.26 -4.48 135.00 133.67 1a9x s PRO 17 Ca 0.00 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 1a9x s PRO 17 Cb 0.00 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1a9x s PRO 17 CO 0.00 -1.42 1.17 0.42 0.04 0.00 0.00 177.00 177.21 1a9x s ILE 18 N -1.85 4.03 0.11 0.56 -1.09 -1.26 -4.94 121.20 116.75 1a9x s ILE 18 Ca 0.74 1.51 -0.01 0.00 -2.23 0.00 0.00 60.65 60.66 1a9x s ILE 18 Cb -0.28 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1a9x s ILE 18 CO 0.38 0.15 0.04 0.68 -1.23 0.00 0.00 174.94 174.96 1a9x s VAL 19 N 0.78 0.13 0.10 2.92 -7.23 -0.78 -2.66 120.40 113.67 1a9x s VAL 19 Ca 0.56 -1.86 -0.32 0.00 -1.81 0.00 0.00 61.98 58.55 1a9x s VAL 19 Cb -0.29 -1.90 -0.11 0.00 0.56 0.00 0.00 36.38 34.64 1a9x s VAL 19 CO 0.31 -0.60 1.81 -0.38 -0.31 0.00 0.00 175.10 175.93 1a9x n ILE 20 N -0.05 0.35 0.00 -0.62 5.41 -1.26 -1.13 119.36 122.06 1a9x n ILE 20 Ca -0.08 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1a9x n ILE 20 Cb 0.63 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1a9x n ILE 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a9x n GLY 21 N 4.15 1.86 2.90 7.39 0.00 -1.26 -4.95 105.19 115.29 1a9x n GLY 21 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1a9x n GLY 21 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a9x s GLN 22 N -0.97 0.76 0.00 1.61 0.74 -0.29 -4.63 119.66 116.89 1a9x s GLN 22 Ca 0.00 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.66 1a9x s GLN 22 Cb 0.00 -0.41 0.00 0.00 1.10 0.00 0.00 33.01 33.70 1a9x s GLN 22 CO 0.00 -1.22 0.00 0.00 -0.55 0.00 0.00 175.29 173.52 1a9x n ALA 23 N 4.09 0.00 0.13 1.58 0.00 -1.25 -1.86 120.51 123.21 1a9x n ALA 23 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.72 1a9x n ALA 23 Cb 0.50 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.39 1a9x n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x h GLU 25 N 0.00 0.00 0.00 0.00 9.09 -1.93 0.17 114.58 121.91 1a9x h GLU 25 Ca 0.18 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.56 1a9x h GLU 25 Cb 1.83 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.92 1a9x h GLU 25 CO -0.00 0.00 -0.43 0.74 0.05 0.00 0.00 179.01 179.37 1a9x h PHE 26 N 0.00 0.00 -0.06 2.06 0.04 -1.33 -1.98 116.94 115.67 1a9x h PHE 26 Ca 0.01 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.57 1a9x h PHE 26 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1a9x h PHE 26 CO 0.00 0.16 -0.82 0.22 -0.60 0.00 0.00 178.31 177.27 1a9x h ASP 27 N 0.00 0.57 -0.26 2.17 3.58 -0.88 0.50 116.42 122.10 1a9x h ASP 27 Ca -0.01 -0.40 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 1a9x h ASP 27 Cb 1.13 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1a9x h ASP 27 CO 0.02 1.17 0.03 0.22 -2.88 0.00 0.00 179.24 177.80 1a9x h TYR 28 N 0.30 0.47 0.01 0.28 3.20 -1.21 -0.17 116.97 119.85 1a9x h TYR 28 Ca -0.05 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 1a9x h TYR 28 Cb 1.42 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1a9x h TYR 28 CO 0.06 0.57 -0.00 0.77 -1.64 0.00 0.00 178.16 177.91 1a9x h SER 29 N 0.24 -0.01 -0.46 -2.11 0.02 -1.36 -1.02 113.55 108.85 1a9x h SER 29 Ca 0.08 -0.29 0.06 0.00 -0.84 0.00 0.00 61.79 60.80 1a9x h SER 29 Cb 0.36 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 1a9x h SER 29 CO 0.01 0.28 0.18 1.23 -1.14 0.00 0.00 176.83 177.39 1a9x h GLY 30 N -0.30 0.62 1.01 -3.77 0.00 -0.90 -0.71 103.07 99.02 1a9x h GLY 30 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1a9x h GLY 30 CO 0.00 0.04 0.47 0.00 0.00 0.00 0.00 176.54 177.05 1a9x h ALA 31 N 1.29 0.93 -0.81 3.60 0.00 -0.96 -1.49 119.26 121.82 1a9x h ALA 31 Ca 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1a9x h ALA 31 Cb 0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1a9x h ALA 31 CO -0.20 0.37 0.43 1.96 0.00 0.00 0.00 179.25 181.80 1a9x h GLN 32 N 0.99 1.14 -0.55 0.00 4.20 -0.31 -0.47 115.11 120.12 1a9x h GLN 32 Ca 0.27 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 1a9x h GLN 32 Cb -0.08 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.46 1a9x h GLN 32 CO -0.05 0.86 0.06 0.00 -0.67 0.00 0.00 178.83 179.03 1a9x h ALA 33 N 1.22 0.74 -0.40 3.87 0.00 -0.88 -0.57 119.26 123.24 1a9x h ALA 33 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a9x h ALA 33 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1a9x h ALA 33 CO -0.04 0.51 0.26 0.00 0.00 0.00 0.00 179.25 179.98 1a9x h LYS 35 N 0.54 -0.35 -0.70 0.00 3.64 -0.81 0.13 116.57 119.03 1a9x h LYS 35 Ca 0.15 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1a9x h LYS 35 Cb -0.06 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1a9x h LYS 35 CO -0.03 -0.23 0.15 0.00 -2.27 0.00 0.00 179.45 177.06 1a9x h ALA 36 N 0.51 0.92 -0.06 5.00 0.00 -0.93 -1.55 119.26 123.15 1a9x h ALA 36 Ca 0.09 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1a9x h ALA 36 Cb 0.50 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1a9x h ALA 36 CO -0.32 0.66 -0.54 -0.07 0.00 0.00 0.00 179.25 178.98 1a9x h LEU 37 N 1.06 0.59 -0.80 0.00 3.38 -0.89 -1.89 115.31 116.76 1a9x h LEU 37 Ca 0.22 -0.68 0.04 0.00 0.09 0.00 0.00 57.88 57.54 1a9x h LEU 37 Cb 0.40 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1a9x h LEU 37 CO 0.01 1.18 0.51 -0.09 0.09 0.00 0.00 178.44 180.13 1a9x h ARG 38 N 0.04 0.95 -0.67 1.13 2.43 -0.69 -0.73 114.38 116.83 1a9x h ARG 38 Ca -0.05 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1a9x h ARG 38 Cb 1.21 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1a9x h ARG 38 CO 0.11 0.63 0.34 0.93 -1.51 0.00 0.00 179.97 180.46 1a9x h GLU 39 N 0.97 0.94 0.00 0.20 5.08 -1.26 -1.20 114.58 119.32 1a9x h GLU 39 Ca 0.32 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1a9x h GLU 39 Cb 0.04 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1a9x h GLU 39 CO -0.12 0.71 0.00 0.39 -1.00 0.00 0.00 179.01 178.99 1a9x n GLU 40 N -4.35 0.46 -0.26 2.33 -0.58 -0.34 -4.91 120.64 112.99 1a9x n GLU 40 Ca 0.06 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1a9x n GLU 40 Cb 0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1a9x n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a9x n GLY 41 N 0.76 0.64 3.80 0.62 0.00 -0.45 -5.07 105.19 105.50 1a9x n GLY 41 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1a9x n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 42 N -2.54 2.96 -0.23 1.61 1.51 -0.98 -4.99 117.35 114.70 1a9x s TYR 42 Ca 0.00 1.47 -0.18 0.00 -1.01 0.00 0.00 57.07 57.36 1a9x s TYR 42 Cb 0.00 -2.96 -0.03 0.00 -0.11 0.00 0.00 41.96 38.86 1a9x s TYR 42 CO 0.00 -1.32 0.50 0.50 -1.11 0.00 0.00 175.55 174.11 1a9x s ARG 43 N -4.72 4.13 -0.16 -0.62 3.52 0.10 -4.50 118.95 116.69 1a9x s ARG 43 Ca 0.60 0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 56.48 1a9x s ARG 43 Cb -0.15 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 1a9x s ARG 43 CO 0.50 -0.23 0.03 0.08 -0.81 0.00 0.00 175.30 174.86 1a9x s VAL 44 N 1.92 4.48 -0.02 7.11 1.01 -1.26 -1.30 120.40 132.34 1a9x s VAL 44 Ca 0.22 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1a9x s VAL 44 Cb -0.15 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1a9x s VAL 44 CO 0.09 0.49 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 1a9x s ILE 45 N 0.23 1.78 0.04 2.22 1.01 0.74 -1.82 121.20 125.40 1a9x s ILE 45 Ca 0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 1a9x s ILE 45 Cb -0.13 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1a9x s ILE 45 CO 0.01 0.50 0.24 0.54 0.00 0.00 0.00 174.94 176.23 1a9x s ASN 46 N -0.44 -0.03 -0.07 3.58 4.22 -0.35 -0.16 114.94 121.69 1a9x s ASN 46 Ca 0.06 -0.30 0.04 0.00 -2.14 0.00 0.00 52.86 50.53 1a9x s ASN 46 Cb -0.09 0.32 -0.00 0.00 1.28 0.00 0.00 41.25 42.75 1a9x s ASN 46 CO -0.00 -0.58 -0.20 0.54 -2.04 0.00 0.00 177.10 174.82 1a9x s VAL 47 N -2.55 1.70 -0.25 3.54 0.11 -0.96 0.56 120.40 122.56 1a9x s VAL 47 Ca -0.05 -0.84 -0.07 0.00 -2.93 0.00 0.00 61.98 58.08 1a9x s VAL 47 Cb -0.01 -1.47 0.12 0.00 -1.53 0.00 0.00 36.38 33.48 1a9x s VAL 47 CO -0.04 0.48 0.52 0.21 -3.33 0.00 0.00 175.10 172.94 1a9x s ASN 48 N 0.21 -0.63 0.01 3.54 3.84 -0.09 -0.67 114.94 121.15 1a9x s ASN 48 Ca -0.11 1.15 0.20 0.00 0.21 0.00 0.00 52.86 54.31 1a9x s ASN 48 Cb -0.15 1.75 0.84 0.00 -0.55 0.00 0.00 41.25 43.14 1a9x s ASN 48 CO 0.05 -0.23 1.63 -1.54 -2.79 0.00 0.00 177.10 174.22 1a9x n SER 49 N 5.41 0.03 -4.56 -4.21 3.41 -1.22 -4.02 113.62 108.46 1a9x n SER 49 Ca -0.09 0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 58.60 1a9x n SER 49 Cb 0.49 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.87 1a9x n SER 49 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1a9x s ASN 50 N -3.06 6.43 0.51 4.04 2.47 -1.26 -1.11 114.94 122.96 1a9x s ASN 50 Ca 0.09 0.05 0.30 0.00 0.42 0.00 0.00 52.86 53.72 1a9x s ASN 50 Cb 0.13 -2.35 1.04 0.00 -1.45 0.00 0.00 41.25 38.61 1a9x s ASN 50 CO 0.36 -0.73 1.86 1.55 -3.72 0.00 0.00 177.10 176.42 1a9x h PRO 51 N 8.66 0.00 -1.02 0.43 0.13 -1.83 -3.31 132.00 135.06 1a9x h PRO 51 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1a9x h PRO 51 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1a9x h PRO 51 CO 0.89 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 1a9x n ALA 52 N -2.09 2.35 -2.35 -0.56 0.00 -1.26 -4.66 120.51 111.94 1a9x n ALA 52 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1a9x n ALA 52 Cb 0.38 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.68 1a9x n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a9x s THR 53 N -0.34 2.21 0.32 0.00 -4.23 -1.25 -4.52 115.64 107.84 1a9x s THR 53 Ca 0.00 -1.28 0.24 0.00 -1.18 0.00 0.00 61.69 59.47 1a9x s THR 53 Cb 0.00 -1.84 0.24 0.00 1.34 0.00 0.00 72.50 72.24 1a9x s THR 53 CO 0.00 0.42 1.95 0.40 -0.54 0.00 0.00 174.62 176.86 1a9x h ILE 54 N 4.27 0.67 0.00 2.99 1.08 -1.89 -2.49 117.51 122.14 1a9x h ILE 54 Ca -0.46 -0.85 -0.02 0.00 -0.39 0.00 0.00 64.86 63.15 1a9x h ILE 54 Cb 1.14 1.54 -0.00 0.00 -3.07 0.00 0.00 36.82 36.42 1a9x h ILE 54 CO 0.45 0.19 -0.08 0.00 -0.69 0.00 0.00 178.15 178.02 1a9x h MET 55 N 0.00 0.00 -0.63 2.37 -0.00 -1.93 -1.94 114.93 112.79 1a9x h MET 55 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1a9x h MET 55 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 1a9x h MET 55 CO 0.03 0.08 0.00 0.25 -0.00 0.00 0.00 176.91 177.27 1a9x n THR 56 N -3.32 1.33 -2.70 -0.10 -2.24 -0.94 -4.79 114.28 101.52 1a9x n THR 56 Ca -0.01 -0.94 -0.41 0.00 -2.27 0.00 0.00 64.05 60.42 1a9x n THR 56 Cb 0.28 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 1a9x n THR 56 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a9x s ASP 57 N -0.88 7.48 0.30 3.42 1.01 -0.73 -4.90 116.67 122.36 1a9x s ASP 57 Ca 0.43 1.84 0.05 0.00 0.71 0.00 0.00 52.55 55.58 1a9x s ASP 57 Cb 0.26 -2.59 0.76 0.00 1.01 0.00 0.00 42.92 42.35 1a9x s ASP 57 CO 0.23 -0.07 1.73 1.55 0.21 0.00 0.00 175.17 178.81 1a9x h PRO 58 N 5.44 0.53 0.00 8.23 0.13 -1.89 0.26 132.00 144.68 1a9x h PRO 58 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1a9x h PRO 58 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1a9x h PRO 58 CO 0.72 0.35 0.00 -0.85 -0.23 0.00 0.00 178.00 177.98 1a9x n GLU 59 N -4.93 0.73 0.04 0.86 0.28 -1.26 -3.05 120.64 113.32 1a9x n GLU 59 Ca 0.23 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.35 1a9x n GLU 59 Cb 0.64 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 32.12 1a9x n GLU 59 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1a9x n MET 60 N -1.02 0.28 -3.97 3.44 2.81 0.90 -4.98 117.12 114.58 1a9x n MET 60 Ca 0.18 0.04 -0.10 0.00 -1.81 0.00 0.00 57.70 56.00 1a9x n MET 60 Cb 0.09 -1.64 -0.03 0.00 -0.71 0.00 0.00 33.22 30.93 1a9x n MET 60 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a9x s ALA 61 N -3.18 -0.15 0.02 3.04 0.00 -1.17 -4.70 121.76 115.63 1a9x s ALA 61 Ca 0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 1a9x s ALA 61 Cb 0.14 0.99 -0.34 0.00 0.00 0.00 0.00 23.12 23.92 1a9x s ALA 61 CO 0.76 -0.88 0.97 -0.44 0.00 0.00 0.00 175.76 176.16 1a9x h ASP 62 N 2.14 0.73 -2.58 0.00 3.32 -1.64 -3.44 116.42 114.95 1a9x h ASP 62 Ca -0.27 -0.82 -0.40 0.00 0.02 0.00 0.00 57.03 55.55 1a9x h ASP 62 Cb 1.25 -0.24 -0.37 0.00 0.22 0.00 0.00 39.33 40.19 1a9x h ASP 62 CO 0.36 1.65 -0.69 0.00 -1.72 0.00 0.00 179.24 178.85 1a9x s ALA 63 N -2.61 0.03 -0.20 3.45 0.00 -0.87 -4.94 121.76 116.63 1a9x s ALA 63 Ca -0.09 -0.34 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 1a9x s ALA 63 Cb 0.05 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1a9x s ALA 63 CO 0.92 -1.45 0.05 0.99 0.00 0.00 0.00 175.76 176.27 1a9x s THR 64 N 2.24 4.56 -0.30 0.00 2.01 -1.26 -1.20 115.64 121.69 1a9x s THR 64 Ca 0.07 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 1a9x s THR 64 Cb -0.15 -3.07 0.05 0.00 0.01 0.00 0.00 72.50 69.34 1a9x s THR 64 CO -0.24 0.43 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.81 1a9x s TYR 65 N 0.72 3.29 -1.09 4.92 1.51 0.19 -0.70 117.35 126.19 1a9x s TYR 65 Ca 0.03 -1.97 -0.14 0.00 -1.01 0.00 0.00 57.07 53.98 1a9x s TYR 65 Cb -0.13 -2.14 0.19 0.00 -0.11 0.00 0.00 41.96 39.76 1a9x s TYR 65 CO 0.02 -0.82 1.24 0.42 -1.11 0.00 0.00 175.55 175.29 1a9x s ILE 66 N 1.22 5.20 0.06 2.71 1.01 -1.26 -0.91 121.20 129.23 1a9x s ILE 66 Ca -0.05 -2.53 -0.00 0.00 0.00 0.00 0.00 60.65 58.07 1a9x s ILE 66 Cb -0.20 -4.78 -0.04 0.00 0.01 0.00 0.00 42.46 37.45 1a9x s ILE 66 CO -0.02 -1.46 -0.04 -1.61 0.00 0.00 0.00 174.94 171.82 1a9x s GLU 67 N 1.16 0.63 0.14 2.79 0.41 -1.26 -4.62 118.70 117.95 1a9x s GLU 67 Ca 0.36 -1.19 -0.35 0.00 -0.41 0.00 0.00 54.97 53.38 1a9x s GLU 67 Cb -0.05 0.12 -0.15 0.00 -1.78 0.00 0.00 34.13 32.26 1a9x s GLU 67 CO -0.05 -0.09 1.40 -2.30 -0.49 0.00 0.00 175.26 173.74 1a9x n PRO 68 N 0.21 1.55 -1.56 0.39 -0.02 -1.26 -3.44 135.00 130.87 1a9x n PRO 68 Ca -0.15 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1a9x n PRO 68 Cb 0.60 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1a9x n PRO 68 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1a9x n ILE 69 N 2.61 3.76 -4.73 4.25 5.41 -1.26 -4.64 119.36 124.77 1a9x n ILE 69 Ca 0.17 -2.83 -0.33 0.00 1.00 0.00 0.00 62.75 60.76 1a9x n ILE 69 Cb 0.24 -2.61 -0.12 0.00 -0.71 0.00 0.00 39.64 36.44 1a9x n ILE 69 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1a9x s HIS 70 N 2.83 2.85 0.34 1.39 2.46 -1.26 -4.99 115.29 118.90 1a9x s HIS 70 Ca 0.56 -0.05 0.05 0.00 0.47 0.00 0.00 55.06 56.09 1a9x s HIS 70 Cb 0.15 -1.68 0.70 0.00 -0.13 0.00 0.00 32.58 31.63 1a9x s HIS 70 CO -0.08 0.27 1.90 0.11 -2.47 0.00 0.00 174.74 174.48 1a9x h TRP 71 N 5.29 0.88 -0.50 3.88 5.08 -1.92 0.43 115.95 129.09 1a9x h TRP 71 Ca -0.48 0.02 -0.09 0.00 1.08 0.00 0.00 58.89 59.43 1a9x h TRP 71 Cb 1.17 -0.28 -0.02 0.00 -3.00 0.00 0.00 29.16 27.02 1a9x h TRP 71 CO 0.54 0.40 -0.02 0.93 -1.28 0.00 0.00 178.44 179.01 1a9x h GLU 72 N 0.82 0.90 -0.32 0.12 5.08 -1.96 0.86 114.58 120.08 1a9x h GLU 72 Ca 0.40 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1a9x h GLU 72 Cb 0.44 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1a9x h GLU 72 CO -0.16 0.94 -0.17 0.28 -1.00 0.00 0.00 179.01 178.90 1a9x h VAL 73 N 0.76 1.29 -0.14 3.13 2.07 -1.18 -2.24 116.25 119.93 1a9x h VAL 73 Ca 0.14 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.33 1a9x h VAL 73 Cb 0.55 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1a9x h VAL 73 CO 0.03 0.42 -0.12 0.58 0.02 0.00 0.00 177.57 178.50 1a9x h VAL 74 N 0.44 1.17 -0.63 2.57 2.07 -0.04 -2.06 116.25 119.76 1a9x h VAL 74 Ca 0.07 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1a9x h VAL 74 Cb 0.71 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1a9x h VAL 74 CO 0.05 0.23 0.34 -0.09 0.02 0.00 0.00 177.57 178.12 1a9x h ARG 75 N 0.22 0.62 0.00 1.57 2.43 0.13 -0.31 114.38 119.04 1a9x h ARG 75 Ca 0.05 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1a9x h ARG 75 Cb 0.34 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1a9x h ARG 75 CO 0.02 0.41 -0.18 0.87 -1.51 0.00 0.00 179.97 179.58 1a9x h LYS 76 N 0.64 0.00 0.03 0.20 1.79 -0.96 -1.17 116.57 117.10 1a9x h LYS 76 Ca 0.28 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.48 1a9x h LYS 76 Cb 0.18 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1a9x h LYS 76 CO -0.18 0.18 -1.08 0.82 -1.08 0.00 0.00 179.45 178.11 1a9x h ILE 77 N 0.00 1.28 -0.04 1.86 2.04 -0.79 -1.59 117.51 120.26 1a9x h ILE 77 Ca -0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.56 1a9x h ILE 77 Cb 0.39 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1a9x h ILE 77 CO 0.02 0.71 0.03 0.40 0.00 0.00 0.00 178.15 179.31 1a9x h ILE 78 N 0.34 1.03 -0.42 -0.67 2.04 -0.80 0.52 117.51 119.56 1a9x h ILE 78 Ca -0.15 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.69 1a9x h ILE 78 Cb 1.75 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.79 1a9x h ILE 78 CO 0.21 0.03 0.13 -0.08 0.00 0.00 0.00 178.15 178.44 1a9x h GLU 79 N 0.03 0.28 -0.08 2.37 4.81 -1.27 1.51 114.58 122.23 1a9x h GLU 79 Ca 0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1a9x h GLU 79 Cb 0.02 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1a9x h GLU 79 CO -0.00 0.18 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.19 1a9x h LYS 80 N 0.29 0.18 0.00 1.92 3.64 -0.98 -3.33 116.57 118.28 1a9x h LYS 80 Ca 0.20 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1a9x h LYS 80 Cb 0.20 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1a9x h LYS 80 CO -0.22 0.57 -0.98 0.39 -2.27 0.00 0.00 179.45 176.94 1a9x n GLU 81 N -4.74 0.17 -3.53 1.90 -0.58 0.18 -5.02 120.64 109.03 1a9x n GLU 81 Ca -0.07 -0.01 -0.19 0.00 -0.42 0.00 0.00 57.16 56.47 1a9x n GLU 81 Cb 0.28 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1a9x n GLU 81 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1a9x n ARG 82 N -1.76 -1.57 -2.78 3.49 5.12 0.52 -4.93 116.66 114.74 1a9x n ARG 82 Ca 0.03 1.08 -0.35 0.00 -1.93 0.00 0.00 57.85 56.69 1a9x n ARG 82 Cb 0.39 -3.31 -0.07 0.00 -1.16 0.00 0.00 32.46 28.32 1a9x n ARG 82 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a9x s PRO 83 N -4.07 4.34 0.18 5.56 0.04 -1.26 -4.95 135.00 134.85 1a9x s PRO 83 Ca 0.05 1.22 0.09 0.00 0.04 0.00 0.00 61.00 62.41 1a9x s PRO 83 Cb -0.01 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1a9x s PRO 83 CO 0.85 0.06 1.38 -0.44 0.04 0.00 0.00 177.00 178.90 1a9x h ASP 84 N 2.38 0.00 -5.27 6.66 3.32 -1.66 -3.40 116.42 118.44 1a9x h ASP 84 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1a9x h ASP 84 Cb 1.19 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 1a9x h ASP 84 CO 0.62 0.84 -0.56 0.00 -1.72 0.00 0.00 179.24 178.43 1a9x s ALA 85 N -2.94 0.36 -0.04 3.45 0.00 -1.01 0.05 121.76 121.63 1a9x s ALA 85 Ca 0.01 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1a9x s ALA 85 Cb 0.10 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.77 1a9x s ALA 85 CO 0.79 -0.47 -0.11 0.54 0.00 0.00 0.00 175.76 176.52 1a9x s VAL 86 N -3.94 1.00 -0.39 0.00 0.11 -0.21 -0.51 120.40 116.45 1a9x s VAL 86 Ca 0.12 -0.44 -0.06 0.00 -2.93 0.00 0.00 61.98 58.66 1a9x s VAL 86 Cb 0.07 -0.90 0.08 0.00 -1.53 0.00 0.00 36.38 34.10 1a9x s VAL 86 CO -0.06 0.31 0.20 -0.22 -3.33 0.00 0.00 175.10 172.00 1a9x s LEU 87 N 0.38 4.93 -0.07 2.54 2.96 -0.41 -0.11 118.68 128.91 1a9x s LEU 87 Ca -0.08 -1.57 0.15 0.00 -0.22 0.00 0.00 54.13 52.41 1a9x s LEU 87 Cb -0.12 -1.90 0.48 0.00 0.50 0.00 0.00 46.19 45.15 1a9x s LEU 87 CO 0.02 -0.48 1.40 -0.81 -1.32 0.00 0.00 176.35 175.16 1a9x n PRO 88 N 4.79 3.08 -0.11 0.98 -0.04 -1.26 -2.24 135.00 140.21 1a9x n PRO 88 Ca -0.09 -2.49 0.12 0.00 -0.04 0.00 0.00 63.50 61.00 1a9x n PRO 88 Cb 0.43 -1.58 0.26 0.00 -0.04 0.00 0.00 33.50 32.57 1a9x n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1a9x n THR 89 N 0.45 0.28 -0.73 0.52 -2.24 -1.26 -3.61 114.28 107.69 1a9x n THR 89 Ca 0.18 -0.54 0.07 0.00 -2.27 0.00 0.00 64.05 61.49 1a9x n THR 89 Cb 0.67 0.87 0.17 0.00 -2.10 0.00 0.00 70.33 69.94 1a9x n THR 89 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1a9x n MET 90 N 1.02 2.49 -1.30 -0.78 2.81 -1.26 -1.75 117.12 118.36 1a9x n MET 90 Ca 0.17 -2.45 0.03 0.00 -1.81 0.00 0.00 57.70 53.65 1a9x n MET 90 Cb 0.51 -1.53 0.09 0.00 -0.71 0.00 0.00 33.22 31.57 1a9x n MET 90 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a9x n GLY 91 N -0.56 2.70 7.00 3.03 0.00 -1.23 -4.03 105.19 112.09 1a9x n GLY 91 Ca 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1a9x n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 92 N -0.18 -0.58 0.17 -0.02 0.00 -1.26 -1.90 105.19 101.42 1a9x n GLY 92 Ca 0.12 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 1a9x n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1a9x h GLN 93 N 0.00 0.28 -0.38 1.61 5.75 -1.95 -2.87 115.11 117.56 1a9x h GLN 93 Ca 0.00 -0.20 0.08 0.00 -0.15 0.00 0.00 58.65 58.38 1a9x h GLN 93 Cb 0.00 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.50 1a9x h GLN 93 CO 0.00 0.81 -0.16 1.15 -2.65 0.00 0.00 178.83 177.98 1a9x h THR 94 N 0.20 0.49 -0.29 2.39 2.02 -1.85 0.73 112.91 116.62 1a9x h THR 94 Ca -0.01 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.04 1a9x h THR 94 Cb 1.14 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1a9x h THR 94 CO 0.10 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 175.62 1a9x h ALA 95 N 1.21 0.83 -0.19 6.16 0.00 -1.33 -1.35 119.26 124.59 1a9x h ALA 95 Ca 0.19 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1a9x h ALA 95 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1a9x h ALA 95 CO -0.44 0.64 0.04 -0.07 0.00 0.00 0.00 179.25 179.43 1a9x h LEU 96 N 0.54 0.29 -0.26 0.00 3.38 -1.18 -1.11 115.31 116.96 1a9x h LEU 96 Ca 0.05 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1a9x h LEU 96 Cb 0.88 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1a9x h LEU 96 CO 0.08 0.45 0.05 0.78 0.09 0.00 0.00 178.44 179.88 1a9x h ASN 97 N 0.11 -0.00 -0.29 -0.43 4.21 -0.78 -2.22 115.58 116.18 1a9x h ASN 97 Ca 0.06 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 1a9x h ASN 97 Cb 0.28 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 1a9x h ASN 97 CO 0.00 0.03 0.15 0.00 -1.29 0.00 0.00 177.43 176.33 1a9x h ALA 99 N 1.02 0.84 -0.03 0.00 0.00 -0.93 -0.04 119.26 120.11 1a9x h ALA 99 Ca 0.10 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1a9x h ALA 99 Cb 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1a9x h ALA 99 CO -0.02 -0.13 -0.44 -0.07 0.00 0.00 0.00 179.25 178.59 1a9x h LEU 100 N 0.48 0.08 -0.08 0.00 4.07 -1.26 -1.65 115.31 116.96 1a9x h LEU 100 Ca 0.31 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 58.14 1a9x h LEU 100 Cb 0.35 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1a9x h LEU 100 CO -0.28 0.51 -0.33 -0.08 -1.08 0.00 0.00 178.44 177.18 1a9x h GLU 101 N 0.06 0.36 -0.89 1.13 4.57 -0.84 -0.30 114.58 118.67 1a9x h GLU 101 Ca 0.00 -0.28 0.14 0.00 -1.18 0.00 0.00 59.36 58.04 1a9x h GLU 101 Cb 0.81 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.38 1a9x h GLU 101 CO 0.06 0.92 0.57 -0.07 -1.18 0.00 0.00 179.01 179.32 1a9x h LEU 102 N -0.12 0.66 0.09 1.64 3.38 -0.86 0.85 115.31 120.95 1a9x h LEU 102 Ca -0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1a9x h LEU 102 Cb 0.98 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1a9x h LEU 102 CO 0.07 0.33 -0.05 -0.08 0.09 0.00 0.00 178.44 178.81 1a9x h GLU 103 N 0.70 -0.12 0.30 1.13 4.22 -1.18 0.23 114.58 119.86 1a9x h GLU 103 Ca 0.45 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.89 1a9x h GLU 103 Cb 0.71 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1a9x h GLU 103 CO -0.20 0.26 -0.27 -0.09 -2.18 0.00 0.00 179.01 176.52 1a9x h ARG 104 N -0.53 -0.57 0.00 1.92 2.43 -0.23 -1.42 114.38 115.98 1a9x h ARG 104 Ca -0.01 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1a9x h ARG 104 Cb 0.44 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1a9x h ARG 104 CO 0.02 -0.38 0.00 1.04 -1.51 0.00 0.00 179.97 179.14 1a9x n GLN 105 N -5.39 0.13 -0.97 0.20 1.13 0.29 -4.82 117.38 107.94 1a9x n GLN 105 Ca -0.09 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1a9x n GLN 105 Cb 0.30 -1.91 0.00 0.00 0.11 0.00 0.00 30.24 28.74 1a9x n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a9x n GLY 106 N -1.28 0.47 0.27 1.08 0.00 -0.53 -4.93 105.19 100.26 1a9x n GLY 106 Ca -0.01 -0.38 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1a9x n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a9x h VAL 107 N 0.00 1.16 -0.24 1.61 2.07 -0.75 0.47 116.25 120.57 1a9x h VAL 107 Ca 0.00 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1a9x h VAL 107 Cb 0.00 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1a9x h VAL 107 CO 0.00 0.21 -0.08 -0.07 0.02 0.00 0.00 177.57 177.65 1a9x h LEU 108 N 0.39 0.49 0.18 2.57 3.38 -1.81 -1.58 115.31 118.93 1a9x h LEU 108 Ca 0.09 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1a9x h LEU 108 Cb 0.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1a9x h LEU 108 CO 0.00 0.77 -0.23 -0.08 0.09 0.00 0.00 178.44 178.99 1a9x h GLU 109 N 0.22 -0.45 -0.78 1.13 4.57 -1.78 0.89 114.58 118.38 1a9x h GLU 109 Ca 0.06 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.41 1a9x h GLU 109 Cb 0.56 0.10 -0.14 0.00 -0.16 0.00 0.00 28.75 29.11 1a9x h GLU 109 CO 0.03 -0.30 -0.30 1.49 -1.18 0.00 0.00 179.01 178.75 1a9x h GLU 110 N -0.46 -0.06 -0.58 1.92 4.81 -0.76 -0.82 114.58 118.63 1a9x h GLU 110 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1a9x h GLU 110 Cb 0.45 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1a9x h GLU 110 CO -0.09 -0.04 0.00 1.19 -0.73 0.00 0.00 179.01 179.34 1a9x n PHE 111 N -5.48 0.90 -3.45 0.92 3.01 -0.61 -4.95 117.46 107.80 1a9x n PHE 111 Ca 0.08 -0.53 -0.20 0.00 1.01 0.00 0.00 57.45 57.81 1a9x n PHE 111 Cb 0.39 -0.06 0.08 0.00 -0.01 0.00 0.00 39.48 39.87 1a9x n PHE 111 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a9x n GLY 112 N 1.11 -0.38 3.62 1.37 0.00 0.28 -4.94 105.19 106.25 1a9x n GLY 112 Ca 0.20 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 1a9x n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 113 N -3.30 5.10 -0.08 1.61 1.01 0.30 -4.81 120.40 120.24 1a9x s VAL 113 Ca 0.38 0.79 -0.24 0.00 0.00 0.00 0.00 61.98 62.91 1a9x s VAL 113 Cb -0.17 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1a9x s VAL 113 CO 0.67 0.11 0.73 -0.89 0.00 0.00 0.00 175.10 175.72 1a9x s THR 114 N 2.18 5.02 -0.17 3.92 2.01 0.11 -4.70 115.64 124.00 1a9x s THR 114 Ca 0.20 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.40 1a9x s THR 114 Cb -0.16 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 1a9x s THR 114 CO 0.09 0.22 1.13 -0.32 -0.69 0.00 0.00 174.62 175.05 1a9x s MET 115 N 0.99 4.28 0.33 4.92 1.75 -1.26 -1.05 119.30 129.26 1a9x s MET 115 Ca 0.38 1.50 0.08 0.00 -1.25 0.00 0.00 55.69 56.40 1a9x s MET 115 Cb -0.18 -3.66 -0.04 0.00 2.84 0.00 0.00 34.83 33.79 1a9x s MET 115 CO 0.18 -0.60 0.14 0.96 -0.65 0.00 0.00 175.02 175.05 1a9x s ILE 116 N 3.04 3.10 0.00 10.11 -4.36 0.85 -4.72 121.20 129.22 1a9x s ILE 116 Ca 0.49 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 1a9x s ILE 116 Cb -0.19 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.54 1a9x s ILE 116 CO 0.12 -0.20 0.00 0.61 0.24 0.00 0.00 174.94 175.71 1a9x n GLY 117 N -1.14 2.02 2.95 6.27 0.00 -1.26 -4.31 105.19 109.71 1a9x n GLY 117 Ca -0.03 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1a9x n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 118 N 0.00 0.38 0.64 4.61 0.00 -1.26 -3.46 121.76 122.66 1a9x s ALA 118 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 1a9x s ALA 118 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1a9x s ALA 118 CO 0.00 0.09 0.99 0.95 0.00 0.00 0.00 175.76 177.79 1a9x s THR 119 N -0.14 3.72 0.15 0.00 -4.23 -1.26 -4.91 115.64 108.97 1a9x s THR 119 Ca 0.01 0.28 -0.13 0.00 -1.18 0.00 0.00 61.69 60.67 1a9x s THR 119 Cb -0.02 -3.51 0.03 0.00 1.34 0.00 0.00 72.50 70.34 1a9x s THR 119 CO -0.00 -0.60 1.67 0.00 -0.54 0.00 0.00 174.62 175.15 1a9x h ALA 120 N -0.37 0.66 -0.79 3.99 0.00 -1.98 -1.58 119.26 119.19 1a9x h ALA 120 Ca -0.45 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 1a9x h ALA 120 Cb 1.25 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1a9x h ALA 120 CO 0.62 0.32 0.34 0.22 0.00 0.00 0.00 179.25 180.76 1a9x h ASP 121 N 0.69 1.06 -0.16 0.00 3.58 -1.98 -2.10 116.42 117.51 1a9x h ASP 121 Ca 0.16 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1a9x h ASP 121 Cb 0.28 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1a9x h ASP 121 CO -0.00 0.91 0.07 0.00 -2.88 0.00 0.00 179.24 177.34 1a9x h ALA 122 N 1.24 0.20 -0.78 -0.78 0.00 -1.71 0.28 119.26 117.71 1a9x h ALA 122 Ca 0.27 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1a9x h ALA 122 Cb 0.17 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1a9x h ALA 122 CO -0.03 -0.22 0.42 0.82 0.00 0.00 0.00 179.25 180.24 1a9x h ILE 123 N 0.12 0.87 -0.45 0.00 2.04 -1.05 -1.57 117.51 117.47 1a9x h ILE 123 Ca 0.05 -0.24 -0.12 0.00 1.00 0.00 0.00 64.86 65.55 1a9x h ILE 123 Cb 0.14 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1a9x h ILE 123 CO -0.01 0.13 -0.20 -0.78 0.00 0.00 0.00 178.15 177.29 1a9x h ASP 124 N 0.70 0.91 -0.74 1.72 3.58 -1.02 0.31 116.42 121.89 1a9x h ASP 124 Ca 0.38 -0.33 0.07 0.00 0.42 0.00 0.00 57.03 57.57 1a9x h ASP 124 Cb 0.39 -0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.13 1a9x h ASP 124 CO -0.26 1.09 0.42 0.50 -2.88 0.00 0.00 179.24 178.10 1a9x h LYS 125 N 0.78 0.73 0.13 0.28 3.64 0.01 0.99 116.57 123.13 1a9x h LYS 125 Ca 0.11 -0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.17 1a9x h LYS 125 Cb 0.75 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1a9x h LYS 125 CO 0.06 0.48 -1.23 0.00 -2.27 0.00 0.00 179.45 176.49 1a9x h ALA 126 N 1.39 0.09 0.04 5.00 0.00 -1.16 -2.38 119.26 122.25 1a9x h ALA 126 Ca 0.34 -0.85 -0.23 0.00 0.00 0.00 0.00 54.91 54.17 1a9x h ALA 126 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1a9x h ALA 126 CO -0.20 0.89 -1.03 0.93 0.00 0.00 0.00 179.25 179.84 1a9x h GLU 127 N 0.12 0.20 -6.12 0.00 4.39 0.14 -3.42 114.58 109.89 1a9x h GLU 127 Ca -0.15 -0.27 -0.59 0.00 0.34 0.00 0.00 59.36 58.69 1a9x h GLU 127 Cb 1.94 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 30.59 1a9x h GLU 127 CO 0.21 1.06 0.63 0.34 -1.16 0.00 0.00 179.01 180.10 1a9x s ASP 128 N -6.97 6.70 0.28 1.42 -1.08 0.34 -1.71 116.67 115.64 1a9x s ASP 128 Ca -0.03 0.62 -0.00 0.00 -0.52 0.00 0.00 52.55 52.62 1a9x s ASP 128 Cb 0.09 -2.47 0.50 0.00 -1.46 0.00 0.00 42.92 39.57 1a9x s ASP 128 CO 0.85 -0.87 1.85 0.03 0.52 0.00 0.00 175.17 177.55 1a9x h ARG 129 N 8.47 1.03 -0.36 4.34 2.47 -1.85 -0.51 114.38 127.97 1a9x h ARG 129 Ca -0.23 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.37 1a9x h ARG 129 Cb 1.08 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 29.15 1a9x h ARG 129 CO 0.99 0.68 -0.02 -0.09 0.56 0.00 0.00 179.97 182.09 1a9x h ARG 130 N 1.06 0.64 -0.43 0.04 2.43 -1.92 -2.56 114.38 113.65 1a9x h ARG 130 Ca 0.47 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1a9x h ARG 130 Cb 0.37 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1a9x h ARG 130 CO -0.23 0.76 0.27 0.00 -1.51 0.00 0.00 179.97 179.26 1a9x h ARG 131 N 0.45 0.53 -0.52 0.20 3.08 -1.64 -2.04 114.38 114.45 1a9x h ARG 131 Ca 0.10 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.20 1a9x h ARG 131 Cb 0.49 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 1a9x h ARG 131 CO 0.02 0.35 0.15 0.35 -1.07 0.00 0.00 179.97 179.77 1a9x h PHE 132 N 0.55 0.26 -0.65 3.04 3.57 -0.56 -1.31 116.94 121.84 1a9x h PHE 132 Ca 0.16 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1a9x h PHE 132 Cb -0.03 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1a9x h PHE 132 CO -0.06 0.05 0.24 0.22 -2.23 0.00 0.00 178.31 176.53 1a9x h ASP 133 N 0.31 0.92 -0.56 0.41 1.82 -1.22 -1.92 116.42 116.18 1a9x h ASP 133 Ca 0.26 -0.19 -0.11 0.00 -0.39 0.00 0.00 57.03 56.60 1a9x h ASP 133 Cb 0.31 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 1a9x h ASP 133 CO -0.29 0.86 -0.08 0.58 -1.61 0.00 0.00 179.24 178.70 1a9x h VAL 134 N 0.93 1.27 -0.87 2.25 2.07 -1.02 -2.50 116.25 118.38 1a9x h VAL 134 Ca 0.21 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1a9x h VAL 134 Cb 0.24 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1a9x h VAL 134 CO -0.01 0.44 0.45 0.00 0.02 0.00 0.00 177.57 178.47 1a9x h ALA 135 N 0.94 1.16 -0.62 1.67 0.00 -0.77 -0.41 119.26 121.23 1a9x h ALA 135 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1a9x h ALA 135 Cb 0.64 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1a9x h ALA 135 CO 0.04 0.66 0.25 0.52 0.00 0.00 0.00 179.25 180.72 1a9x h MET 136 N 1.22 0.92 -0.75 0.00 2.86 -0.94 -0.94 114.93 117.31 1a9x h MET 136 Ca 0.30 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1a9x h MET 136 Cb 0.07 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1a9x h MET 136 CO -0.04 0.78 0.42 -0.22 1.06 0.00 0.00 176.91 178.91 1a9x h LYS 137 N 0.86 1.04 -0.36 1.72 3.64 -1.29 0.65 116.57 122.83 1a9x h LYS 137 Ca 0.21 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1a9x h LYS 137 Cb 0.21 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1a9x h LYS 137 CO -0.02 0.76 0.24 -0.22 -2.27 0.00 0.00 179.45 177.94 1a9x h LYS 138 N 1.03 0.27 -0.63 1.90 3.64 0.21 -0.58 116.57 122.40 1a9x h LYS 138 Ca 0.27 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1a9x h LYS 138 Cb 0.01 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1a9x h LYS 138 CO -0.04 0.18 0.00 0.44 -2.27 0.00 0.00 179.45 177.75 1a9x n ILE 139 N -4.48 1.83 -2.69 2.00 -5.35 -0.30 -4.96 119.36 105.41 1a9x n ILE 139 Ca 0.04 -1.22 -0.16 0.00 -0.27 0.00 0.00 62.75 61.14 1a9x n ILE 139 Cb 0.22 0.13 0.02 0.00 -1.74 0.00 0.00 39.64 38.27 1a9x n ILE 139 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a9x n GLY 140 N 1.07 -0.23 3.74 3.28 0.00 -0.12 -5.02 105.19 107.91 1a9x n GLY 140 Ca 0.25 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1a9x n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 141 N -4.96 3.71 -0.09 0.99 1.43 0.03 -5.00 118.68 114.78 1a9x s LEU 141 Ca 0.17 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1a9x s LEU 141 Cb -0.07 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1a9x s LEU 141 CO 0.21 0.21 0.14 -0.70 0.23 0.00 0.00 176.35 176.44 1a9x s GLU 142 N -2.11 3.39 0.23 1.70 2.12 -1.26 -3.93 118.70 118.86 1a9x s GLU 142 Ca 0.26 -0.20 0.06 0.00 0.36 0.00 0.00 54.97 55.45 1a9x s GLU 142 Cb -0.12 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 1a9x s GLU 142 CO 0.18 0.75 -0.08 0.95 -0.54 0.00 0.00 175.26 176.52 1a9x s THR 143 N -1.08 1.52 0.57 -1.70 -4.23 -1.26 0.81 115.64 110.26 1a9x s THR 143 Ca 0.18 -2.13 -0.20 0.00 -1.18 0.00 0.00 61.69 58.36 1a9x s THR 143 Cb -0.12 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1a9x s THR 143 CO 0.07 -0.44 1.25 0.00 -0.54 0.00 0.00 174.62 174.96 1a9x s ALA 144 N -3.10 2.65 0.21 3.99 0.00 -1.26 -4.92 121.76 119.32 1a9x s ALA 144 Ca 0.26 1.11 -0.32 0.00 0.00 0.00 0.00 51.96 53.01 1a9x s ALA 144 Cb 0.03 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 1a9x s ALA 144 CO 0.09 -1.21 1.67 0.50 0.00 0.00 0.00 175.76 176.81 1a9x s ARG 145 N -3.14 4.15 0.19 0.00 3.52 -1.26 -4.81 118.95 117.59 1a9x s ARG 145 Ca 0.75 2.54 -0.04 0.00 -0.13 0.00 0.00 55.73 58.85 1a9x s ARG 145 Cb -0.34 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1a9x s ARG 145 CO 0.38 -0.70 0.32 -1.13 -0.81 0.00 0.00 175.30 173.36 1a9x n SER 146 N 3.77 -0.92 -3.63 -2.12 3.41 -1.26 -0.57 113.62 112.30 1a9x n SER 146 Ca 0.14 -1.86 -0.15 0.00 -0.26 0.00 0.00 58.87 56.74 1a9x n SER 146 Cb 0.36 1.60 -0.07 0.00 -0.26 0.00 0.00 64.21 65.84 1a9x n SER 146 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a9x s GLY 147 N -2.05 -0.45 0.18 5.00 0.00 0.22 -4.97 107.32 105.24 1a9x s GLY 147 Ca 0.11 1.39 -0.10 0.00 0.00 0.00 0.00 44.72 46.12 1a9x s GLY 147 CO 0.08 1.12 0.52 -0.42 0.00 0.00 0.00 173.10 174.40 1a9x s ILE 148 N -0.40 4.95 -0.00 0.90 -1.09 -1.26 -0.43 121.20 123.87 1a9x s ILE 148 Ca -0.05 0.52 -0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1a9x s ILE 148 Cb -0.03 -3.65 -0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1a9x s ILE 148 CO 0.04 0.06 0.01 0.00 -1.23 0.00 0.00 174.94 173.82 1a9x s ALA 149 N -1.67 -0.02 0.00 9.38 0.00 0.95 -4.81 121.76 125.59 1a9x s ALA 149 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1a9x s ALA 149 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1a9x s ALA 149 CO 0.21 -0.02 0.34 0.72 0.00 0.00 0.00 175.76 177.01 1a9x n HIS 150 N 2.97 0.00 -3.79 0.00 8.25 -1.26 -1.36 115.22 120.03 1a9x n HIS 150 Ca -0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 1a9x n HIS 150 Cb 0.60 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.66 1a9x n HIS 150 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1a9x s THR 151 N -0.27 0.05 0.38 1.59 -4.23 -1.26 -4.88 115.64 107.02 1a9x s THR 151 Ca 0.00 -0.95 0.10 0.00 -1.18 0.00 0.00 61.69 59.66 1a9x s THR 151 Cb 0.00 -1.58 0.33 0.00 1.34 0.00 0.00 72.50 72.58 1a9x s THR 151 CO 0.00 -0.23 1.90 -0.03 -0.54 0.00 0.00 174.62 175.72 1a9x h MET 152 N 2.35 0.61 -0.19 3.99 4.05 -1.96 0.20 114.93 123.99 1a9x h MET 152 Ca -0.31 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.02 1a9x h MET 152 Cb 1.25 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.91 1a9x h MET 152 CO 0.43 0.40 -0.12 1.49 0.23 0.00 0.00 176.91 179.35 1a9x h GLU 153 N 0.63 0.42 -0.57 0.39 4.81 -1.99 0.14 114.58 118.40 1a9x h GLU 153 Ca 0.39 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1a9x h GLU 153 Cb 0.65 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1a9x h GLU 153 CO -0.16 0.73 0.20 0.93 -0.73 0.00 0.00 179.01 179.99 1a9x h GLU 154 N 0.10 0.87 -0.28 1.92 5.08 -1.77 -2.31 114.58 118.19 1a9x h GLU 154 Ca 0.04 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1a9x h GLU 154 Cb 0.62 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1a9x h GLU 154 CO 0.03 0.77 0.02 0.00 -1.00 0.00 0.00 179.01 178.83 1a9x h ALA 155 N 1.06 0.26 -0.72 3.43 0.00 -0.33 -1.93 119.26 121.03 1a9x h ALA 155 Ca 0.19 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1a9x h ALA 155 Cb 0.24 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1a9x h ALA 155 CO -0.01 -0.40 0.44 -0.07 0.00 0.00 0.00 179.25 179.21 1a9x h LEU 156 N 0.10 0.70 -1.77 0.00 3.38 -0.41 -1.30 115.31 116.01 1a9x h LEU 156 Ca 0.13 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1a9x h LEU 156 Cb 0.17 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1a9x h LEU 156 CO -0.21 0.46 -0.13 0.00 0.09 0.00 0.00 178.44 178.65 1a9x h ALA 157 N 1.34 1.73 -0.14 1.53 0.00 -0.92 0.34 119.26 123.13 1a9x h ALA 157 Ca 0.31 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1a9x h ALA 157 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1a9x h ALA 157 CO -0.14 0.16 -0.21 0.28 0.00 0.00 0.00 179.25 179.34 1a9x h VAL 158 N 0.00 1.36 -0.96 0.00 2.07 -0.50 -2.62 116.25 115.60 1a9x h VAL 158 Ca -0.00 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.11 1a9x h VAL 158 Cb 0.24 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1a9x h VAL 158 CO 0.02 0.42 0.63 0.00 0.02 0.00 0.00 177.57 178.66 1a9x h ALA 159 N 0.57 1.25 -0.21 1.67 0.00 -0.71 0.63 119.26 122.47 1a9x h ALA 159 Ca 0.01 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1a9x h ALA 159 Cb 0.78 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1a9x h ALA 159 CO 0.05 0.54 0.19 0.00 0.00 0.00 0.00 179.25 180.03 1a9x h ALA 160 N 1.38 1.94 0.03 0.00 0.00 -0.22 0.10 119.26 122.50 1a9x h ALA 160 Ca 0.37 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.92 1a9x h ALA 160 Cb -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1a9x h ALA 160 CO -0.11 -0.30 -2.13 -3.47 0.00 0.00 0.00 179.25 173.25 1a9x n ASP 161 N -4.02 1.24 -0.01 0.00 2.03 0.18 -4.52 116.55 111.46 1a9x n ASP 161 Ca 0.02 0.13 -0.03 0.00 0.52 0.00 0.00 54.79 55.43 1a9x n ASP 161 Cb 0.33 -0.09 -0.12 0.00 -0.72 0.00 0.00 41.12 40.52 1a9x n ASP 161 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1a9x n VAL 162 N -3.14 1.24 -0.25 5.18 0.24 0.89 -5.09 118.33 117.41 1a9x n VAL 162 Ca -0.31 -0.73 0.03 0.00 -2.04 0.00 0.00 64.34 61.28 1a9x n VAL 162 Cb 1.06 -0.71 -0.01 0.00 -1.47 0.00 0.00 33.84 32.71 1a9x n VAL 162 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 163 N 1.49 -2.24 3.84 7.63 0.00 0.34 -4.82 105.19 111.43 1a9x n GLY 163 Ca -0.15 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 1a9x n GLY 163 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 164 N -2.48 3.66 0.41 1.61 0.08 -1.26 -3.47 117.98 116.53 1a9x s PHE 164 Ca 0.00 1.11 -0.08 0.00 0.12 0.00 0.00 56.93 58.07 1a9x s PHE 164 Cb 0.00 -2.39 -0.05 0.00 -0.57 0.00 0.00 43.02 40.00 1a9x s PHE 164 CO 0.00 0.48 0.74 -1.25 -0.10 0.00 0.00 175.22 175.10 1a9x s PRO 165 N -1.70 3.69 0.23 0.24 0.04 -1.26 -5.02 135.00 131.23 1a9x s PRO 165 Ca 0.35 0.33 0.09 0.00 0.04 0.00 0.00 61.00 61.81 1a9x s PRO 165 Cb -0.16 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 1a9x s PRO 165 CO 0.19 -0.05 -0.17 0.00 0.04 0.00 0.00 177.00 177.01 1a9x s ILE 167 N -2.74 4.06 -0.24 0.00 1.09 0.41 -2.02 121.20 121.77 1a9x s ILE 167 Ca 0.25 -0.28 -0.08 0.00 -1.10 0.00 0.00 60.65 59.44 1a9x s ILE 167 Cb -0.03 -2.83 -0.03 0.00 -1.06 0.00 0.00 42.46 38.51 1a9x s ILE 167 CO 0.10 0.44 0.08 -0.63 -0.10 0.00 0.00 174.94 174.83 1a9x s ILE 168 N 0.80 4.47 -0.24 2.92 1.09 -0.62 -1.05 121.20 128.57 1a9x s ILE 168 Ca 0.01 -0.12 -0.00 0.00 -1.10 0.00 0.00 60.65 59.43 1a9x s ILE 168 Cb -0.14 -3.09 0.07 0.00 -1.06 0.00 0.00 42.46 38.24 1a9x s ILE 168 CO 0.02 0.34 -0.01 -0.13 -0.10 0.00 0.00 174.94 175.06 1a9x s ARG 169 N 1.47 1.28 0.55 2.79 0.52 0.72 -2.52 118.95 123.77 1a9x s ARG 169 Ca 0.06 -0.91 -0.19 0.00 -0.52 0.00 0.00 55.73 54.17 1a9x s ARG 169 Cb -0.15 -2.44 -0.06 0.00 0.52 0.00 0.00 34.95 32.82 1a9x s ARG 169 CO 0.04 -0.67 1.13 -2.14 0.02 0.00 0.00 175.30 173.69 1a9x s PRO 170 N 1.50 3.31 0.38 3.54 0.02 -1.26 -0.17 135.00 142.33 1a9x s PRO 170 Ca -0.02 1.62 -0.23 0.00 0.02 0.00 0.00 61.00 62.39 1a9x s PRO 170 Cb -0.18 -2.00 -0.10 0.00 0.02 0.00 0.00 34.50 32.24 1a9x s PRO 170 CO -0.09 -0.88 0.96 -1.12 -0.33 0.00 0.00 177.00 175.54 1a9x s SER 171 N -1.78 7.08 -1.19 2.53 0.01 0.35 -3.94 113.70 116.75 1a9x s SER 171 Ca 0.73 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.78 1a9x s SER 171 Cb -0.24 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1a9x s SER 171 CO 0.28 -0.26 0.00 0.49 0.41 0.00 0.00 173.24 174.16 1a9x n PHE 172 N -0.09 -0.05 -4.39 2.43 3.72 -0.69 -4.05 117.46 114.34 1a9x n PHE 172 Ca 0.05 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.25 1a9x n PHE 172 Cb 0.52 -2.17 -0.10 0.00 -0.94 0.00 0.00 39.48 36.78 1a9x n PHE 172 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1a9x s THR 173 N -2.44 1.43 0.30 4.37 -4.23 -1.25 -4.52 115.64 109.30 1a9x s THR 173 Ca 0.00 -2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 58.40 1a9x s THR 173 Cb 0.00 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 1a9x s THR 173 CO 0.00 -0.33 0.36 0.00 -0.54 0.00 0.00 174.62 174.11 1a9x s MET 174 N -3.77 1.67 -2.06 3.99 0.23 -1.26 -4.90 119.30 113.20 1a9x s MET 174 Ca 0.29 -1.72 0.00 0.00 -1.03 0.00 0.00 55.69 53.23 1a9x s MET 174 Cb 0.04 0.38 0.00 0.00 -1.53 0.00 0.00 34.83 33.73 1a9x s MET 174 CO 0.10 -0.65 0.00 0.41 -2.03 0.00 0.00 175.02 172.85 1a9x n GLY 175 N -0.49 1.02 2.98 3.16 0.00 -1.26 -1.06 105.19 109.55 1a9x n GLY 175 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1a9x n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 176 N -0.64 0.38 3.66 -0.02 0.00 -1.26 -1.49 105.19 105.83 1a9x n GLY 176 Ca -0.23 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.30 1a9x n GLY 176 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a9x n SER 177 N -0.25 2.78 0.00 1.61 7.64 -0.22 -1.13 113.62 124.04 1a9x n SER 177 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1a9x n SER 177 Cb 0.13 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 1a9x n SER 177 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a9x n GLY 178 N 3.65 0.53 0.96 0.23 0.00 -1.26 -4.65 105.19 104.65 1a9x n GLY 178 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1a9x n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 179 N -2.04 3.69 0.00 -0.02 0.00 -0.29 -2.96 105.19 103.57 1a9x n GLY 179 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1a9x n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 180 N 3.38 -1.53 3.22 -0.02 0.00 -1.05 -4.53 105.19 104.65 1a9x n GLY 180 Ca -0.04 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 1a9x n GLY 180 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 181 N -2.78 2.38 -0.31 -0.61 1.01 -1.26 -1.58 121.20 118.04 1a9x s ILE 181 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 1a9x s ILE 181 Cb 0.00 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1a9x s ILE 181 CO 0.00 0.53 0.30 0.00 0.00 0.00 0.00 174.94 175.77 1a9x s ALA 182 N 0.82 3.52 -0.31 9.38 0.00 -0.86 -4.94 121.76 129.37 1a9x s ALA 182 Ca -0.06 -1.13 0.22 0.00 0.00 0.00 0.00 51.96 50.99 1a9x s ALA 182 Cb -0.15 -2.68 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 1a9x s ALA 182 CO -0.01 -0.84 0.88 0.66 0.00 0.00 0.00 175.76 176.46 1a9x n TYR 183 N 5.24 0.47 -4.04 0.00 4.01 -1.26 -1.67 117.16 119.90 1a9x n TYR 183 Ca -0.11 0.14 -0.11 0.00 -0.16 0.00 0.00 57.90 57.65 1a9x n TYR 183 Cb 0.50 -0.65 -0.05 0.00 -0.31 0.00 0.00 39.34 38.83 1a9x n TYR 183 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a9x s ASN 184 N -4.64 0.30 0.18 7.72 2.20 -1.26 -4.71 114.94 114.73 1a9x s ASN 184 Ca -0.01 -1.19 -0.12 0.00 -0.94 0.00 0.00 52.86 50.61 1a9x s ASN 184 Cb 0.12 0.62 0.08 0.00 -2.00 0.00 0.00 41.25 40.07 1a9x s ASN 184 CO 0.83 -1.21 1.74 -0.09 -2.94 0.00 0.00 177.10 175.42 1a9x h ARG 185 N 2.21 0.92 -0.10 3.55 2.43 -1.97 0.36 114.38 121.78 1a9x h ARG 185 Ca -0.28 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 58.76 1a9x h ARG 185 Cb 1.25 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1a9x h ARG 185 CO 0.38 0.77 -0.10 1.49 -1.51 0.00 0.00 179.97 181.01 1a9x h GLU 186 N 0.85 -0.12 -0.48 0.20 4.81 -2.00 0.12 114.58 117.97 1a9x h GLU 186 Ca 0.21 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1a9x h GLU 186 Cb 0.20 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1a9x h GLU 186 CO -0.02 -0.08 0.02 0.93 -0.73 0.00 0.00 179.01 179.14 1a9x h GLU 187 N -0.12 0.78 -0.49 1.92 5.08 -1.96 -2.26 114.58 117.54 1a9x h GLU 187 Ca 0.07 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1a9x h GLU 187 Cb 0.23 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1a9x h GLU 187 CO -0.17 0.78 0.22 0.35 -1.00 0.00 0.00 179.01 179.18 1a9x h PHE 188 N 0.74 0.40 -0.60 4.33 3.57 0.10 -0.10 116.94 125.37 1a9x h PHE 188 Ca 0.15 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 1a9x h PHE 188 Cb 0.42 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1a9x h PHE 188 CO 0.02 0.17 0.00 0.93 -2.23 0.00 0.00 178.31 177.21 1a9x h GLU 189 N 0.43 1.05 0.59 1.11 5.08 -0.57 0.12 114.58 122.39 1a9x h GLU 189 Ca 0.22 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1a9x h GLU 189 Cb 0.17 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1a9x h GLU 189 CO -0.18 1.03 -0.38 1.49 -1.00 0.00 0.00 179.01 179.96 1a9x h GLU 190 N 0.95 -0.89 -0.43 2.33 4.81 -0.95 0.56 114.58 120.96 1a9x h GLU 190 Ca 0.17 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1a9x h GLU 190 Cb 0.55 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1a9x h GLU 190 CO 0.03 -0.60 0.25 0.82 -0.73 0.00 0.00 179.01 178.78 1a9x h ILE 191 N -0.93 1.15 -0.34 2.32 2.04 -0.97 -1.55 117.51 119.23 1a9x h ILE 191 Ca -0.07 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1a9x h ILE 191 Cb 0.76 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1a9x h ILE 191 CO 0.06 0.15 0.13 0.00 0.00 0.00 0.00 178.15 178.48 1a9x h ALA 193 N 1.21 0.72 -0.32 0.00 0.00 -0.77 -2.15 119.26 117.95 1a9x h ALA 193 Ca 0.15 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1a9x h ALA 193 Cb 0.12 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1a9x h ALA 193 CO -0.15 0.42 -0.04 -0.09 0.00 0.00 0.00 179.25 179.39 1a9x h ARG 194 N 0.77 0.04 0.04 0.00 2.43 -0.86 -2.31 114.38 114.48 1a9x h ARG 194 Ca 0.17 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.11 1a9x h ARG 194 Cb 0.35 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1a9x h ARG 194 CO 0.00 0.03 -1.05 0.78 -1.51 0.00 0.00 179.97 178.22 1a9x h GLY 195 N 0.04 0.15 1.02 2.80 0.00 -1.30 0.27 103.07 106.05 1a9x h GLY 195 Ca 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1a9x h GLY 195 CO -0.30 0.30 0.46 1.41 0.00 0.00 0.00 176.54 178.41 1a9x h LEU 196 N 0.05 1.04 -0.34 3.11 3.38 -1.39 1.32 115.31 122.47 1a9x h LEU 196 Ca -0.06 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1a9x h LEU 196 Cb 1.77 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1a9x h LEU 196 CO 0.15 0.84 0.07 -0.78 0.09 0.00 0.00 178.44 178.81 1a9x h ASP 197 N 1.16 0.53 1.60 -0.43 3.58 -1.30 -3.14 116.42 118.42 1a9x h ASP 197 Ca 0.29 -0.25 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1a9x h ASP 197 Cb 0.02 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1a9x h ASP 197 CO -0.05 0.64 -0.40 0.25 -2.88 0.00 0.00 179.24 176.80 1a9x h LEU 198 N 0.40 0.00 -9.48 2.28 5.85 -0.31 -3.45 115.31 110.60 1a9x h LEU 198 Ca 0.10 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.30 1a9x h LEU 198 Cb 0.33 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.40 1a9x h LEU 198 CO 0.00 0.38 1.13 -0.55 -0.34 0.00 0.00 178.44 179.07 1a9x s SER 199 N -6.38 6.43 0.53 1.25 0.15 0.45 -4.85 113.70 111.27 1a9x s SER 199 Ca 0.05 2.74 0.20 0.00 0.70 0.00 0.00 55.95 59.64 1a9x s SER 199 Cb 0.07 -2.56 1.33 0.00 -1.71 0.00 0.00 66.02 63.15 1a9x s SER 199 CO 0.73 -1.01 2.08 -0.65 1.20 0.00 0.00 173.24 175.59 1a9x h PRO 200 N 8.94 0.00 -0.56 5.44 0.11 -1.80 -2.17 132.00 141.96 1a9x h PRO 200 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1a9x h PRO 200 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1a9x h PRO 200 CO 0.95 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.99 1a9x n THR 201 N -4.45 1.57 -3.95 -1.15 -2.24 -1.26 -4.97 114.28 97.82 1a9x n THR 201 Ca 0.03 -1.20 -0.30 0.00 -2.27 0.00 0.00 64.05 60.31 1a9x n THR 201 Cb 0.32 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 1a9x n THR 201 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a9x n LYS 202 N 0.92 -2.13 -3.80 -0.78 4.81 -0.82 -4.96 118.16 111.41 1a9x n LYS 202 Ca 0.22 0.33 -0.13 0.00 -0.87 0.00 0.00 58.31 57.87 1a9x n LYS 202 Cb 0.75 -4.06 -0.14 0.00 0.02 0.00 0.00 35.03 31.61 1a9x n LYS 202 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1a9x s GLU 203 N -6.64 0.11 0.06 1.64 2.12 -1.26 -4.53 118.70 110.20 1a9x s GLU 203 Ca 0.17 0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.81 1a9x s GLU 203 Cb -0.07 -0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.25 1a9x s GLU 203 CO 0.91 -0.08 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.84 1a9x s LEU 204 N 0.51 2.21 -0.17 2.70 1.43 -0.46 -0.50 118.68 124.39 1a9x s LEU 204 Ca -0.04 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1a9x s LEU 204 Cb -0.05 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 1a9x s LEU 204 CO -0.02 0.11 -0.10 -0.22 0.23 0.00 0.00 176.35 176.34 1a9x s LEU 205 N -1.39 2.71 -0.23 1.79 2.96 0.76 -0.04 118.68 125.25 1a9x s LEU 205 Ca 0.06 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1a9x s LEU 205 Cb -0.09 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1a9x s LEU 205 CO 0.02 0.06 0.00 -0.63 -1.32 0.00 0.00 176.35 174.49 1a9x s ILE 206 N 0.95 3.76 0.21 6.68 1.01 0.43 -0.20 121.20 134.04 1a9x s ILE 206 Ca -0.02 -0.36 0.11 0.00 0.00 0.00 0.00 60.65 60.39 1a9x s ILE 206 Cb -0.15 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1a9x s ILE 206 CO -0.01 0.39 -0.22 -1.81 0.00 0.00 0.00 174.94 173.29 1a9x s ASP 207 N 1.53 3.55 0.67 3.58 1.11 -0.22 -0.61 116.67 126.29 1a9x s ASP 207 Ca 0.06 -0.87 -0.12 0.00 0.18 0.00 0.00 52.55 51.80 1a9x s ASP 207 Cb -0.15 -0.31 -0.00 0.00 1.07 0.00 0.00 42.92 43.53 1a9x s ASP 207 CO -0.00 0.10 1.06 -1.83 1.18 0.00 0.00 175.17 175.68 1a9x s GLU 208 N -2.84 3.04 0.28 8.23 -1.05 0.26 -0.44 118.70 126.17 1a9x s GLU 208 Ca 0.23 1.03 -0.29 0.00 -0.15 0.00 0.00 54.97 55.79 1a9x s GLU 208 Cb -0.07 -2.00 -0.10 0.00 -0.44 0.00 0.00 34.13 31.51 1a9x s GLU 208 CO 0.11 -1.02 1.37 0.45 0.95 0.00 0.00 175.26 177.12 1a9x s SER 209 N -3.48 6.72 -0.05 0.83 0.15 -1.15 -4.65 113.70 112.07 1a9x s SER 209 Ca 0.60 2.65 0.07 0.00 0.70 0.00 0.00 55.95 59.97 1a9x s SER 209 Cb -0.15 -2.63 0.11 0.00 -1.71 0.00 0.00 66.02 61.64 1a9x s SER 209 CO 0.49 -0.62 1.02 0.18 1.20 0.00 0.00 173.24 175.51 1a9x n LEU 210 N 1.73 1.05 -4.62 3.45 4.77 -1.26 -5.08 117.00 117.04 1a9x n LEU 210 Ca 0.04 -1.79 -0.49 0.00 -0.03 0.00 0.00 56.01 53.74 1a9x n LEU 210 Cb 0.41 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1a9x n LEU 210 CO 0.60 0.42 0.97 -0.38 -1.33 0.00 0.00 177.39 177.67 1a9x n ILE 211 N -0.59 0.21 0.00 -0.08 5.41 -1.26 -1.84 119.36 121.21 1a9x n ILE 211 Ca 0.06 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1a9x n ILE 211 Cb 0.63 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.46 1a9x n ILE 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a9x n GLY 212 N 2.68 3.14 3.57 7.39 0.00 -0.61 -4.96 105.19 116.40 1a9x n GLY 212 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1a9x n GLY 212 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1a9x s TRP 213 N -2.82 1.63 0.45 1.61 0.52 -0.77 -4.66 118.94 114.92 1a9x s TRP 213 Ca 0.00 1.24 -0.20 0.00 0.02 0.00 0.00 56.10 57.16 1a9x s TRP 213 Cb 0.00 -3.17 -0.10 0.00 -1.15 0.00 0.00 33.47 29.05 1a9x s TRP 213 CO 0.00 -3.39 0.96 0.15 0.02 0.00 0.00 176.95 174.69 1a9x s LYS 214 N -4.63 4.13 -0.11 4.98 1.02 0.11 -1.93 119.74 123.30 1a9x s LYS 214 Ca 0.67 1.09 0.02 0.00 0.02 0.00 0.00 55.97 57.77 1a9x s LYS 214 Cb -0.23 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1a9x s LYS 214 CO 0.62 -0.11 -0.18 -2.00 -0.92 0.00 0.00 175.35 172.75 1a9x s GLU 215 N -3.41 3.22 0.16 1.68 2.12 -1.26 -1.01 118.70 120.20 1a9x s GLU 215 Ca 0.61 -0.77 0.05 0.00 0.36 0.00 0.00 54.97 55.23 1a9x s GLU 215 Cb -0.10 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 1a9x s GLU 215 CO 0.18 0.21 -0.12 0.71 -0.54 0.00 0.00 175.26 175.70 1a9x s TYR 216 N 0.32 1.38 -0.02 5.30 1.51 -0.66 -0.48 117.35 124.70 1a9x s TYR 216 Ca -0.14 -0.69 -0.06 0.00 -1.01 0.00 0.00 57.07 55.16 1a9x s TYR 216 Cb -0.17 -0.68 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 1a9x s TYR 216 CO 0.07 0.15 0.14 -1.21 -1.11 0.00 0.00 175.55 173.59 1a9x s GLU 217 N -3.60 0.38 -0.03 -0.62 2.02 -0.69 -0.41 118.70 115.75 1a9x s GLU 217 Ca 0.17 -0.20 0.05 0.00 0.02 0.00 0.00 54.97 55.01 1a9x s GLU 217 Cb 0.01 0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.39 1a9x s GLU 217 CO 0.02 -0.08 -0.17 -1.64 0.02 0.00 0.00 175.26 173.41 1a9x s MET 218 N -0.90 1.63 -0.28 1.61 -1.94 -0.28 -0.61 119.30 118.54 1a9x s MET 218 Ca -0.10 -0.61 -0.09 0.00 -1.71 0.00 0.00 55.69 53.18 1a9x s MET 218 Cb -0.06 -1.47 -0.02 0.00 2.01 0.00 0.00 34.83 35.29 1a9x s MET 218 CO 0.01 0.29 0.14 -1.21 -0.01 0.00 0.00 175.02 174.24 1a9x s GLU 219 N -0.12 3.59 0.13 2.03 0.41 -0.73 -0.50 118.70 123.51 1a9x s GLU 219 Ca -0.00 -0.54 0.09 0.00 -0.41 0.00 0.00 54.97 54.11 1a9x s GLU 219 Cb -0.10 -3.52 -0.04 0.00 -1.78 0.00 0.00 34.13 28.69 1a9x s GLU 219 CO 0.01 -0.29 -0.18 0.08 -0.49 0.00 0.00 175.26 174.39 1a9x s VAL 220 N 1.65 2.83 -0.04 2.63 1.01 0.65 0.66 120.40 129.80 1a9x s VAL 220 Ca 0.06 -1.55 0.03 0.00 0.00 0.00 0.00 61.98 60.52 1a9x s VAL 220 Cb -0.16 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1a9x s VAL 220 CO 0.07 0.07 -0.12 -0.69 0.00 0.00 0.00 175.10 174.42 1a9x s VAL 221 N -1.21 1.05 0.00 2.92 1.01 -0.82 -0.10 120.40 123.24 1a9x s VAL 221 Ca 0.19 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1a9x s VAL 221 Cb -0.10 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1a9x s VAL 221 CO 0.10 0.32 -0.05 -0.60 0.00 0.00 0.00 175.10 174.87 1a9x s ARG 222 N 0.18 0.42 0.48 2.72 3.52 0.20 -1.92 118.95 124.55 1a9x s ARG 222 Ca -0.04 -0.26 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 1a9x s ARG 222 Cb -0.10 -0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 32.90 1a9x s ARG 222 CO 0.01 0.10 0.19 0.16 -0.81 0.00 0.00 175.30 174.96 1a9x s ASP 223 N -0.31 4.39 0.55 -2.12 1.47 -0.71 -1.60 116.67 118.33 1a9x s ASP 223 Ca 0.00 -1.30 0.28 0.00 1.18 0.00 0.00 52.55 52.71 1a9x s ASP 223 Cb -0.03 0.09 1.59 0.00 -0.34 0.00 0.00 42.92 44.23 1a9x s ASP 223 CO -0.00 -0.80 2.14 0.07 0.68 0.00 0.00 175.17 177.26 1a9x h LYS 224 N 1.21 0.00 -0.04 2.11 2.10 -1.74 -1.57 116.57 118.64 1a9x h LYS 224 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1a9x h LYS 224 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1a9x h LYS 224 CO 0.68 0.08 0.00 0.09 -2.00 0.00 0.00 179.45 178.29 1a9x n ASN 225 N -3.71 0.41 0.00 7.07 3.02 -1.26 -4.84 115.26 115.95 1a9x n ASN 225 Ca -0.02 -1.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.08 1a9x n ASN 225 Cb 0.18 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1a9x n ASN 225 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1a9x n ASP 226 N -0.53 -1.88 -4.77 6.41 2.03 -0.59 -5.01 116.55 112.20 1a9x n ASP 226 Ca 0.15 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.06 1a9x n ASP 226 Cb 0.14 -0.31 -0.01 0.00 -0.72 0.00 0.00 41.12 40.21 1a9x n ASP 226 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1a9x s ASN 227 N -2.25 6.54 -0.03 1.67 0.01 -1.26 -4.81 114.94 114.81 1a9x s ASN 227 Ca 0.00 2.88 -0.01 0.00 -0.71 0.00 0.00 52.86 55.02 1a9x s ASN 227 Cb 0.00 -2.66 0.03 0.00 0.41 0.00 0.00 41.25 39.03 1a9x s ASN 227 CO 0.00 -0.72 0.06 0.00 -1.51 0.00 0.00 177.10 174.94 1a9x s ILE 229 N 1.26 1.30 -0.34 0.00 -4.36 -0.81 -5.01 121.20 113.24 1a9x s ILE 229 Ca -0.07 -1.53 -0.18 0.00 -0.26 0.00 0.00 60.65 58.62 1a9x s ILE 229 Cb -0.13 -1.35 -0.01 0.00 1.25 0.00 0.00 42.46 42.23 1a9x s ILE 229 CO -0.04 -0.29 0.49 -0.63 0.24 0.00 0.00 174.94 174.72 1a9x s ILE 230 N -1.65 5.04 0.02 8.37 -1.09 -1.26 -1.95 121.20 128.68 1a9x s ILE 230 Ca 0.04 0.35 -0.01 0.00 -2.23 0.00 0.00 60.65 58.80 1a9x s ILE 230 Cb -0.08 -3.93 -0.27 0.00 -1.58 0.00 0.00 42.46 36.61 1a9x s ILE 230 CO 0.03 -0.17 0.92 0.58 -1.23 0.00 0.00 174.94 175.07 1a9x h VAL 231 N 5.58 1.23 -2.06 2.92 2.07 -0.13 -3.37 116.25 122.49 1a9x h VAL 231 Ca -0.28 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.35 1a9x h VAL 231 Cb 1.13 2.76 -0.19 0.00 -1.52 0.00 0.00 31.29 33.47 1a9x h VAL 231 CO 0.76 0.82 0.32 0.00 0.02 0.00 0.00 177.57 179.49 1a9x s SER 233 N -1.55 3.39 -0.02 0.00 1.04 -1.26 -1.77 113.70 113.53 1a9x s SER 233 Ca -0.05 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.73 1a9x s SER 233 Cb -0.00 -0.31 0.02 0.00 0.10 0.00 0.00 66.02 65.82 1a9x s SER 233 CO 0.02 0.21 -0.02 -0.63 0.98 0.00 0.00 173.24 173.80 1a9x s ILE 234 N -0.99 0.29 -0.18 -1.02 1.01 0.22 -3.62 121.20 116.92 1a9x s ILE 234 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 1a9x s ILE 234 Cb -0.10 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 1a9x s ILE 234 CO 0.05 0.14 -0.05 -0.70 0.00 0.00 0.00 174.94 174.39 1a9x s GLU 235 N 0.65 3.52 0.38 2.79 2.12 0.39 -1.70 118.70 126.84 1a9x s GLU 235 Ca -0.07 -0.58 -0.22 0.00 0.36 0.00 0.00 54.97 54.46 1a9x s GLU 235 Cb -0.10 -2.91 -0.10 0.00 0.26 0.00 0.00 34.13 31.28 1a9x s GLU 235 CO -0.01 0.08 0.91 -0.80 -0.54 0.00 0.00 175.26 174.90 1a9x s ASN 236 N 0.77 7.04 -0.14 -1.70 0.02 0.37 -0.62 114.94 120.69 1a9x s ASN 236 Ca -0.02 1.67 -0.19 0.00 -1.02 0.00 0.00 52.86 53.30 1a9x s ASN 236 Cb -0.15 -2.53 -0.17 0.00 0.02 0.00 0.00 41.25 38.43 1a9x s ASN 236 CO 0.02 -0.24 0.46 0.15 0.02 0.00 0.00 177.10 177.51 1a9x h PHE 237 N 2.39 0.00 -3.83 2.20 3.04 -1.47 -3.43 116.94 115.84 1a9x h PHE 237 Ca -0.48 0.00 -0.51 0.00 3.98 0.00 0.00 57.97 60.96 1a9x h PHE 237 Cb 1.18 0.00 0.03 0.00 2.56 0.00 0.00 35.95 39.72 1a9x h PHE 237 CO 0.62 0.72 0.50 -0.51 -2.02 0.00 0.00 178.31 177.62 1a9x s ASP 238 N -6.07 7.14 1.07 0.41 1.01 -1.23 -4.52 116.67 114.48 1a9x s ASP 238 Ca -0.14 2.33 -0.17 0.00 0.71 0.00 0.00 52.55 55.27 1a9x s ASP 238 Cb -0.01 -2.63 0.24 0.00 1.01 0.00 0.00 42.92 41.53 1a9x s ASP 238 CO 0.47 -0.24 1.23 0.00 0.21 0.00 0.00 175.17 176.84 1a9x s ALA 239 N -1.19 1.53 0.35 5.23 0.00 -1.26 -4.66 121.76 121.75 1a9x s ALA 239 Ca 0.46 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.05 1a9x s ALA 239 Cb -0.33 -2.82 -0.12 0.00 0.00 0.00 0.00 23.12 19.85 1a9x s ALA 239 CO 0.42 -2.94 1.35 -1.33 0.00 0.00 0.00 175.76 173.26 1a9x n MET 240 N -4.20 2.28 0.00 0.00 2.81 -0.81 -2.70 117.12 114.50 1a9x n MET 240 Ca 0.14 0.80 0.00 0.00 -1.81 0.00 0.00 57.70 56.83 1a9x n MET 240 Cb 0.59 -2.43 0.00 0.00 -0.71 0.00 0.00 33.22 30.68 1a9x n MET 240 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a9x n GLY 241 N 0.74 1.65 2.96 3.03 0.00 -1.26 -1.57 105.19 110.73 1a9x n GLY 241 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1a9x n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 242 N -2.08 1.40 0.27 -0.61 1.01 -1.10 -3.52 121.20 116.57 1a9x s ILE 242 Ca 0.00 -0.71 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 1a9x s ILE 242 Cb 0.00 -1.45 -0.15 0.00 0.01 0.00 0.00 42.46 40.87 1a9x s ILE 242 CO 0.00 0.27 0.77 1.57 0.00 0.00 0.00 174.94 177.55 1a9x n HIS 243 N 4.79 0.41 -0.21 3.97 -0.00 0.27 -4.72 115.22 119.73 1a9x n HIS 243 Ca -0.14 0.80 0.27 0.00 -0.00 0.00 0.00 57.72 58.64 1a9x n HIS 243 Cb 0.48 -2.11 0.67 0.00 -0.00 0.00 0.00 29.99 29.03 1a9x n HIS 243 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1a9x h THR 244 N 1.48 0.57 0.00 3.57 1.35 -1.92 -0.67 112.91 117.29 1a9x h THR 244 Ca -0.35 -0.04 -0.08 0.00 -0.55 0.00 0.00 66.41 65.39 1a9x h THR 244 Cb 1.38 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1a9x h THR 244 CO 0.58 0.02 -0.37 1.23 -0.25 0.00 0.00 175.52 176.73 1a9x h GLY 245 N 0.11 0.00 -2.38 5.82 0.00 -1.97 -2.48 103.07 102.16 1a9x h GLY 245 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1a9x h GLY 245 CO -0.06 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.70 1a9x n ASP 246 N -3.49 3.73 -4.83 0.19 9.92 -0.32 -4.72 116.55 117.03 1a9x n ASP 246 Ca -0.00 -2.00 -0.24 0.00 -0.53 0.00 0.00 54.79 52.02 1a9x n ASP 246 Cb 0.52 -0.43 -0.05 0.00 -0.64 0.00 0.00 41.12 40.52 1a9x n ASP 246 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1a9x s SER 247 N -1.01 5.62 0.16 -2.24 0.01 -0.84 -4.84 113.70 110.57 1a9x s SER 247 Ca 0.43 -0.14 -0.27 0.00 1.31 0.00 0.00 55.95 57.28 1a9x s SER 247 Cb 0.23 -1.48 -0.08 0.00 0.21 0.00 0.00 66.02 64.90 1a9x s SER 247 CO 0.30 0.02 0.85 -0.63 0.41 0.00 0.00 173.24 174.19 1a9x s ILE 248 N -1.91 4.35 0.09 1.44 1.01 -1.26 -4.33 121.20 120.60 1a9x s ILE 248 Ca 0.32 1.87 0.01 0.00 0.00 0.00 0.00 60.65 62.85 1a9x s ILE 248 Cb -0.09 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1a9x s ILE 248 CO 0.25 0.46 -0.04 0.42 0.00 0.00 0.00 174.94 176.02 1a9x s THR 249 N -0.82 0.53 0.11 2.92 -4.23 -0.06 -1.16 115.64 112.92 1a9x s THR 249 Ca 0.39 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1a9x s THR 249 Cb -0.24 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 1a9x s THR 249 CO 0.28 -0.85 -0.02 0.68 -0.54 0.00 0.00 174.62 174.17 1a9x s VAL 250 N -3.73 0.46 -0.01 2.29 -7.23 0.21 -1.18 120.40 111.21 1a9x s VAL 250 Ca 0.12 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1a9x s VAL 250 Cb 0.06 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 1a9x s VAL 250 CO -0.05 -0.75 -0.11 0.00 -0.31 0.00 0.00 175.10 173.88 1a9x s ALA 251 N -3.78 0.94 0.66 1.32 0.00 0.14 -0.46 121.76 120.58 1a9x s ALA 251 Ca 0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1a9x s ALA 251 Cb 0.07 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.99 1a9x s ALA 251 CO -0.03 0.23 0.26 -0.35 0.00 0.00 0.00 175.76 175.87 1a9x n PRO 252 N 2.75 0.18 -1.21 0.00 -0.04 -1.26 -0.99 135.00 134.43 1a9x n PRO 252 Ca -0.14 -0.57 -0.34 0.00 -0.04 0.00 0.00 63.50 62.41 1a9x n PRO 252 Cb 0.56 -0.21 0.12 0.00 -0.04 0.00 0.00 33.50 33.92 1a9x n PRO 252 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9x s ALA 253 N -3.27 1.92 -0.02 0.55 0.00 -1.24 -4.44 121.76 115.27 1a9x s ALA 253 Ca 0.16 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1a9x s ALA 253 Cb -0.01 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1a9x s ALA 253 CO 0.11 -2.18 -0.01 1.04 0.00 0.00 0.00 175.76 174.71 1a9x n GLN 254 N -3.10 0.04 -0.94 0.00 1.13 -1.26 -4.86 117.38 108.40 1a9x n GLN 254 Ca 0.14 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1a9x n GLN 254 Cb 0.50 -1.01 0.34 0.00 0.11 0.00 0.00 30.24 30.19 1a9x n GLN 254 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1a9x n THR 255 N -2.57 2.83 -4.46 5.09 -2.24 -1.26 -4.97 114.28 106.70 1a9x n THR 255 Ca -0.03 -1.59 -0.33 0.00 -2.27 0.00 0.00 64.05 59.84 1a9x n THR 255 Cb 0.53 -0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 1a9x n THR 255 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a9x s LEU 256 N -2.90 3.23 0.76 3.22 1.43 -1.26 -5.10 118.68 118.06 1a9x s LEU 256 Ca 0.54 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1a9x s LEU 256 Cb 0.43 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.87 1a9x s LEU 256 CO 0.14 0.30 1.08 0.42 0.23 0.00 0.00 176.35 178.52 1a9x s THR 257 N -0.98 3.38 0.36 5.49 -4.23 -1.26 -4.78 115.64 113.62 1a9x s THR 257 Ca 0.17 0.45 0.03 0.00 -1.18 0.00 0.00 61.69 61.15 1a9x s THR 257 Cb -0.11 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.81 1a9x s THR 257 CO 0.07 -0.58 2.01 -0.78 -0.54 0.00 0.00 174.62 174.79 1a9x h ASP 258 N -0.97 0.70 -0.41 3.99 3.58 -1.98 0.98 116.42 122.31 1a9x h ASP 258 Ca -0.46 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 56.98 1a9x h ASP 258 Cb 1.25 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.10 1a9x h ASP 258 CO 0.58 0.50 0.26 0.11 -2.88 0.00 0.00 179.24 177.82 1a9x h LYS 259 N 0.83 0.51 -0.23 0.28 1.57 -2.00 -1.21 116.57 116.31 1a9x h LYS 259 Ca 0.24 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 1a9x h LYS 259 Cb -0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1a9x h LYS 259 CO -0.06 0.34 -0.36 0.93 -0.57 0.00 0.00 179.45 179.73 1a9x h GLU 260 N 0.53 0.52 -0.75 3.15 5.08 -1.59 -2.82 114.58 118.71 1a9x h GLU 260 Ca 0.15 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1a9x h GLU 260 Cb -0.04 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1a9x h GLU 260 CO -0.05 0.81 0.25 -0.92 -1.00 0.00 0.00 179.01 178.10 1a9x h TYR 261 N 0.44 1.18 -0.65 4.33 5.03 -0.43 -2.60 116.97 124.27 1a9x h TYR 261 Ca 0.05 -0.11 -0.06 0.00 2.58 0.00 0.00 58.73 61.19 1a9x h TYR 261 Cb 0.84 -0.34 -0.03 0.00 1.55 0.00 0.00 36.73 38.74 1a9x h TYR 261 CO 0.03 0.92 0.19 1.96 -1.32 0.00 0.00 178.16 179.94 1a9x h GLN 262 N 1.10 1.03 -0.74 1.82 1.08 -1.07 0.20 115.11 118.53 1a9x h GLN 262 Ca 0.24 -0.23 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1a9x h GLN 262 Cb 0.28 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1a9x h GLN 262 CO -0.01 0.91 0.36 0.82 -0.95 0.00 0.00 178.83 179.96 1a9x h ILE 263 N 0.96 1.24 -0.24 2.54 2.04 -1.41 0.27 117.51 122.90 1a9x h ILE 263 Ca 0.21 -0.66 -0.19 0.00 1.00 0.00 0.00 64.86 65.21 1a9x h ILE 263 Cb 0.32 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1a9x h ILE 263 CO -0.00 0.28 -0.61 -0.03 0.00 0.00 0.00 178.15 177.78 1a9x h MET 264 N 1.04 0.82 -0.73 2.37 4.05 -1.05 -1.14 114.93 120.28 1a9x h MET 264 Ca 0.25 -0.56 -0.06 0.00 -0.28 0.00 0.00 59.70 59.06 1a9x h MET 264 Cb 0.11 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1a9x h MET 264 CO -0.03 1.18 0.22 -0.09 0.23 0.00 0.00 176.91 178.42 1a9x h ARG 265 N 0.61 1.14 -0.47 0.39 2.43 -0.37 0.17 114.38 118.28 1a9x h ARG 265 Ca -0.00 -0.25 -0.12 0.00 -0.81 0.00 0.00 59.98 58.79 1a9x h ARG 265 Cb 1.22 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1a9x h ARG 265 CO 0.13 0.98 -0.18 -0.91 -1.51 0.00 0.00 179.97 178.48 1a9x h ASN 266 N 1.09 0.95 -0.10 -3.80 -0.26 -0.32 -2.78 115.58 110.37 1a9x h ASN 266 Ca 0.23 -0.34 -0.11 0.00 -0.56 0.00 0.00 56.30 55.52 1a9x h ASN 266 Cb 0.32 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1a9x h ASN 266 CO -0.01 1.11 -0.30 0.00 -1.06 0.00 0.00 177.43 177.18 1a9x h ALA 267 N 0.96 0.97 -0.25 -0.83 0.00 -1.00 -1.00 119.26 118.12 1a9x h ALA 267 Ca 0.12 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1a9x h ALA 267 Cb 0.74 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1a9x h ALA 267 CO 0.06 0.60 0.14 0.77 0.00 0.00 0.00 179.25 180.83 1a9x h SER 268 N 0.49 0.24 0.12 0.00 0.02 -0.76 -0.91 113.55 112.75 1a9x h SER 268 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1a9x h SER 268 Cb 0.76 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1a9x h SER 268 CO 0.06 0.17 -0.06 0.24 -1.14 0.00 0.00 176.83 176.11 1a9x h MET 269 N 0.30 -0.15 -0.99 3.45 2.86 -1.38 -2.58 114.93 116.44 1a9x h MET 269 Ca 0.10 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.93 1a9x h MET 269 Cb -0.01 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 31.58 1a9x h MET 269 CO -0.04 0.06 0.59 0.00 1.06 0.00 0.00 176.91 178.58 1a9x h ALA 270 N 0.51 1.63 -0.26 6.32 0.00 -1.02 -0.51 119.26 125.93 1a9x h ALA 270 Ca -0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a9x h ALA 270 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a9x h ALA 270 CO 0.03 -0.05 0.13 0.28 0.00 0.00 0.00 179.25 179.64 1a9x h VAL 271 N 0.75 1.14 -0.61 0.00 2.07 -0.96 0.86 116.25 119.50 1a9x h VAL 271 Ca 0.57 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1a9x h VAL 271 Cb 0.87 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1a9x h VAL 271 CO -0.38 0.14 0.32 -0.07 0.02 0.00 0.00 177.57 177.60 1a9x h LEU 272 N 0.30 0.78 -0.67 2.57 4.07 -0.75 -0.17 115.31 121.43 1a9x h LEU 272 Ca 0.09 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 57.95 1a9x h LEU 272 Cb 0.10 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 1a9x h LEU 272 CO -0.01 0.67 0.44 0.03 -1.08 0.00 0.00 178.44 178.49 1a9x h ARG 273 N 0.83 0.87 -0.31 1.13 3.08 -0.93 0.29 114.38 119.35 1a9x h ARG 273 Ca 0.21 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 1a9x h ARG 273 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1a9x h ARG 273 CO -0.03 0.58 -0.24 1.49 -1.07 0.00 0.00 179.97 180.70 1a9x h GLU 274 N 0.90 0.70 0.00 0.04 4.57 -0.49 -2.97 114.58 117.32 1a9x h GLU 274 Ca 0.25 -0.35 -0.08 0.00 -1.18 0.00 0.00 59.36 58.00 1a9x h GLU 274 Cb -0.09 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1a9x h GLU 274 CO -0.06 0.95 -0.38 0.82 -1.18 0.00 0.00 179.01 179.17 1a9x h ILE 275 N 0.45 0.88 0.00 2.32 1.08 -0.87 -3.47 117.51 117.90 1a9x h ILE 275 Ca 0.06 -1.54 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1a9x h ILE 275 Cb 0.80 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1a9x h ILE 275 CO 0.06 0.37 0.00 0.61 -0.69 0.00 0.00 178.15 178.50 1a9x n GLY 276 N 0.26 1.23 3.65 5.37 0.00 0.00 -4.43 105.19 111.28 1a9x n GLY 276 Ca -0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1a9x n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 277 N -2.00 4.69 -0.07 1.61 1.01 -0.67 -4.79 120.40 120.19 1a9x s VAL 277 Ca 0.00 1.85 0.02 0.00 0.00 0.00 0.00 61.98 63.85 1a9x s VAL 277 Cb 0.00 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1a9x s VAL 277 CO 0.00 -0.20 0.08 -0.62 0.00 0.00 0.00 175.10 174.35 1a9x n GLU 278 N 6.33 3.85 -3.02 2.72 1.02 -1.26 -4.59 120.64 125.69 1a9x n GLU 278 Ca 0.10 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.08 1a9x n GLU 278 Cb 0.47 -0.78 -0.01 0.00 -0.02 0.00 0.00 31.44 31.10 1a9x n GLU 278 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1a9x n THR 279 N -1.26 0.16 -2.31 2.62 -2.24 -1.22 -2.42 114.28 107.60 1a9x n THR 279 Ca 0.00 -4.03 0.00 0.00 -2.27 0.00 0.00 64.05 57.75 1a9x n THR 279 Cb 0.04 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1a9x n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 280 N 0.18 -0.61 3.77 3.38 0.00 -0.62 -3.66 105.19 107.62 1a9x n GLY 280 Ca 0.20 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1a9x n GLY 280 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a9x s GLY 281 N 0.00 1.55 0.15 -0.02 0.00 -1.26 0.61 107.32 108.35 1a9x s GLY 281 Ca 0.00 -1.54 -0.20 0.00 0.00 0.00 0.00 44.72 42.99 1a9x s GLY 281 CO 0.00 -1.57 0.51 -0.56 0.00 0.00 0.00 173.10 171.49 1a9x s SER 282 N -3.81 -0.40 -0.12 1.64 0.01 0.85 -3.39 113.70 108.48 1a9x s SER 282 Ca 0.34 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1a9x s SER 282 Cb -0.07 0.55 -0.02 0.00 0.21 0.00 0.00 66.02 66.69 1a9x s SER 282 CO 0.23 -0.94 -0.13 0.21 0.41 0.00 0.00 173.24 173.03 1a9x s ASN 283 N -2.79 4.02 -0.12 2.44 3.84 -1.05 -0.25 114.94 121.03 1a9x s ASN 283 Ca 0.03 -0.31 0.02 0.00 0.21 0.00 0.00 52.86 52.81 1a9x s ASN 283 Cb 0.00 -1.52 -0.00 0.00 -0.55 0.00 0.00 41.25 39.18 1a9x s ASN 283 CO -0.11 0.19 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.49 1a9x s VAL 284 N 0.21 2.33 -0.02 -5.21 1.01 0.35 -1.73 120.40 117.34 1a9x s VAL 284 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1a9x s VAL 284 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1a9x s VAL 284 CO 0.05 0.55 0.02 -1.10 0.00 0.00 0.00 175.10 174.62 1a9x s GLN 285 N 0.49 2.91 0.17 2.72 -0.21 -0.35 -1.12 119.66 124.26 1a9x s GLN 285 Ca -0.14 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.73 1a9x s GLN 285 Cb -0.17 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.04 1a9x s GLN 285 CO 0.05 0.65 0.03 -0.06 -2.12 0.00 0.00 175.29 173.84 1a9x s PHE 286 N -1.06 1.15 -0.04 0.91 0.40 0.46 -0.56 117.98 119.23 1a9x s PHE 286 Ca 0.19 -1.10 0.05 0.00 -0.60 0.00 0.00 56.93 55.47 1a9x s PHE 286 Cb -0.12 -0.65 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 1a9x s PHE 286 CO 0.09 -0.32 -0.20 0.00 0.70 0.00 0.00 175.22 175.49 1a9x s ALA 287 N -3.79 1.77 -0.09 5.36 0.00 -0.04 -1.65 121.76 123.33 1a9x s ALA 287 Ca 0.26 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1a9x s ALA 287 Cb 0.07 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1a9x s ALA 287 CO 0.05 0.35 -0.12 0.08 0.00 0.00 0.00 175.76 176.12 1a9x s VAL 288 N -0.14 1.18 -0.34 0.00 1.01 -0.18 -1.16 120.40 120.77 1a9x s VAL 288 Ca -0.01 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1a9x s VAL 288 Cb -0.11 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1a9x s VAL 288 CO 0.02 0.37 1.13 0.21 0.00 0.00 0.00 175.10 176.84 1a9x s ASN 289 N 0.98 6.83 0.53 3.32 3.84 -0.70 0.06 114.94 129.80 1a9x s ASN 289 Ca -0.08 0.99 0.36 0.00 0.21 0.00 0.00 52.86 54.33 1a9x s ASN 289 Cb -0.15 -2.54 1.92 0.00 -0.55 0.00 0.00 41.25 39.92 1a9x s ASN 289 CO -0.00 -0.98 2.09 1.55 -2.79 0.00 0.00 177.10 176.97 1a9x h PRO 290 N 8.52 0.00 0.00 0.43 0.13 -1.91 -0.84 132.00 138.33 1a9x h PRO 290 Ca -0.22 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.74 1a9x h PRO 290 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1a9x h PRO 290 CO 1.05 0.00 -0.79 0.87 -0.23 0.00 0.00 178.00 178.90 1a9x h LYS 291 N 0.00 0.00 0.00 0.86 1.57 -1.99 -3.41 116.57 113.61 1a9x h LYS 291 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a9x h LYS 291 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1a9x h LYS 291 CO 0.00 0.79 -0.10 0.27 -0.57 0.00 0.00 179.45 179.84 1a9x n ASN 292 N -3.42 0.00 0.00 0.86 0.23 -1.00 -5.00 115.26 106.93 1a9x n ASN 292 Ca 0.00 -1.20 0.00 0.00 -0.53 0.00 0.00 54.58 52.85 1a9x n ASN 292 Cb 0.81 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.47 1a9x n ASN 292 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a9x n GLY 293 N 0.00 0.59 3.67 4.83 0.00 -0.36 -4.96 105.19 108.97 1a9x n GLY 293 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1a9x n GLY 293 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a9x n ARG 294 N -1.92 2.16 -3.94 1.61 0.63 -1.25 -4.67 116.66 109.28 1a9x n ARG 294 Ca 0.00 0.79 -0.35 0.00 -0.92 0.00 0.00 57.85 57.37 1a9x n ARG 294 Cb 0.03 -2.60 -0.09 0.00 0.45 0.00 0.00 32.46 30.25 1a9x n ARG 294 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1a9x s LEU 295 N 2.61 3.91 -0.13 6.15 2.96 -1.26 -1.72 118.68 131.20 1a9x s LEU 295 Ca 0.86 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.91 1a9x s LEU 295 Cb -0.69 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.02 1a9x s LEU 295 CO 0.45 0.17 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.85 1a9x s ILE 296 N 0.37 1.77 -0.10 6.68 1.01 -0.31 -4.34 121.20 126.29 1a9x s ILE 296 Ca 0.04 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 1a9x s ILE 296 Cb -0.12 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1a9x s ILE 296 CO -0.00 0.49 1.10 -0.69 0.00 0.00 0.00 174.94 175.84 1a9x s VAL 297 N 1.01 4.53 -0.25 2.92 1.01 0.24 -0.86 120.40 129.00 1a9x s VAL 297 Ca -0.04 1.83 -0.06 0.00 0.00 0.00 0.00 61.98 63.71 1a9x s VAL 297 Cb -0.15 -4.17 -0.16 0.00 0.00 0.00 0.00 36.38 31.90 1a9x s VAL 297 CO -0.04 -0.02 -0.21 -0.38 0.00 0.00 0.00 175.10 174.45 1a9x n ILE 298 N 4.69 1.53 -3.87 2.22 2.08 0.28 -4.54 119.36 121.75 1a9x n ILE 298 Ca 0.10 -0.48 -0.01 0.00 0.56 0.00 0.00 62.75 62.92 1a9x n ILE 298 Cb 0.47 -1.64 0.01 0.00 -0.75 0.00 0.00 39.64 37.73 1a9x n ILE 298 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1a9x s GLU 299 N -2.51 0.87 -0.08 0.38 -1.05 -1.21 -4.99 118.70 110.12 1a9x s GLU 299 Ca -0.35 -0.55 -0.11 0.00 -0.15 0.00 0.00 54.97 53.81 1a9x s GLU 299 Cb 0.11 0.25 0.03 0.00 -0.44 0.00 0.00 34.13 34.08 1a9x s GLU 299 CO 0.57 -0.41 0.29 0.00 0.95 0.00 0.00 175.26 176.66 1a9x s MET 300 N -2.26 0.43 -0.31 -4.83 0.23 -1.26 -1.22 119.30 110.09 1a9x s MET 300 Ca 0.22 0.21 0.04 0.00 -1.03 0.00 0.00 55.69 55.12 1a9x s MET 300 Cb -0.01 0.20 0.08 0.00 -1.53 0.00 0.00 34.83 33.58 1a9x s MET 300 CO 0.02 -0.08 -0.01 -0.80 -2.03 0.00 0.00 175.02 172.12 1a9x s ASN 301 N -0.32 4.62 -0.45 -1.18 0.01 -0.71 -4.76 114.94 112.17 1a9x s ASN 301 Ca -0.04 -1.85 -0.05 0.00 -0.71 0.00 0.00 52.86 50.21 1a9x s ASN 301 Cb -0.03 -1.58 -0.11 0.00 0.41 0.00 0.00 41.25 39.93 1a9x s ASN 301 CO 0.01 -0.31 2.29 -0.81 -1.51 0.00 0.00 177.10 176.78 1a9x n PRO 302 N 4.33 1.67 -3.18 -0.60 -0.04 -1.26 -2.54 135.00 133.38 1a9x n PRO 302 Ca -0.03 -1.02 0.02 0.00 -0.04 0.00 0.00 63.50 62.43 1a9x n PRO 302 Cb 0.42 -2.11 0.01 0.00 -0.04 0.00 0.00 33.50 31.78 1a9x n PRO 302 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1a9x n ARG 303 N 3.36 0.09 -1.88 0.54 1.85 -1.22 -4.87 116.66 114.53 1a9x n ARG 303 Ca 0.36 -0.45 -0.32 0.00 -1.00 0.00 0.00 57.85 56.44 1a9x n ARG 303 Cb 0.37 0.76 0.02 0.00 -1.05 0.00 0.00 32.46 32.56 1a9x n ARG 303 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1a9x s VAL 304 N -2.06 4.11 0.09 8.89 -7.23 -0.71 -4.33 120.40 119.16 1a9x s VAL 304 Ca 0.19 0.83 -0.01 0.00 -1.81 0.00 0.00 61.98 61.18 1a9x s VAL 304 Cb -0.00 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1a9x s VAL 304 CO -0.01 -0.75 0.13 -1.54 -0.31 0.00 0.00 175.10 172.63 1a9x n SER 305 N -2.49 -0.37 0.18 4.85 3.41 -1.26 -4.71 113.62 113.22 1a9x n SER 305 Ca 0.08 -1.49 0.04 0.00 -0.26 0.00 0.00 58.87 57.24 1a9x n SER 305 Cb 0.53 0.69 0.29 0.00 -0.26 0.00 0.00 64.21 65.47 1a9x n SER 305 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1a9x h ARG 306 N 0.00 0.00 -0.00 4.33 0.11 -1.94 -2.57 114.38 114.31 1a9x h ARG 306 Ca -0.07 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.82 1a9x h ARG 306 Cb 0.31 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.38 1a9x h ARG 306 CO 0.10 0.43 -0.84 0.77 0.10 0.00 0.00 179.97 180.53 1a9x h SER 307 N 0.00 0.16 0.79 0.08 0.02 -1.99 -2.49 113.55 110.12 1a9x h SER 307 Ca -0.00 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 1a9x h SER 307 Cb 0.95 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1a9x h SER 307 CO 0.06 0.93 -0.42 0.77 -1.14 0.00 0.00 176.83 177.02 1a9x h SER 308 N 0.07 0.00 -0.13 3.07 4.64 -1.88 0.59 113.55 119.91 1a9x h SER 308 Ca -0.03 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.22 1a9x h SER 308 Cb 1.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1a9x h SER 308 CO 0.12 0.42 -0.20 0.00 -0.87 0.00 0.00 176.83 176.30 1a9x h ALA 309 N 1.58 0.19 -0.23 5.18 0.00 -1.34 -2.06 119.26 122.59 1a9x h ALA 309 Ca -0.00 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1a9x h ALA 309 Cb 0.93 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1a9x h ALA 309 CO 0.05 0.13 -0.09 1.25 0.00 0.00 0.00 179.25 180.60 1a9x h LEU 310 N -0.05 -0.32 -1.28 0.00 5.85 -1.18 -0.99 115.31 117.34 1a9x h LEU 310 Ca 0.01 0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.97 1a9x h LEU 310 Cb 0.77 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 1a9x h LEU 310 CO 0.05 -0.12 0.58 0.00 -0.34 0.00 0.00 178.44 178.61 1a9x h ALA 311 N 1.15 1.85 -0.26 1.25 0.00 -0.87 0.47 119.26 122.85 1a9x h ALA 311 Ca 0.12 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1a9x h ALA 311 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1a9x h ALA 311 CO -0.27 -0.10 -0.46 0.77 0.00 0.00 0.00 179.25 179.19 1a9x h SER 312 N 0.68 0.86 -0.38 0.00 0.02 -0.58 0.12 113.55 114.27 1a9x h SER 312 Ca 0.46 -0.53 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 1a9x h SER 312 Cb 0.77 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1a9x h SER 312 CO -0.22 1.23 -0.00 0.11 -1.14 0.00 0.00 176.83 176.81 1a9x h LYS 313 N 0.53 0.68 -0.43 3.45 1.79 -0.28 0.34 116.57 122.64 1a9x h LYS 313 Ca 0.02 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 1a9x h LYS 313 Cb 1.07 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 1a9x h LYS 313 CO 0.10 0.78 0.19 0.00 -1.08 0.00 0.00 179.45 179.45 1a9x h ALA 314 N 0.87 0.56 0.00 3.86 0.00 0.07 -3.32 119.26 121.30 1a9x h ALA 314 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a9x h ALA 314 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a9x h ALA 314 CO 0.02 0.14 -1.97 0.25 0.00 0.00 0.00 179.25 177.69 1a9x n THR 315 N -4.65 0.00 -0.76 0.00 -2.24 0.02 -4.98 114.28 101.67 1a9x n THR 315 Ca 0.01 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1a9x n THR 315 Cb 0.13 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1a9x n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 316 N 1.27 0.71 3.47 3.38 0.00 0.12 -2.54 105.19 111.59 1a9x n GLY 316 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1a9x n GLY 316 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a9x s PHE 317 N -2.52 3.24 -1.10 1.61 2.19 -1.22 -4.62 117.98 115.57 1a9x s PHE 317 Ca 0.00 -0.55 -0.22 0.00 0.33 0.00 0.00 56.93 56.49 1a9x s PHE 317 Cb 0.00 -2.57 0.02 0.00 -1.31 0.00 0.00 43.02 39.16 1a9x s PHE 317 CO 0.00 -0.56 1.68 -1.25 1.83 0.00 0.00 175.22 176.92 1a9x s PRO 318 N 1.68 3.36 0.13 10.12 0.04 -1.26 -4.20 135.00 144.88 1a9x s PRO 318 Ca 0.05 -1.21 -0.29 0.00 0.04 0.00 0.00 61.00 59.60 1a9x s PRO 318 Cb -0.19 -5.34 -0.05 0.00 0.04 0.00 0.00 34.50 28.96 1a9x s PRO 318 CO 0.10 -2.67 1.59 0.82 0.04 0.00 0.00 177.00 176.87 1a9x h ILE 319 N 6.47 0.16 -0.48 0.56 2.04 -1.93 -1.94 117.51 122.39 1a9x h ILE 319 Ca 0.25 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.18 1a9x h ILE 319 Cb 0.96 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1a9x h ILE 319 CO 1.37 0.00 0.15 0.00 0.00 0.00 0.00 178.15 179.67 1a9x h ALA 320 N 0.17 0.57 -0.03 1.87 0.00 -1.91 0.33 119.26 120.25 1a9x h ALA 320 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1a9x h ALA 320 Cb 0.62 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1a9x h ALA 320 CO -0.39 -0.25 -0.03 -0.22 0.00 0.00 0.00 179.25 178.36 1a9x h LYS 321 N 0.31 -0.03 0.60 0.00 3.64 -1.77 -0.23 116.57 119.09 1a9x h LYS 321 Ca 0.23 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1a9x h LYS 321 Cb 0.27 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1a9x h LYS 321 CO -0.26 -0.02 -0.34 0.28 -2.27 0.00 0.00 179.45 176.84 1a9x h VAL 322 N -0.03 0.31 -1.00 2.00 2.07 -1.02 -2.56 116.25 116.01 1a9x h VAL 322 Ca 0.02 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.76 1a9x h VAL 322 Cb 0.07 0.31 -0.11 0.00 -1.52 0.00 0.00 31.29 30.04 1a9x h VAL 322 CO -0.05 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.15 1a9x h ALA 323 N -0.52 1.81 -0.55 1.67 0.00 -0.13 0.10 119.26 121.64 1a9x h ALA 323 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a9x h ALA 323 Cb 0.70 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1a9x h ALA 323 CO 0.10 -0.21 0.35 0.00 0.00 0.00 0.00 179.25 179.49 1a9x h ALA 324 N 1.67 0.70 -0.35 0.00 0.00 -0.69 -0.44 119.26 120.15 1a9x h ALA 324 Ca 0.60 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.38 1a9x h ALA 324 Cb 1.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1a9x h ALA 324 CO -0.39 0.15 -0.09 0.87 0.00 0.00 0.00 179.25 179.79 1a9x h LYS 325 N 0.74 0.60 -0.11 0.00 1.57 -0.65 -2.38 116.57 116.35 1a9x h LYS 325 Ca 0.20 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 1a9x h LYS 325 Cb -0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1a9x h LYS 325 CO -0.04 0.69 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.93 1a9x h LEU 326 N 0.56 0.34 -1.73 2.94 4.07 -0.61 -1.71 115.31 119.17 1a9x h LEU 326 Ca 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1a9x h LEU 326 Cb 0.50 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1a9x h LEU 326 CO 0.03 0.80 -0.01 0.00 -1.08 0.00 0.00 178.44 178.18 1a9x h ALA 327 N 1.20 1.79 -0.88 1.53 0.00 -0.56 -2.34 119.26 120.00 1a9x h ALA 327 Ca 0.01 -0.08 -0.46 0.00 0.00 0.00 0.00 54.91 54.38 1a9x h ALA 327 Cb 1.01 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.47 1a9x h ALA 327 CO 0.09 0.17 0.58 1.33 0.00 0.00 0.00 179.25 181.41 1a9x n VAL 328 N -4.43 2.95 0.00 0.00 0.24 -1.07 -4.33 118.33 111.69 1a9x n VAL 328 Ca -0.01 -1.69 0.00 0.00 -2.04 0.00 0.00 64.34 60.59 1a9x n VAL 328 Cb 0.15 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 1a9x n VAL 328 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 329 N -0.95 2.74 3.76 7.63 0.00 -0.88 -0.74 105.19 116.75 1a9x n GLY 329 Ca 0.53 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1a9x n GLY 329 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 330 N -2.74 2.51 0.17 1.61 2.02 -0.66 -4.02 117.35 116.23 1a9x s TYR 330 Ca 0.00 1.57 0.08 0.00 -0.37 0.00 0.00 57.07 58.35 1a9x s TYR 330 Cb 0.00 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 1a9x s TYR 330 CO 0.00 -1.87 -0.06 0.95 -1.57 0.00 0.00 175.55 173.00 1a9x s THR 331 N -2.89 3.39 0.25 -0.71 -4.23 -1.18 -4.29 115.64 105.97 1a9x s THR 331 Ca 0.62 -1.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 1a9x s THR 331 Cb -0.18 -2.68 0.21 0.00 1.34 0.00 0.00 72.50 71.20 1a9x s THR 331 CO 0.56 -0.09 1.78 -0.07 -0.54 0.00 0.00 174.62 176.26 1a9x h LEU 332 N 2.90 0.54 -2.28 4.79 3.38 -1.94 -0.00 115.31 122.69 1a9x h LEU 332 Ca -0.47 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1a9x h LEU 332 Cb 1.20 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1a9x h LEU 332 CO 0.55 0.27 -0.03 -2.24 0.09 0.00 0.00 178.44 177.09 1a9x h ASP 333 N 0.66 0.00 1.40 -0.43 2.03 -1.92 -2.45 116.42 115.71 1a9x h ASP 333 Ca 0.41 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.69 1a9x h ASP 333 Cb 0.48 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1a9x h ASP 333 CO -0.30 0.03 -0.60 -0.33 -1.03 0.00 0.00 179.24 177.00 1a9x h GLU 334 N 0.00 0.00 -6.68 4.15 5.08 -1.39 -3.45 114.58 112.29 1a9x h GLU 334 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1a9x h GLU 334 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1a9x h GLU 334 CO 0.00 0.06 0.05 -0.51 -1.00 0.00 0.00 179.01 177.61 1a9x s LEU 335 N -5.80 4.07 0.13 1.33 1.43 -0.94 -5.00 118.68 113.90 1a9x s LEU 335 Ca 0.03 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1a9x s LEU 335 Cb 0.08 -4.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.26 1a9x s LEU 335 CO 0.74 -0.19 0.29 -0.04 0.23 0.00 0.00 176.35 177.38 1a9x s MET 336 N -3.01 3.48 -0.17 1.70 -1.94 -1.26 -1.05 119.30 117.04 1a9x s MET 336 Ca 0.53 -0.43 -0.27 0.00 -1.71 0.00 0.00 55.69 53.80 1a9x s MET 336 Cb -0.10 -2.95 -0.01 0.00 2.01 0.00 0.00 34.83 33.78 1a9x s MET 336 CO 0.19 0.52 0.91 1.21 -0.01 0.00 0.00 175.02 177.84 1a9x s ASN 337 N -2.88 7.05 0.05 3.03 2.47 0.18 -4.36 114.94 120.48 1a9x s ASN 337 Ca 0.36 1.30 -0.16 0.00 0.42 0.00 0.00 52.86 54.78 1a9x s ASN 337 Cb -0.12 -2.50 -0.06 0.00 -1.45 0.00 0.00 41.25 37.12 1a9x s ASN 337 CO 0.28 -0.46 1.25 0.44 -3.72 0.00 0.00 177.10 174.89 1a9x h ASP 338 N 7.30 -0.78 1.30 -4.21 5.19 -1.89 -0.91 116.42 122.43 1a9x h ASP 338 Ca -0.28 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1a9x h ASP 338 Cb 1.12 0.30 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1a9x h ASP 338 CO 0.87 -0.23 0.00 0.16 -3.12 0.00 0.00 179.24 176.91 1a9x h ILE 339 N -0.29 0.00 -0.05 0.35 3.07 -1.92 -2.96 117.51 115.71 1a9x h ILE 339 Ca 0.01 -0.64 -0.03 0.00 1.55 0.00 0.00 64.86 65.75 1a9x h ILE 339 Cb 0.33 1.63 -0.01 0.00 -0.27 0.00 0.00 36.82 38.49 1a9x h ILE 339 CO -0.18 0.00 0.03 0.35 -1.05 0.00 0.00 178.15 177.30 1a9x n THR 340 N -3.04 1.05 -3.73 0.16 -2.24 -1.18 -3.56 114.28 101.74 1a9x n THR 340 Ca 0.02 -0.10 -0.26 0.00 -2.27 0.00 0.00 64.05 61.44 1a9x n THR 340 Cb 0.37 -0.94 0.05 0.00 -2.10 0.00 0.00 70.33 67.71 1a9x n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 341 N 0.39 -0.49 2.33 3.38 0.00 -1.12 -1.34 105.19 108.33 1a9x n GLY 341 Ca 0.03 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1a9x n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 342 N -1.79 1.03 0.14 -0.02 0.00 -0.35 -4.84 105.19 99.37 1a9x n GLY 342 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1a9x n GLY 342 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a9x h ARG 343 N 0.00 0.37 -6.36 1.61 3.08 -1.40 -3.42 114.38 108.26 1a9x h ARG 343 Ca -0.22 -0.28 -0.44 0.00 0.07 0.00 0.00 59.98 59.11 1a9x h ARG 343 Cb 0.92 0.05 0.01 0.00 0.08 0.00 0.00 29.97 31.02 1a9x h ARG 343 CO 0.33 0.91 -0.31 0.95 -1.07 0.00 0.00 179.97 180.77 1a9x s THR 344 N -3.76 3.33 0.75 2.04 -4.23 -1.26 -4.94 115.64 107.56 1a9x s THR 344 Ca -0.14 -1.06 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 1a9x s THR 344 Cb 0.04 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.87 1a9x s THR 344 CO 0.78 -0.06 1.03 -2.16 -0.54 0.00 0.00 174.62 173.67 1a9x s PRO 345 N -4.25 1.60 0.00 3.99 0.04 -1.26 0.52 135.00 135.64 1a9x s PRO 345 Ca 0.50 -0.93 0.29 0.00 0.04 0.00 0.00 61.00 60.90 1a9x s PRO 345 Cb -0.09 -2.25 1.23 0.00 0.04 0.00 0.00 34.50 33.43 1a9x s PRO 345 CO 0.31 -1.54 1.86 0.00 0.04 0.00 0.00 177.00 177.67 1a9x n ALA 346 N -2.96 2.76 -2.84 8.56 0.00 -0.22 -3.93 120.51 121.88 1a9x n ALA 346 Ca 0.14 -0.28 -0.44 0.00 0.00 0.00 0.00 53.44 52.86 1a9x n ALA 346 Cb 0.60 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 1a9x n ALA 346 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a9x s SER 347 N -2.42 6.99 0.19 0.00 1.04 -1.15 -4.88 113.70 113.46 1a9x s SER 347 Ca 0.30 -2.79 -0.23 0.00 0.48 0.00 0.00 55.95 53.71 1a9x s SER 347 Cb 0.20 -2.45 0.05 0.00 0.10 0.00 0.00 66.02 63.92 1a9x s SER 347 CO 0.46 -0.88 0.75 0.72 0.98 0.00 0.00 173.24 175.27 1a9x s PHE 348 N 2.39 -0.30 -0.24 5.02 -0.71 -1.26 -4.94 117.98 117.94 1a9x s PHE 348 Ca 0.45 -0.03 -0.09 0.00 -1.04 0.00 0.00 56.93 56.23 1a9x s PHE 348 Cb -0.01 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.39 1a9x s PHE 348 CO 0.02 -0.97 0.11 -1.21 -1.34 0.00 0.00 175.22 171.83 1a9x s GLU 349 N -3.66 3.87 0.57 1.99 2.02 -1.26 -4.83 118.70 117.39 1a9x s GLU 349 Ca 0.08 -0.37 -0.20 0.00 0.02 0.00 0.00 54.97 54.50 1a9x s GLU 349 Cb -0.03 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1a9x s GLU 349 CO -0.01 -0.02 1.22 -2.14 0.02 0.00 0.00 175.26 174.32 1a9x s PRO 350 N 1.23 3.12 -0.09 0.39 0.02 -1.26 -4.99 135.00 133.42 1a9x s PRO 350 Ca 0.06 1.86 0.01 0.00 0.02 0.00 0.00 61.00 62.95 1a9x s PRO 350 Cb -0.14 -2.04 0.02 0.00 0.02 0.00 0.00 34.50 32.35 1a9x s PRO 350 CO 0.05 -1.10 -0.12 0.45 -0.33 0.00 0.00 177.00 175.95 1a9x s SER 351 N -1.49 2.06 0.13 2.53 0.15 0.52 -4.96 113.70 112.63 1a9x s SER 351 Ca 0.75 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 57.14 1a9x s SER 351 Cb -0.31 -0.90 -0.04 0.00 -1.71 0.00 0.00 66.02 63.06 1a9x s SER 351 CO 0.35 -0.01 -0.10 0.27 1.20 0.00 0.00 173.24 174.94 1a9x s ILE 352 N 1.01 3.28 -0.54 6.45 -4.36 -1.26 -0.40 121.20 125.38 1a9x s ILE 352 Ca -0.08 -1.39 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 1a9x s ILE 352 Cb -0.15 -2.56 0.42 0.00 1.25 0.00 0.00 42.46 41.43 1a9x s ILE 352 CO -0.01 0.05 1.52 -0.90 0.24 0.00 0.00 174.94 175.85 1a9x n ASP 353 N 0.53 6.01 -2.75 4.36 5.68 -1.26 -4.85 116.55 124.27 1a9x n ASP 353 Ca -0.13 -3.77 -0.06 0.00 -0.50 0.00 0.00 54.79 50.33 1a9x n ASP 353 Cb 0.53 -0.67 0.02 0.00 -1.14 0.00 0.00 41.12 39.87 1a9x n ASP 353 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a9x n TYR 354 N -0.64 -1.84 -5.08 2.11 0.18 -1.26 -4.89 117.16 105.74 1a9x n TYR 354 Ca 0.49 -1.43 -0.30 0.00 1.88 0.00 0.00 57.90 58.53 1a9x n TYR 354 Cb 0.65 0.71 -0.17 0.00 -0.38 0.00 0.00 39.34 40.15 1a9x n TYR 354 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1a9x s VAL 355 N -2.17 1.84 -0.15 -3.48 1.01 0.54 -4.67 120.40 113.31 1a9x s VAL 355 Ca 0.16 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1a9x s VAL 355 Cb -0.04 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1a9x s VAL 355 CO 0.08 0.51 -0.04 -0.69 0.00 0.00 0.00 175.10 174.97 1a9x s VAL 356 N 0.26 3.92 -0.03 2.92 1.01 -0.16 -1.28 120.40 127.04 1a9x s VAL 356 Ca -0.14 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1a9x s VAL 356 Cb -0.16 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1a9x s VAL 356 CO 0.06 0.50 -0.17 -0.89 0.00 0.00 0.00 175.10 174.60 1a9x s THR 357 N 0.23 1.43 -0.06 3.92 2.01 -0.06 0.27 115.64 123.38 1a9x s THR 357 Ca -0.02 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1a9x s THR 357 Cb -0.14 -1.21 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 1a9x s THR 357 CO 0.03 0.41 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.43 1a9x s LYS 358 N -0.14 2.09 -0.05 4.92 2.20 -0.33 -0.19 119.74 128.24 1a9x s LYS 358 Ca 0.00 -0.66 0.04 0.00 -0.36 0.00 0.00 55.97 54.99 1a9x s LYS 358 Cb -0.10 -1.73 0.00 0.00 -1.51 0.00 0.00 37.83 34.49 1a9x s LYS 358 CO 0.01 0.21 -0.16 0.42 -0.36 0.00 0.00 175.35 175.48 1a9x s ILE 359 N 0.18 1.32 0.53 5.43 1.01 -0.72 -0.88 121.20 128.06 1a9x s ILE 359 Ca -0.08 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.75 1a9x s ILE 359 Cb -0.14 -1.14 -0.07 0.00 0.01 0.00 0.00 42.46 41.12 1a9x s ILE 359 CO 0.04 0.39 1.03 -2.16 0.00 0.00 0.00 174.94 174.23 1a9x s PRO 360 N 0.16 3.67 -0.17 2.79 0.04 -1.26 -1.32 135.00 138.91 1a9x s PRO 360 Ca -0.06 1.20 -0.05 0.00 0.04 0.00 0.00 61.00 62.13 1a9x s PRO 360 Cb -0.12 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1a9x s PRO 360 CO 0.02 -0.52 0.01 0.50 0.04 0.00 0.00 177.00 177.06 1a9x s ARG 361 N -3.72 3.79 0.45 4.56 6.06 0.25 -4.88 118.95 125.47 1a9x s ARG 361 Ca 0.64 -0.45 0.06 0.00 -2.50 0.00 0.00 55.73 53.48 1a9x s ARG 361 Cb -0.14 -3.07 -0.03 0.00 0.06 0.00 0.00 34.95 31.77 1a9x s ARG 361 CO 0.28 0.22 0.21 -0.06 -2.50 0.00 0.00 175.30 173.45 1a9x s PHE 362 N 0.46 2.33 -0.31 5.12 0.08 -1.26 0.02 117.98 124.42 1a9x s PHE 362 Ca -0.00 -0.68 0.17 0.00 0.12 0.00 0.00 56.93 56.53 1a9x s PHE 362 Cb -0.13 -1.92 0.45 0.00 -0.57 0.00 0.00 43.02 40.84 1a9x s PHE 362 CO 0.02 0.05 1.37 0.09 -0.10 0.00 0.00 175.22 176.64 1a9x n ASN 363 N -1.35 -0.31 0.27 1.36 5.03 -1.26 -4.83 115.26 114.16 1a9x n ASN 363 Ca -0.03 -2.17 0.17 0.00 0.87 0.00 0.00 54.58 53.42 1a9x n ASN 363 Cb 0.65 0.25 0.93 0.00 -1.02 0.00 0.00 39.78 40.59 1a9x n ASN 363 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1a9x h PHE 364 N 1.69 0.00 0.00 3.10 0.04 -1.93 -1.32 116.94 118.51 1a9x h PHE 364 Ca -0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.45 1a9x h PHE 364 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1a9x h PHE 364 CO 0.16 0.00 0.00 1.05 -0.60 0.00 0.00 178.31 178.92 1a9x h GLU 365 N 0.00 0.00 -0.01 1.51 9.09 -1.97 -2.34 114.58 120.86 1a9x h GLU 365 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1a9x h GLU 365 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 1a9x h GLU 365 CO 0.00 0.00 -0.21 1.63 0.05 0.00 0.00 179.01 180.48 1a9x n LYS 366 N -2.53 0.88 -3.26 1.06 5.02 -0.50 -4.44 118.16 114.40 1a9x n LYS 366 Ca 0.02 -0.49 -0.25 0.00 -2.02 0.00 0.00 58.31 55.57 1a9x n LYS 366 Cb 0.29 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.75 1a9x n LYS 366 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1a9x n PHE 367 N -0.63 1.80 0.00 2.13 3.72 -0.88 -4.99 117.46 118.61 1a9x n PHE 367 Ca 0.13 -3.88 0.00 0.00 -0.05 0.00 0.00 57.45 53.65 1a9x n PHE 367 Cb 0.34 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1a9x n PHE 367 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a9x n ALA 368 N 0.89 0.00 0.00 4.37 0.00 -1.26 -1.09 120.51 123.43 1a9x n ALA 368 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1a9x n ALA 368 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1a9x n ALA 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 369 N -0.14 0.00 3.82 0.00 0.00 -1.26 -4.77 105.19 102.84 1a9x n GLY 369 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1a9x n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 370 N -1.97 3.01 -0.17 4.61 0.00 -0.25 -4.43 121.76 122.56 1a9x s ALA 370 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.04 1a9x s ALA 370 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1a9x s ALA 370 CO 0.00 -0.06 1.28 1.21 0.00 0.00 0.00 175.76 178.20 1a9x s ASN 371 N -2.39 6.91 -0.25 0.00 3.84 -1.26 -4.89 114.94 116.89 1a9x s ASN 371 Ca 0.62 1.67 0.13 0.00 0.21 0.00 0.00 52.86 55.49 1a9x s ASN 371 Cb -0.11 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 38.76 1a9x s ASN 371 CO 0.19 -0.80 1.66 -0.90 -2.79 0.00 0.00 177.10 174.47 1a9x n ASP 372 N 6.73 4.73 -4.89 -4.21 5.68 -1.26 -4.95 116.55 118.38 1a9x n ASP 372 Ca 0.14 -3.11 -0.32 0.00 -0.50 0.00 0.00 54.79 51.01 1a9x n ASP 372 Cb 0.45 -0.66 -0.05 0.00 -1.14 0.00 0.00 41.12 39.72 1a9x n ASP 372 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1a9x s ARG 373 N -2.90 3.67 0.07 0.11 1.81 -1.26 -4.16 118.95 116.29 1a9x s ARG 373 Ca 0.51 0.02 -0.25 0.00 -1.72 0.00 0.00 55.73 54.28 1a9x s ARG 373 Cb 0.40 -2.78 -0.06 0.00 -0.45 0.00 0.00 34.95 32.06 1a9x s ARG 373 CO 0.12 0.42 0.77 -0.51 -0.68 0.00 0.00 175.30 175.42 1a9x s LEU 374 N -2.73 4.48 0.00 2.53 1.43 -0.48 -4.99 118.68 118.93 1a9x s LEU 374 Ca 0.43 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1a9x s LEU 374 Cb -0.12 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1a9x s LEU 374 CO 0.24 0.05 0.00 1.07 0.23 0.00 0.00 176.35 177.94 1a9x n THR 375 N 2.57 0.00 0.44 5.49 5.66 -1.26 -4.86 114.28 122.32 1a9x n THR 375 Ca -0.03 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.10 1a9x n THR 375 Cb 0.50 0.00 0.38 0.00 -1.55 0.00 0.00 70.33 69.66 1a9x n THR 375 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1a9x h THR 376 N 0.00 0.00 -3.67 1.09 1.35 -1.91 0.78 112.91 110.55 1a9x h THR 376 Ca 0.00 -0.59 -0.62 0.00 -0.55 0.00 0.00 66.41 64.65 1a9x h THR 376 Cb 0.00 1.55 -0.14 0.00 -1.73 0.00 0.00 68.15 67.83 1a9x h THR 376 CO 0.00 0.00 -0.26 -1.58 -0.25 0.00 0.00 175.52 173.43 1a9x s GLN 377 N -3.23 4.05 0.57 4.72 0.74 -1.26 -4.01 119.66 121.24 1a9x s GLN 377 Ca 0.08 0.03 -0.19 0.00 0.05 0.00 0.00 55.36 55.33 1a9x s GLN 377 Cb 0.09 -3.62 -0.07 0.00 1.10 0.00 0.00 33.01 30.51 1a9x s GLN 377 CO 0.58 -0.20 0.82 -1.33 -0.55 0.00 0.00 175.29 174.61 1a9x n MET 378 N 5.08 0.81 0.00 1.67 2.81 -0.55 -4.90 117.12 122.03 1a9x n MET 378 Ca -0.09 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 1a9x n MET 378 Cb 0.51 -1.99 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 1a9x n MET 378 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a9x n LYS 379 N -0.56 0.77 -2.23 0.03 5.02 -1.26 -4.92 118.16 115.01 1a9x n LYS 379 Ca 0.13 -0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 56.06 1a9x n LYS 379 Cb 0.46 -0.20 -0.01 0.00 -0.02 0.00 0.00 35.03 35.27 1a9x n LYS 379 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1a9x s SER 380 N -0.12 5.99 0.00 4.39 1.04 -1.26 -4.71 113.70 119.03 1a9x s SER 380 Ca 0.00 1.86 0.15 0.00 0.48 0.00 0.00 55.95 58.45 1a9x s SER 380 Cb 0.00 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.60 1a9x s SER 380 CO 0.00 -1.03 0.85 1.33 0.98 0.00 0.00 173.24 175.38 1a9x n VAL 381 N -1.63 0.00 -3.42 5.02 0.24 0.10 -4.43 118.33 114.21 1a9x n VAL 381 Ca 0.09 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1a9x n VAL 381 Cb 0.53 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 1a9x n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 382 N 1.06 1.09 3.51 7.63 0.00 -1.03 -4.38 105.19 113.07 1a9x n GLY 382 Ca 0.07 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 1a9x n GLY 382 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a9x s GLU 383 N -1.33 0.99 0.23 1.61 -1.05 -1.26 -0.58 118.70 117.31 1a9x s GLU 383 Ca 0.00 0.05 0.10 0.00 -0.15 0.00 0.00 54.97 54.97 1a9x s GLU 383 Cb 0.00 0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 34.11 1a9x s GLU 383 CO 0.00 -0.35 -0.19 0.54 0.95 0.00 0.00 175.26 176.21 1a9x s VAL 384 N -1.83 2.18 0.07 1.83 0.11 -0.43 -4.16 120.40 118.16 1a9x s VAL 384 Ca -0.06 -2.24 0.04 0.00 -2.93 0.00 0.00 61.98 56.79 1a9x s VAL 384 Cb -0.00 -2.14 -0.03 0.00 -1.53 0.00 0.00 36.38 32.67 1a9x s VAL 384 CO 0.02 -0.40 -0.11 -0.32 -3.33 0.00 0.00 175.10 170.97 1a9x s MET 385 N -3.33 0.71 0.01 1.54 0.00 -0.29 -1.76 119.30 116.19 1a9x s MET 385 Ca 0.25 -0.92 -0.02 0.00 0.00 0.00 0.00 55.69 55.00 1a9x s MET 385 Cb -0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 34.83 34.22 1a9x s MET 385 CO 0.11 0.11 0.01 0.00 0.00 0.00 0.00 175.02 175.25 1a9x s ALA 386 N -1.57 0.01 -0.13 4.11 0.00 0.73 -4.82 121.76 120.09 1a9x s ALA 386 Ca -0.04 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1a9x s ALA 386 Cb -0.08 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1a9x s ALA 386 CO 0.01 -0.15 -0.21 0.42 0.00 0.00 0.00 175.76 175.83 1a9x s ILE 387 N -1.28 1.95 0.05 0.00 1.01 -1.26 -0.88 121.20 120.79 1a9x s ILE 387 Ca -0.14 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 1a9x s ILE 387 Cb -0.08 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1a9x s ILE 387 CO -0.00 0.53 -0.04 -0.83 0.00 0.00 0.00 174.94 174.60 1a9x s GLY 388 N 0.77 0.49 0.52 6.18 0.00 -0.40 -4.69 107.32 110.19 1a9x s GLY 388 Ca -0.09 -1.15 0.31 0.00 0.00 0.00 0.00 44.72 43.79 1a9x s GLY 388 CO -0.00 -1.25 1.96 3.21 0.00 0.00 0.00 173.10 177.02 1a9x h ARG 389 N 3.33 0.00 -5.14 2.90 2.47 -1.87 0.15 114.38 116.23 1a9x h ARG 389 Ca -0.34 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 57.99 1a9x h ARG 389 Cb 1.15 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.33 1a9x h ARG 389 CO 0.62 0.07 -0.66 0.95 0.56 0.00 0.00 179.97 181.52 1a9x s THR 390 N -3.73 1.11 0.23 2.04 -4.23 -1.26 -4.43 115.64 105.38 1a9x s THR 390 Ca 0.00 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 58.41 1a9x s THR 390 Cb 0.10 -2.35 0.16 0.00 1.34 0.00 0.00 72.50 71.75 1a9x s THR 390 CO 0.57 -0.33 1.79 -0.61 -0.54 0.00 0.00 174.62 175.50 1a9x h GLN 391 N 2.45 1.13 -0.24 3.99 5.75 -1.91 0.16 115.11 126.45 1a9x h GLN 391 Ca -0.38 -0.21 -0.10 0.00 -0.15 0.00 0.00 58.65 57.81 1a9x h GLN 391 Cb 1.22 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.59 1a9x h GLN 391 CO 0.65 0.92 -0.24 1.96 -2.65 0.00 0.00 178.83 179.47 1a9x h GLN 392 N 1.10 0.58 -0.46 1.69 4.20 -1.94 -0.72 115.11 119.56 1a9x h GLN 392 Ca 0.25 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1a9x h GLN 392 Cb 0.23 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1a9x h GLN 392 CO -0.02 0.90 0.27 1.49 -0.67 0.00 0.00 178.83 180.80 1a9x h GLU 393 N 0.28 0.62 0.06 1.46 4.81 -1.56 -2.04 114.58 118.20 1a9x h GLU 393 Ca 0.04 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1a9x h GLU 393 Cb 0.80 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1a9x h GLU 393 CO 0.06 0.46 -0.18 1.03 -0.73 0.00 0.00 179.01 179.65 1a9x h SER 394 N 0.61 -0.52 -0.03 1.04 0.87 -0.61 -2.00 113.55 112.90 1a9x h SER 394 Ca 0.16 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1a9x h SER 394 Cb 0.00 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1a9x h SER 394 CO -0.03 -0.26 -0.11 0.25 -0.53 0.00 0.00 176.83 176.15 1a9x h LEU 395 N -0.33 -0.33 -0.95 2.23 5.85 -1.07 -0.30 115.31 120.41 1a9x h LEU 395 Ca 0.04 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1a9x h LEU 395 Cb 0.37 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1a9x h LEU 395 CO -0.13 -0.16 0.10 1.56 -0.34 0.00 0.00 178.44 179.47 1a9x h GLN 396 N -0.18 0.86 -0.55 1.25 4.20 -1.35 0.37 115.11 119.71 1a9x h GLN 396 Ca 0.05 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 1a9x h GLN 396 Cb 0.25 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1a9x h GLN 396 CO -0.14 0.80 -0.04 0.87 -0.67 0.00 0.00 178.83 179.65 1a9x h LYS 397 N 0.82 0.98 -0.65 1.46 1.57 -1.04 -2.23 116.57 117.47 1a9x h LYS 397 Ca 0.17 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1a9x h LYS 397 Cb 0.35 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1a9x h LYS 397 CO 0.01 0.99 0.21 0.00 -0.57 0.00 0.00 179.45 180.08 1a9x h ALA 398 N 1.05 0.85 -0.36 3.86 0.00 -0.17 -2.21 119.26 122.29 1a9x h ALA 398 Ca 0.15 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1a9x h ALA 398 Cb 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1a9x h ALA 398 CO 0.03 0.52 0.24 -0.07 0.00 0.00 0.00 179.25 179.98 1a9x h LEU 399 N 0.94 0.35 0.00 0.00 3.38 0.22 -2.03 115.31 118.18 1a9x h LEU 399 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1a9x h LEU 399 Cb 0.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1a9x h LEU 399 CO -0.01 0.25 -0.51 -2.11 0.09 0.00 0.00 178.44 176.14 1a9x n ARG 400 N -4.49 0.20 0.06 1.13 1.85 -0.89 -3.64 116.66 110.89 1a9x n ARG 400 Ca 0.03 0.07 0.12 0.00 -1.00 0.00 0.00 57.85 57.07 1a9x n ARG 400 Cb 0.13 -1.64 0.15 0.00 -1.05 0.00 0.00 32.46 30.05 1a9x n ARG 400 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1a9x h GLY 401 N 4.66 0.00 2.00 2.89 0.00 -0.77 -3.38 103.07 108.47 1a9x h GLY 401 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a9x h GLY 401 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1a9x n LEU 402 N -2.15 0.03 -3.31 3.11 7.94 -0.98 -4.42 117.00 117.23 1a9x n LEU 402 Ca 0.03 0.51 -0.24 0.00 -1.11 0.00 0.00 56.01 55.20 1a9x n LEU 402 Cb 0.45 -0.51 0.02 0.00 0.53 0.00 0.00 43.42 43.91 1a9x n LEU 402 CO 0.37 -0.35 0.02 -0.62 -1.11 0.00 0.00 177.39 175.69 1a9x n GLU 403 N -1.54 -4.66 -0.27 1.96 -0.58 -1.26 -4.80 120.64 109.48 1a9x n GLU 403 Ca 0.02 0.70 0.07 0.00 -0.42 0.00 0.00 57.16 57.54 1a9x n GLU 403 Cb 0.12 -5.53 0.21 0.00 -0.57 0.00 0.00 31.44 25.66 1a9x n GLU 403 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1a9x n VAL 404 N -4.36 1.25 -0.81 2.62 0.24 -1.26 -4.95 118.33 111.06 1a9x n VAL 404 Ca -0.05 -1.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1a9x n VAL 404 Cb 0.57 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 1a9x n VAL 404 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 405 N 0.56 0.89 3.80 7.63 0.00 -1.26 -5.05 105.19 111.77 1a9x n GLY 405 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1a9x n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 406 N -3.57 2.96 -1.55 4.61 0.00 -1.26 -4.93 121.76 118.02 1a9x s ALA 406 Ca 0.00 0.56 0.15 0.00 0.00 0.00 0.00 51.96 52.67 1a9x s ALA 406 Cb 0.00 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1a9x s ALA 406 CO 0.00 -0.15 0.87 0.25 0.00 0.00 0.00 175.76 176.73 1a9x n THR 407 N -0.70 0.00 0.00 0.00 -2.24 -1.26 -4.53 114.28 105.56 1a9x n THR 407 Ca 0.08 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1a9x n THR 407 Cb 0.52 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 1a9x n THR 407 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 408 N 1.02 -0.04 2.24 3.38 0.00 -1.26 -4.37 105.19 106.15 1a9x n GLY 408 Ca 0.07 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1a9x n GLY 408 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a9x n PHE 409 N 0.00 1.42 -1.68 1.61 3.72 -1.26 -4.92 117.46 116.35 1a9x n PHE 409 Ca 0.00 -2.31 -0.42 0.00 -0.05 0.00 0.00 57.45 54.67 1a9x n PHE 409 Cb 0.00 -1.93 0.00 0.00 -0.94 0.00 0.00 39.48 36.61 1a9x n PHE 409 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1a9x n ASP 410 N 2.58 2.39 -4.78 4.37 9.92 -1.26 -4.92 116.55 124.86 1a9x n ASP 410 Ca 0.59 1.15 -0.35 0.00 -0.53 0.00 0.00 54.79 55.64 1a9x n ASP 410 Cb 0.54 -1.46 -0.01 0.00 -0.64 0.00 0.00 41.12 39.54 1a9x n ASP 410 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1a9x s PRO 411 N -2.00 3.62 -0.22 -0.24 0.04 -1.26 -4.90 135.00 130.03 1a9x s PRO 411 Ca 0.59 1.60 0.04 0.00 0.04 0.00 0.00 61.00 63.27 1a9x s PRO 411 Cb -0.55 -2.17 -0.16 0.00 0.04 0.00 0.00 34.50 31.65 1a9x s PRO 411 CO 0.60 -0.63 -0.16 1.63 0.04 0.00 0.00 177.00 178.48 1a9x n LYS 412 N -0.91 0.66 -4.45 4.56 4.76 -1.26 -5.02 118.16 116.50 1a9x n LYS 412 Ca 0.09 0.11 -0.25 0.00 -2.87 0.00 0.00 58.31 55.39 1a9x n LYS 412 Cb 0.50 -1.45 -0.10 0.00 -1.84 0.00 0.00 35.03 32.14 1a9x n LYS 412 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1a9x s VAL 413 N -2.44 2.51 0.38 -0.18 -7.23 -1.26 -5.13 120.40 107.05 1a9x s VAL 413 Ca -0.27 -2.30 -0.19 0.00 -1.81 0.00 0.00 61.98 57.41 1a9x s VAL 413 Cb 0.07 -2.29 -0.10 0.00 0.56 0.00 0.00 36.38 34.62 1a9x s VAL 413 CO 0.55 -0.34 0.87 -0.94 -0.31 0.00 0.00 175.10 174.94 1a9x s SER 414 N -3.34 6.91 0.33 4.85 1.04 -1.26 -4.95 113.70 117.28 1a9x s SER 414 Ca 0.28 1.56 0.02 0.00 0.48 0.00 0.00 55.95 58.29 1a9x s SER 414 Cb -0.06 -2.48 0.57 0.00 0.10 0.00 0.00 66.02 64.14 1a9x s SER 414 CO 0.14 -0.28 1.91 -0.07 0.98 0.00 0.00 173.24 175.92 1a9x h LEU 415 N 2.14 0.64 -1.33 2.42 3.38 -2.00 -1.69 115.31 118.87 1a9x h LEU 415 Ca -0.48 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1a9x h LEU 415 Cb 1.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1a9x h LEU 415 CO 0.63 0.60 0.00 -0.90 0.09 0.00 0.00 178.44 178.86 1a9x n ASP 416 N -4.33 1.92 -4.66 -0.43 5.68 -1.26 -4.87 116.55 108.60 1a9x n ASP 416 Ca 0.04 -2.09 -0.41 0.00 -0.50 0.00 0.00 54.79 51.83 1a9x n ASP 416 Cb 0.18 -0.29 -0.05 0.00 -1.14 0.00 0.00 41.12 39.81 1a9x n ASP 416 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1a9x s ASP 417 N -0.83 6.81 0.59 -1.12 -1.08 -0.64 -4.91 116.67 115.48 1a9x s ASP 417 Ca 0.20 0.99 0.36 0.00 -0.52 0.00 0.00 52.55 53.58 1a9x s ASP 417 Cb 0.12 -2.40 1.77 0.00 -1.46 0.00 0.00 42.92 40.95 1a9x s ASP 417 CO 0.12 -0.34 2.15 1.55 0.52 0.00 0.00 175.17 179.16 1a9x h PRO 418 N 7.44 0.00 -0.02 4.34 0.13 -1.89 -2.34 132.00 139.66 1a9x h PRO 418 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1a9x h PRO 418 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1a9x h PRO 418 CO 0.81 0.03 -0.11 0.39 -0.23 0.00 0.00 178.00 178.89 1a9x n GLU 419 N -3.23 1.34 -0.31 0.86 1.02 -1.26 -4.66 120.64 114.40 1a9x n GLU 419 Ca -0.01 -1.15 0.13 0.00 -0.02 0.00 0.00 57.16 56.11 1a9x n GLU 419 Cb 0.21 -1.26 0.31 0.00 -0.02 0.00 0.00 31.44 30.68 1a9x n GLU 419 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x h ALA 420 N 2.74 1.46 0.00 0.62 0.00 -1.74 -0.42 119.26 121.93 1a9x h ALA 420 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1a9x h ALA 420 Cb 0.57 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a9x h ALA 420 CO 0.00 -0.32 -0.14 -0.07 0.00 0.00 0.00 179.25 178.72 1a9x h LEU 421 N 0.44 0.00 0.01 0.00 3.38 -1.83 0.68 115.31 118.00 1a9x h LEU 421 Ca 0.56 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.37 1a9x h LEU 421 Cb 1.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.81 1a9x h LEU 421 CO -0.51 0.14 -0.65 0.74 0.09 0.00 0.00 178.44 178.25 1a9x h THR 422 N 0.00 1.43 -0.53 0.22 2.02 -1.43 -0.96 112.91 113.66 1a9x h THR 422 Ca -0.00 -2.14 -0.08 0.00 0.77 0.00 0.00 66.41 64.96 1a9x h THR 422 Cb 0.31 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 1a9x h THR 422 CO 0.02 0.62 0.02 0.11 0.37 0.00 0.00 175.52 176.66 1a9x h LYS 423 N -0.11 0.89 -0.24 6.66 1.57 -0.57 -1.80 116.57 122.98 1a9x h LYS 423 Ca -0.09 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1a9x h LYS 423 Cb 1.37 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1a9x h LYS 423 CO 0.13 0.88 0.11 0.82 -0.57 0.00 0.00 179.45 180.82 1a9x h ILE 424 N 0.83 1.15 -0.90 1.86 2.04 0.33 -2.33 117.51 120.49 1a9x h ILE 424 Ca 0.16 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1a9x h ILE 424 Cb 0.47 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1a9x h ILE 424 CO 0.02 0.15 0.57 -0.09 0.00 0.00 0.00 178.15 178.79 1a9x h ARG 425 N 0.25 1.00 -0.28 2.37 2.43 -0.82 -1.91 114.38 117.42 1a9x h ARG 425 Ca 0.08 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1a9x h ARG 425 Cb 0.13 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1a9x h ARG 425 CO -0.01 0.66 0.04 -0.09 -1.51 0.00 0.00 179.97 179.06 1a9x h ARG 426 N 1.03 0.46 0.00 0.20 1.12 -1.09 -1.07 114.38 115.03 1a9x h ARG 426 Ca 0.39 -0.12 -0.01 0.00 -1.11 0.00 0.00 59.98 59.13 1a9x h ARG 426 Cb 0.17 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.08 1a9x h ARG 426 CO -0.17 0.57 -0.04 0.93 -3.11 0.00 0.00 179.97 178.15 1a9x h GLU 427 N 0.27 0.00 0.09 0.20 4.39 -0.98 -0.56 114.58 118.00 1a9x h GLU 427 Ca 0.08 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.55 1a9x h GLU 427 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1a9x h GLU 427 CO 0.01 0.04 -1.21 -0.07 -1.16 0.00 0.00 179.01 176.61 1a9x h LEU 428 N 0.00 0.30 -0.33 1.33 4.07 -1.07 -3.28 115.31 116.33 1a9x h LEU 428 Ca -0.00 -0.83 -0.03 0.00 0.08 0.00 0.00 57.88 57.11 1a9x h LEU 428 Cb 0.15 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1a9x h LEU 428 CO 0.01 1.53 0.11 0.50 -1.08 0.00 0.00 178.44 179.50 1a9x h LYS 429 N -0.47 0.51 -3.24 1.13 3.64 -1.03 -3.36 116.57 113.76 1a9x h LYS 429 Ca -0.27 -0.11 -0.63 0.00 -1.27 0.00 0.00 60.65 58.37 1a9x h LYS 429 Cb 1.62 -0.08 -0.41 0.00 -0.41 0.00 0.00 32.23 32.95 1a9x h LYS 429 CO 0.02 0.54 -0.62 -0.51 -2.27 0.00 0.00 179.45 176.61 1a9x s ASP 430 N -5.84 4.41 0.08 4.20 1.01 -0.23 -4.87 116.67 115.42 1a9x s ASP 430 Ca -0.13 -3.29 -0.37 0.00 0.71 0.00 0.00 52.55 49.48 1a9x s ASP 430 Cb 0.09 -1.58 -0.18 0.00 1.01 0.00 0.00 42.92 42.26 1a9x s ASP 430 CO 0.74 -0.18 1.10 0.00 0.21 0.00 0.00 175.17 177.04 1a9x n ALA 431 N 2.73 -2.36 -4.10 5.23 0.00 -1.24 -4.58 120.51 116.19 1a9x n ALA 431 Ca 0.11 0.54 -0.09 0.00 0.00 0.00 0.00 53.44 54.00 1a9x n ALA 431 Cb 0.33 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 1a9x n ALA 431 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 432 N 1.91 3.99 0.27 0.00 0.00 -1.26 -1.38 105.19 108.72 1a9x n GLY 432 Ca 0.18 -2.19 0.16 0.00 0.00 0.00 0.00 46.02 44.17 1a9x n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x h ALA 433 N 1.10 1.01 -0.01 4.61 0.00 -1.96 -3.09 119.26 120.92 1a9x h ALA 433 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1a9x h ALA 433 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1a9x h ALA 433 CO 0.18 0.06 -0.06 -0.25 0.00 0.00 0.00 179.25 179.18 1a9x n ASP 434 N -3.17 1.42 -0.34 0.00 8.00 -1.26 -4.66 116.55 116.55 1a9x n ASP 434 Ca 0.00 -1.37 -0.00 0.00 0.71 0.00 0.00 54.79 54.13 1a9x n ASP 434 Cb 0.33 0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.50 1a9x n ASP 434 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1a9x n ARG 435 N 0.01 -0.20 -0.26 -1.24 0.63 -1.17 -1.01 116.66 113.42 1a9x n ARG 435 Ca 0.17 1.36 0.06 0.00 -0.92 0.00 0.00 57.85 58.52 1a9x n ARG 435 Cb 0.36 -2.02 0.20 0.00 0.45 0.00 0.00 32.46 31.45 1a9x n ARG 435 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1a9x h ILE 436 N 0.00 0.59 -0.57 5.15 6.09 -1.88 0.01 117.51 126.90 1a9x h ILE 436 Ca 0.32 -0.13 -0.09 0.00 -1.37 0.00 0.00 64.86 63.59 1a9x h ILE 436 Cb 0.54 0.18 -0.02 0.00 0.47 0.00 0.00 36.82 37.98 1a9x h ILE 436 CO -0.88 0.07 0.02 -0.50 -3.07 0.00 0.00 178.15 173.79 1a9x h TRP 437 N 0.38 1.08 0.00 2.19 6.55 -1.42 -2.32 115.95 122.41 1a9x h TRP 437 Ca 0.43 -0.18 -0.03 0.00 0.95 0.00 0.00 58.89 60.06 1a9x h TRP 437 Cb 0.70 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 28.71 1a9x h TRP 437 CO -0.20 0.97 -0.13 1.88 -1.05 0.00 0.00 178.44 179.91 1a9x h TYR 438 N 0.89 0.00 -0.32 0.49 0.05 -0.93 -1.62 116.97 115.52 1a9x h TYR 438 Ca 0.16 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.89 1a9x h TYR 438 Cb 0.52 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1a9x h TYR 438 CO 0.04 0.13 -0.00 0.82 -1.05 0.00 0.00 178.16 178.09 1a9x h ILE 439 N 0.00 1.26 -0.57 -2.88 2.04 -0.47 -0.58 117.51 116.31 1a9x h ILE 439 Ca -0.00 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.79 1a9x h ILE 439 Cb 0.32 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1a9x h ILE 439 CO 0.02 0.32 -0.04 0.00 0.00 0.00 0.00 178.15 178.44 1a9x h ALA 440 N 0.85 0.84 -0.62 1.87 0.00 -1.36 -2.13 119.26 118.71 1a9x h ALA 440 Ca 0.09 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1a9x h ALA 440 Cb 0.45 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1a9x h ALA 440 CO 0.02 0.66 0.41 -0.44 0.00 0.00 0.00 179.25 179.90 1a9x h ASP 441 N 0.93 0.60 -0.50 0.00 3.32 -1.00 -1.28 116.42 118.50 1a9x h ASP 441 Ca 0.16 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1a9x h ASP 441 Cb 0.59 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1a9x h ASP 441 CO 0.04 0.40 0.14 0.00 -1.72 0.00 0.00 179.24 178.10 1a9x h ALA 442 N 1.65 0.66 -0.18 3.45 0.00 -0.46 -0.74 119.26 123.64 1a9x h ALA 442 Ca 0.26 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1a9x h ALA 442 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1a9x h ALA 442 CO -0.07 0.33 -0.32 0.74 0.00 0.00 0.00 179.25 179.93 1a9x h PHE 443 N 0.68 0.41 0.00 0.00 0.04 -0.87 -1.36 116.94 115.84 1a9x h PHE 443 Ca 0.16 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 1a9x h PHE 443 Cb 0.30 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 1a9x h PHE 443 CO 0.02 0.65 -0.15 0.00 -0.60 0.00 0.00 178.31 178.23 1a9x h ARG 444 N 0.32 0.00 -0.01 1.51 3.08 -0.83 -3.03 114.38 115.42 1a9x h ARG 444 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1a9x h ARG 444 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1a9x h ARG 444 CO 0.05 0.15 -0.09 0.00 -1.07 0.00 0.00 179.97 179.01 1a9x n ALA 445 N -2.16 2.74 0.00 0.04 0.00 -0.32 -4.96 120.51 115.85 1a9x n ALA 445 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1a9x n ALA 445 Cb 0.47 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1a9x n ALA 445 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 446 N 1.24 0.64 3.80 0.00 0.00 -0.93 -5.04 105.19 104.91 1a9x n GLY 446 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1a9x n GLY 446 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 447 N 0.00 3.74 0.68 0.99 1.43 -0.56 -5.00 118.68 119.96 1a9x s LEU 447 Ca 0.00 1.88 -0.05 0.00 -1.03 0.00 0.00 54.13 54.93 1a9x s LEU 447 Cb 0.00 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.73 1a9x s LEU 447 CO 0.00 -0.88 0.97 -0.94 0.23 0.00 0.00 176.35 175.73 1a9x s SER 448 N -2.25 4.83 0.18 2.29 1.04 -1.26 -4.48 113.70 114.05 1a9x s SER 448 Ca 0.66 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 57.26 1a9x s SER 448 Cb -0.16 -0.95 0.10 0.00 0.10 0.00 0.00 66.02 65.11 1a9x s SER 448 CO 0.25 -1.55 1.77 0.58 0.98 0.00 0.00 173.24 175.27 1a9x h VAL 449 N -0.48 1.22 -0.53 5.02 2.07 -1.95 -0.58 116.25 121.02 1a9x h VAL 449 Ca -0.43 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 1a9x h VAL 449 Cb 1.31 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1a9x h VAL 449 CO 0.56 0.26 0.07 0.44 0.02 0.00 0.00 177.57 178.92 1a9x h ASP 450 N 0.89 0.80 -0.42 0.57 5.19 -1.99 -1.42 116.42 120.04 1a9x h ASP 450 Ca 0.22 -0.17 -0.13 0.00 -0.62 0.00 0.00 57.03 56.33 1a9x h ASP 450 Cb 0.12 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1a9x h ASP 450 CO -0.03 0.83 -0.21 1.23 -3.12 0.00 0.00 179.24 177.94 1a9x h GLY 451 N 0.98 1.00 0.95 2.75 0.00 -1.57 -2.50 103.07 104.69 1a9x h GLY 451 Ca 0.17 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1a9x h GLY 451 CO 0.01 0.79 0.10 -2.08 0.00 0.00 0.00 176.54 175.36 1a9x h VAL 452 N 0.80 1.09 -0.61 4.60 2.07 -0.80 -2.47 116.25 120.93 1a9x h VAL 452 Ca 0.11 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 67.52 1a9x h VAL 452 Cb 0.77 0.93 -0.11 0.00 -1.52 0.00 0.00 31.29 31.36 1a9x h VAL 452 CO 0.06 0.09 -0.04 0.15 0.02 0.00 0.00 177.57 177.85 1a9x h PHE 453 N 0.19 -0.12 -0.74 1.57 3.57 -1.21 0.16 116.94 120.38 1a9x h PHE 453 Ca 0.06 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1a9x h PHE 453 Cb 0.05 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1a9x h PHE 453 CO -0.04 -0.19 0.36 -0.91 -2.23 0.00 0.00 178.31 175.30 1a9x h ASN 454 N 0.08 0.94 0.29 0.41 2.35 -1.27 1.06 115.58 119.44 1a9x h ASN 454 Ca 0.31 -0.10 -0.29 0.00 -0.55 0.00 0.00 56.30 55.67 1a9x h ASN 454 Cb 0.50 -0.24 0.02 0.00 0.05 0.00 0.00 38.32 38.65 1a9x h ASN 454 CO -0.55 0.79 -1.23 -0.07 -1.65 0.00 0.00 177.43 174.72 1a9x h LEU 455 N 1.04 0.72 0.00 1.61 3.38 -0.40 -3.40 115.31 118.27 1a9x h LEU 455 Ca 0.26 -0.69 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1a9x h LEU 455 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1a9x h LEU 455 CO -0.03 1.51 -1.99 0.35 0.09 0.00 0.00 178.44 178.36 1a9x n THR 456 N -3.72 0.29 -0.99 0.22 -2.24 0.33 -4.25 114.28 103.92 1a9x n THR 456 Ca -0.12 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1a9x n THR 456 Cb 0.99 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1a9x n THR 456 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a9x n ASN 457 N -2.30 -4.83 -4.72 3.42 4.13 0.36 -4.68 115.26 106.64 1a9x n ASN 457 Ca -0.10 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.75 1a9x n ASN 457 Cb 0.65 -2.40 -0.04 0.00 -1.54 0.00 0.00 39.78 36.45 1a9x n ASN 457 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a9x s ILE 458 N -1.37 4.78 0.06 2.41 1.01 -1.26 -4.56 121.20 122.27 1a9x s ILE 458 Ca 0.00 1.91 -0.38 0.00 0.00 0.00 0.00 60.65 62.19 1a9x s ILE 458 Cb 0.00 -4.25 -0.17 0.00 0.01 0.00 0.00 42.46 38.04 1a9x s ILE 458 CO 0.00 0.24 1.28 -0.67 0.00 0.00 0.00 174.94 175.80 1a9x n ASP 459 N 3.45 1.28 -0.00 3.58 -0.08 -1.26 -4.72 116.55 118.79 1a9x n ASP 459 Ca 0.03 1.13 0.21 0.00 -1.51 0.00 0.00 54.79 54.65 1a9x n ASP 459 Cb 0.50 -1.13 0.71 0.00 2.34 0.00 0.00 41.12 43.55 1a9x n ASP 459 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1a9x h ARG 460 N 4.23 0.00 -0.44 -0.67 3.08 -1.96 -1.07 114.38 117.56 1a9x h ARG 460 Ca -0.48 0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.69 1a9x h ARG 460 Cb 1.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.39 1a9x h ARG 460 CO 0.75 0.00 0.37 2.35 -1.07 0.00 0.00 179.97 182.37 1a9x h TRP 461 N 0.00 0.00 0.10 3.04 7.01 -2.01 -1.16 115.95 122.93 1a9x h TRP 461 Ca 0.26 0.00 -0.36 0.00 2.11 0.00 0.00 58.89 60.90 1a9x h TRP 461 Cb 1.09 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.12 1a9x h TRP 461 CO 0.00 0.00 -2.02 1.19 -2.79 0.00 0.00 178.44 174.82 1a9x n PHE 462 N -4.10 1.06 -0.25 2.65 3.72 -0.43 -4.14 117.46 115.98 1a9x n PHE 462 Ca 0.08 0.24 0.02 0.00 -0.05 0.00 0.00 57.45 57.73 1a9x n PHE 462 Cb 0.56 -1.14 0.24 0.00 -0.94 0.00 0.00 39.48 38.21 1a9x n PHE 462 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1a9x h LEU 463 N -0.03 0.89 -1.32 4.37 3.38 -1.07 -1.38 115.31 120.15 1a9x h LEU 463 Ca -0.44 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1a9x h LEU 463 Cb 1.96 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 1a9x h LEU 463 CO 0.04 0.62 -0.25 -0.37 0.09 0.00 0.00 178.44 178.57 1a9x h VAL 464 N 1.04 1.21 -0.09 1.22 -1.51 -1.44 -0.20 116.25 116.48 1a9x h VAL 464 Ca 0.32 -1.00 -0.17 0.00 -1.23 0.00 0.00 66.70 64.61 1a9x h VAL 464 Cb -0.02 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 1a9x h VAL 464 CO -0.09 0.30 -0.69 1.56 -1.23 0.00 0.00 177.57 177.43 1a9x h GLN 465 N 0.13 0.39 -0.15 5.19 4.20 -1.42 -0.86 115.11 122.59 1a9x h GLN 465 Ca 0.02 -0.30 -0.14 0.00 0.06 0.00 0.00 58.65 58.29 1a9x h GLN 465 Cb 0.51 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1a9x h GLN 465 CO 0.04 0.93 -0.46 0.82 -0.67 0.00 0.00 178.83 179.49 1a9x h ILE 466 N 0.27 1.34 -0.57 2.54 2.04 -1.21 -2.66 117.51 119.26 1a9x h ILE 466 Ca -0.02 -1.73 0.08 0.00 1.00 0.00 0.00 64.86 64.18 1a9x h ILE 466 Cb 1.25 2.03 -0.06 0.00 -0.74 0.00 0.00 36.82 39.30 1a9x h ILE 466 CO 0.12 0.53 0.24 -0.08 0.00 0.00 0.00 178.15 178.95 1a9x h GLU 467 N 0.21 0.43 -0.51 2.37 4.81 -0.85 -0.18 114.58 120.86 1a9x h GLU 467 Ca -0.02 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1a9x h GLU 467 Cb 1.08 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1a9x h GLU 467 CO 0.10 0.28 0.34 1.49 -0.73 0.00 0.00 179.01 180.49 1a9x h GLU 468 N 0.44 0.53 -0.09 1.92 4.81 -1.17 -0.77 114.58 120.26 1a9x h GLU 468 Ca 0.28 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.30 1a9x h GLU 468 Cb 0.29 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1a9x h GLU 468 CO -0.26 0.35 -0.70 -0.07 -0.73 0.00 0.00 179.01 177.61 1a9x h LEU 469 N 0.55 0.46 0.01 1.64 3.38 -0.83 -2.24 115.31 118.28 1a9x h LEU 469 Ca 0.21 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1a9x h LEU 469 Cb 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1a9x h LEU 469 CO -0.05 1.02 -0.00 0.58 0.09 0.00 0.00 178.44 180.07 1a9x h VAL 470 N 0.27 1.18 -0.73 1.22 2.07 0.27 -1.50 116.25 119.05 1a9x h VAL 470 Ca -0.02 -0.58 0.11 0.00 0.82 0.00 0.00 66.70 67.03 1a9x h VAL 470 Cb 1.26 1.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 1a9x h VAL 470 CO 0.12 0.15 0.34 0.03 0.02 0.00 0.00 177.57 178.23 1a9x h ARG 471 N -0.26 0.53 -0.97 1.57 2.47 -1.19 0.54 114.38 117.07 1a9x h ARG 471 Ca -0.00 -0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.75 1a9x h ARG 471 Cb 0.25 -0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.39 1a9x h ARG 471 CO 0.00 0.35 0.62 -0.07 0.56 0.00 0.00 179.97 181.44 1a9x h LEU 472 N 0.55 1.00 -0.58 3.04 3.38 -1.25 -1.97 115.31 119.47 1a9x h LEU 472 Ca 0.37 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 1a9x h LEU 472 Cb 0.46 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1a9x h LEU 472 CO -0.31 0.65 0.13 -0.33 0.09 0.00 0.00 178.44 178.66 1a9x h GLU 473 N 1.15 0.95 -0.15 1.13 5.08 0.12 -1.56 114.58 121.29 1a9x h GLU 473 Ca 0.41 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1a9x h GLU 473 Cb 0.13 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1a9x h GLU 473 CO -0.16 0.88 0.10 0.93 -1.00 0.00 0.00 179.01 179.76 1a9x h GLU 474 N 0.85 0.16 -0.25 2.33 5.08 -0.38 -1.43 114.58 120.95 1a9x h GLU 474 Ca 0.18 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 1a9x h GLU 474 Cb 0.37 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1a9x h GLU 474 CO 0.01 0.11 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.53 1a9x h LYS 475 N 0.17 0.69 -0.78 2.33 3.64 -0.91 -1.68 116.57 120.02 1a9x h LYS 475 Ca 0.06 -0.41 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 1a9x h LYS 475 Cb 0.03 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1a9x h LYS 475 CO -0.01 1.03 0.34 0.28 -2.27 0.00 0.00 179.45 178.82 1a9x h VAL 476 N 0.40 1.25 -0.62 2.00 2.07 -0.62 0.10 116.25 120.83 1a9x h VAL 476 Ca 0.02 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 1a9x h VAL 476 Cb 0.96 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1a9x h VAL 476 CO 0.09 0.31 0.17 0.00 0.02 0.00 0.00 177.57 178.16 1a9x h ALA 477 N 1.18 1.13 0.30 1.67 0.00 -1.16 0.26 119.26 122.64 1a9x h ALA 477 Ca 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1a9x h ALA 477 Cb 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a9x h ALA 477 CO -0.03 0.59 -0.14 1.49 0.00 0.00 0.00 179.25 181.16 1a9x h GLU 478 N 0.93 -0.39 -0.04 0.00 4.81 -0.64 -3.30 114.58 115.94 1a9x h GLU 478 Ca 0.20 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1a9x h GLU 478 Cb 0.30 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1a9x h GLU 478 CO -0.00 -0.07 -0.34 -0.39 -0.73 0.00 0.00 179.01 177.48 1a9x h VAL 479 N -0.96 1.26 -1.20 0.32 -1.51 -0.82 -3.49 116.25 109.85 1a9x h VAL 479 Ca -0.04 -1.22 0.07 0.00 -1.23 0.00 0.00 66.70 64.27 1a9x h VAL 479 Cb 0.50 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 1a9x h VAL 479 CO 0.07 0.36 -0.09 0.61 -1.23 0.00 0.00 177.57 177.29 1a9x n GLY 480 N -0.50 -1.71 0.32 5.19 0.00 0.92 -3.07 105.19 106.34 1a9x n GLY 480 Ca -0.02 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 44.88 1a9x n GLY 480 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a9x h ILE 481 N -0.23 0.86 -0.23 -0.61 2.10 -1.84 -2.13 117.51 115.44 1a9x h ILE 481 Ca 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.87 1a9x h ILE 481 Cb 0.22 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 1a9x h ILE 481 CO 0.00 0.00 -0.18 0.71 -1.08 0.00 0.00 178.15 177.60 1a9x h THR 482 N 0.00 1.24 -0.01 2.19 1.35 -1.96 -2.44 112.91 113.28 1a9x h THR 482 Ca 0.11 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1a9x h THR 482 Cb 0.45 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1a9x h THR 482 CO -0.00 0.34 -0.06 0.61 -0.25 0.00 0.00 175.52 176.16 1a9x n GLY 483 N -0.58 -0.74 2.41 5.82 0.00 -0.81 -4.50 105.19 106.80 1a9x n GLY 483 Ca -0.00 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1a9x n GLY 483 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a9x n LEU 484 N -0.71 8.32 -4.76 0.99 4.77 -0.92 -4.89 117.00 119.79 1a9x n LEU 484 Ca 0.18 -4.32 -0.30 0.00 -0.03 0.00 0.00 56.01 51.54 1a9x n LEU 484 Cb 0.25 -1.58 0.11 0.00 -2.33 0.00 0.00 43.42 39.87 1a9x n LEU 484 CO 0.21 1.84 0.69 0.54 -1.33 0.00 0.00 177.39 179.34 1a9x s ASN 485 N 2.40 4.02 0.30 -1.43 2.20 -1.26 -4.73 114.94 116.44 1a9x s ASN 485 Ca 0.64 1.40 0.02 0.00 -0.94 0.00 0.00 52.86 53.98 1a9x s ASN 485 Cb 0.17 -2.10 0.58 0.00 -2.00 0.00 0.00 41.25 37.89 1a9x s ASN 485 CO -0.07 -2.28 1.86 0.00 -2.94 0.00 0.00 177.10 173.67 1a9x h ALA 486 N -1.30 1.56 -0.33 3.54 0.00 -1.99 -1.22 119.26 119.51 1a9x h ALA 486 Ca -0.48 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 1a9x h ALA 486 Cb 1.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1a9x h ALA 486 CO 0.57 0.23 -0.41 -0.44 0.00 0.00 0.00 179.25 179.20 1a9x h ASP 487 N 0.97 0.86 -0.12 0.00 3.32 -1.97 -2.23 116.42 117.25 1a9x h ASP 487 Ca 0.46 -0.40 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 1a9x h ASP 487 Cb 0.43 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.75 1a9x h ASP 487 CO -0.22 1.15 -0.50 0.15 -1.72 0.00 0.00 179.24 178.10 1a9x h PHE 488 N 0.65 0.75 -0.83 4.55 3.57 -1.78 -2.08 116.94 121.77 1a9x h PHE 488 Ca 0.05 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1a9x h PHE 488 Cb 0.97 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1a9x h PHE 488 CO 0.05 1.09 0.52 1.25 -2.23 0.00 0.00 178.31 179.00 1a9x h LEU 489 N 0.18 0.98 -0.94 0.59 5.85 -1.30 0.22 115.31 120.89 1a9x h LEU 489 Ca -0.03 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1a9x h LEU 489 Cb 1.14 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1a9x h LEU 489 CO 0.11 0.74 0.07 -0.09 -0.34 0.00 0.00 178.44 178.93 1a9x h ARG 490 N 1.13 0.85 -0.38 1.25 2.43 -1.40 0.16 114.38 118.43 1a9x h ARG 490 Ca 0.30 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1a9x h ARG 490 Cb -0.08 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1a9x h ARG 490 CO -0.06 0.80 0.25 0.37 -1.51 0.00 0.00 179.97 179.82 1a9x h GLN 491 N 0.81 0.49 -0.56 0.20 4.15 -0.29 -1.23 115.11 118.68 1a9x h GLN 491 Ca 0.17 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1a9x h GLN 491 Cb 0.38 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1a9x h GLN 491 CO 0.01 0.33 0.33 -0.07 -1.93 0.00 0.00 178.83 177.50 1a9x h LEU 492 N 0.51 0.68 -0.83 -2.39 3.38 0.15 -2.11 115.31 114.69 1a9x h LEU 492 Ca 0.14 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1a9x h LEU 492 Cb -0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1a9x h LEU 492 CO -0.03 0.54 0.31 0.11 0.09 0.00 0.00 178.44 179.46 1a9x h LYS 493 N 0.75 1.17 0.00 1.13 1.79 -0.40 -1.17 116.57 119.84 1a9x h LYS 493 Ca 0.20 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1a9x h LYS 493 Cb -0.01 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.45 1a9x h LYS 493 CO -0.04 0.95 -0.10 0.00 -1.08 0.00 0.00 179.45 179.18 1a9x h ARG 494 N 1.15 0.00 -0.47 3.15 3.08 -0.78 0.86 114.38 121.36 1a9x h ARG 494 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1a9x h ARG 494 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1a9x h ARG 494 CO -0.02 0.10 0.00 1.63 -1.07 0.00 0.00 179.97 180.61 1a9x n LYS 495 N -3.78 2.13 -1.01 0.04 5.02 -0.49 -4.48 118.16 115.59 1a9x n LYS 495 Ca -0.02 -1.75 -0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1a9x n LYS 495 Cb 0.21 -1.39 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1a9x n LYS 495 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a9x n GLY 496 N 1.29 0.45 3.77 0.72 0.00 0.29 -3.73 105.19 107.98 1a9x n GLY 496 Ca 0.17 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1a9x n GLY 496 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 497 N -2.00 2.99 0.25 1.61 0.08 -0.91 -4.51 117.98 115.50 1a9x s PHE 497 Ca 0.00 1.44 -0.10 0.00 0.12 0.00 0.00 56.93 58.39 1a9x s PHE 497 Cb 0.00 -3.62 -0.07 0.00 -0.57 0.00 0.00 43.02 38.75 1a9x s PHE 497 CO 0.00 -1.81 0.58 0.00 -0.10 0.00 0.00 175.22 173.89 1a9x s ALA 498 N -1.22 3.53 0.36 5.36 0.00 -1.26 -4.61 121.76 123.92 1a9x s ALA 498 Ca 0.53 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.32 1a9x s ALA 498 Cb -0.38 -2.48 0.83 0.00 0.00 0.00 0.00 23.12 21.10 1a9x s ALA 498 CO 0.49 0.44 1.89 -0.44 0.00 0.00 0.00 175.76 178.14 1a9x h ASP 499 N 2.38 0.63 -0.15 0.00 3.32 -1.93 -0.82 116.42 119.85 1a9x h ASP 499 Ca -0.47 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.47 1a9x h ASP 499 Cb 1.17 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1a9x h ASP 499 CO 0.68 0.33 -0.42 0.00 -1.72 0.00 0.00 179.24 178.11 1a9x h ALA 500 N 1.60 0.73 -0.12 3.45 0.00 -1.90 -0.70 119.26 122.33 1a9x h ALA 500 Ca 0.42 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1a9x h ALA 500 Cb 0.67 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a9x h ALA 500 CO -0.18 0.66 -0.02 -0.09 0.00 0.00 0.00 179.25 179.62 1a9x h ARG 501 N 0.56 0.22 -0.65 0.00 9.65 -1.56 -2.39 114.38 120.20 1a9x h ARG 501 Ca 0.04 -0.08 0.05 0.00 -1.10 0.00 0.00 59.98 58.89 1a9x h ARG 501 Cb 0.96 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.48 1a9x h ARG 501 CO 0.09 0.51 0.38 -0.07 2.80 0.00 0.00 179.97 183.68 1a9x h LEU 502 N -0.09 0.59 -1.02 3.80 3.38 -1.16 -2.19 115.31 118.62 1a9x h LEU 502 Ca 0.03 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1a9x h LEU 502 Cb 0.42 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1a9x h LEU 502 CO 0.01 0.39 0.66 0.00 0.09 0.00 0.00 178.44 179.59 1a9x h ALA 503 N 1.32 1.33 -0.40 1.53 0.00 -1.02 -0.87 119.26 121.15 1a9x h ALA 503 Ca 0.28 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1a9x h ALA 503 Cb 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1a9x h ALA 503 CO -0.15 0.59 -0.32 0.87 0.00 0.00 0.00 179.25 180.25 1a9x h LYS 504 N 1.29 0.89 -0.49 0.00 1.57 -0.90 0.33 116.57 119.27 1a9x h LYS 504 Ca 0.39 -0.42 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1a9x h LYS 504 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1a9x h LYS 504 CO -0.11 1.07 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.74 1a9x h LEU 505 N 0.74 0.87 -0.40 2.94 3.38 -0.99 -2.99 115.31 118.86 1a9x h LEU 505 Ca 0.08 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1a9x h LEU 505 Cb 0.88 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1a9x h LEU 505 CO 0.08 0.99 -0.01 0.00 0.09 0.00 0.00 178.44 179.59 1a9x n ALA 506 N -2.45 2.65 -3.00 1.53 0.00 -0.37 -4.35 120.51 114.52 1a9x n ALA 506 Ca 0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 1a9x n ALA 506 Cb 0.34 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.47 1a9x n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 507 N 1.10 -0.37 3.41 0.00 0.00 -0.49 -4.19 105.19 104.66 1a9x n GLY 507 Ca 0.21 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1a9x n GLY 507 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a9x n VAL 508 N -4.42 0.00 -2.64 1.61 0.24 -0.01 -5.02 118.33 108.09 1a9x n VAL 508 Ca -0.08 -2.37 -0.31 0.00 -2.04 0.00 0.00 64.34 59.53 1a9x n VAL 508 Cb 0.60 0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 33.69 1a9x n VAL 508 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1a9x s ARG 509 N -3.62 3.88 0.30 7.34 3.00 -1.26 -4.23 118.95 124.35 1a9x s ARG 509 Ca 0.15 0.73 0.01 0.00 0.00 0.00 0.00 55.73 56.61 1a9x s ARG 509 Cb 0.01 -2.26 0.52 0.00 0.00 0.00 0.00 34.95 33.22 1a9x s ARG 509 CO 0.11 -0.15 1.90 1.49 0.00 0.00 0.00 175.30 178.65 1a9x h GLU 510 N 1.13 1.01 0.00 3.54 4.81 -1.90 0.13 114.58 123.30 1a9x h GLU 510 Ca -0.47 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 1a9x h GLU 510 Cb 1.19 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1a9x h GLU 510 CO 0.63 0.67 -0.03 0.00 -0.73 0.00 0.00 179.01 179.54 1a9x h ALA 511 N 1.51 1.93 -0.57 2.92 0.00 -1.93 -1.01 119.26 122.11 1a9x h ALA 511 Ca 0.40 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 1a9x h ALA 511 Cb 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1a9x h ALA 511 CO -0.16 0.04 0.02 0.93 0.00 0.00 0.00 179.25 180.08 1a9x h GLU 512 N 0.00 0.99 -0.38 0.00 5.08 -1.11 -0.82 114.58 118.34 1a9x h GLU 512 Ca -0.00 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 1a9x h GLU 512 Cb 0.05 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1a9x h GLU 512 CO 0.00 0.98 -0.14 0.82 -1.00 0.00 0.00 179.01 179.67 1a9x h ILE 513 N 0.88 1.25 -0.44 3.13 1.08 -1.40 -2.23 117.51 119.77 1a9x h ILE 513 Ca 0.16 -1.16 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 1a9x h ILE 513 Cb 0.52 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 1a9x h ILE 513 CO 0.02 0.39 0.26 -0.09 -0.69 0.00 0.00 178.15 178.04 1a9x h ARG 514 N 0.62 0.61 -0.65 2.37 2.43 -0.63 -1.07 114.38 118.05 1a9x h ARG 514 Ca 0.10 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1a9x h ARG 514 Cb 0.59 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1a9x h ARG 514 CO 0.04 0.46 0.27 0.87 -1.51 0.00 0.00 179.97 180.10 1a9x h LYS 515 N 0.59 0.97 -0.30 0.20 1.57 -0.97 -2.61 116.57 116.01 1a9x h LYS 515 Ca 0.16 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1a9x h LYS 515 Cb 0.02 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 1a9x h LYS 515 CO -0.03 0.80 -0.02 1.25 -0.57 0.00 0.00 179.45 180.89 1a9x h LEU 516 N 0.91 -0.16 -1.30 2.94 5.85 -1.09 0.19 115.31 122.65 1a9x h LEU 516 Ca 0.22 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1a9x h LEU 516 Cb 0.19 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1a9x h LEU 516 CO -0.02 -0.05 0.35 0.03 -0.34 0.00 0.00 178.44 178.42 1a9x h ARG 517 N 0.06 0.83 -0.20 1.25 3.08 -0.96 -1.24 114.38 117.19 1a9x h ARG 517 Ca 0.15 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1a9x h ARG 517 Cb 0.20 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1a9x h ARG 517 CO -0.26 0.59 0.07 0.22 -1.07 0.00 0.00 179.97 179.52 1a9x h ASP 518 N 0.84 0.29 -0.61 7.04 1.82 -0.70 0.35 116.42 125.46 1a9x h ASP 518 Ca 0.22 -0.19 0.10 0.00 -0.39 0.00 0.00 57.03 56.77 1a9x h ASP 518 Cb -0.01 -0.08 -0.08 0.00 0.68 0.00 0.00 39.33 39.85 1a9x h ASP 518 CO -0.04 0.40 0.19 -0.61 -1.61 0.00 0.00 179.24 177.58 1a9x h GLN 519 N 0.17 0.34 -0.07 0.28 4.15 -0.16 0.15 115.11 119.97 1a9x h GLN 519 Ca 0.07 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1a9x h GLN 519 Cb 0.21 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1a9x h GLN 519 CO -0.00 0.23 0.00 0.66 -1.93 0.00 0.00 178.83 177.78 1a9x n TYR 520 N -5.04 0.08 -3.64 3.99 4.01 -0.52 -4.90 117.16 111.14 1a9x n TYR 520 Ca 0.09 -0.04 -0.24 0.00 -0.16 0.00 0.00 57.90 57.54 1a9x n TYR 520 Cb 0.29 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.40 1a9x n TYR 520 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1a9x n ASP 521 N -0.16 -5.79 -4.24 7.72 2.03 0.51 -4.95 116.55 111.68 1a9x n ASP 521 Ca 0.18 -0.59 -0.42 0.00 0.52 0.00 0.00 54.79 54.48 1a9x n ASP 521 Cb 0.25 -4.85 -0.07 0.00 -0.72 0.00 0.00 41.12 35.72 1a9x n ASP 521 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1a9x s LEU 522 N -7.24 5.87 0.09 -2.67 2.96 0.94 -5.01 118.68 113.61 1a9x s LEU 522 Ca 0.55 -1.95 0.05 0.00 -0.22 0.00 0.00 54.13 52.56 1a9x s LEU 522 Cb -0.25 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1a9x s LEU 522 CO 0.75 -0.72 -0.13 -1.00 -1.32 0.00 0.00 176.35 173.93 1a9x s HIS 523 N 1.32 1.18 0.91 5.38 3.76 -1.26 -4.60 115.29 121.98 1a9x s HIS 523 Ca 0.06 -0.53 -0.12 0.00 -0.15 0.00 0.00 55.06 54.32 1a9x s HIS 523 Cb -0.26 -0.65 0.14 0.00 1.11 0.00 0.00 32.58 32.91 1a9x s HIS 523 CO -0.00 0.05 1.11 -1.25 -0.85 0.00 0.00 174.74 173.80 1a9x s PRO 524 N -2.20 1.15 0.41 8.40 0.04 -1.26 -4.84 135.00 136.69 1a9x s PRO 524 Ca 0.02 0.46 0.07 0.00 0.04 0.00 0.00 61.00 61.59 1a9x s PRO 524 Cb -0.07 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1a9x s PRO 524 CO 0.02 -2.23 0.11 0.14 0.04 0.00 0.00 177.00 175.08 1a9x s VAL 525 N -3.14 2.17 -0.10 -0.36 -7.23 0.20 -4.91 120.40 107.03 1a9x s VAL 525 Ca 0.64 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.01 1a9x s VAL 525 Cb -0.16 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 1a9x s VAL 525 CO 0.55 0.00 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.84 1a9x s TYR 526 N -2.65 2.66 0.26 2.82 1.51 -1.26 -1.53 117.35 119.16 1a9x s TYR 526 Ca 0.38 -0.75 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1a9x s TYR 526 Cb 0.06 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1a9x s TYR 526 CO 0.21 -0.25 0.12 0.15 -1.11 0.00 0.00 175.55 174.67 1a9x s LYS 527 N 0.17 2.66 0.08 -0.62 -0.14 -0.35 0.49 119.74 122.02 1a9x s LYS 527 Ca -0.11 -1.21 0.04 0.00 -1.36 0.00 0.00 55.97 53.33 1a9x s LYS 527 Cb -0.16 -2.40 -0.04 0.00 -1.68 0.00 0.00 37.83 33.56 1a9x s LYS 527 CO 0.06 0.38 0.03 1.03 -0.76 0.00 0.00 175.35 176.08 1a9x s ARG 528 N -3.78 2.68 0.16 1.68 0.52 -1.26 -1.82 118.95 117.14 1a9x s ARG 528 Ca 0.32 -0.76 -0.29 0.00 -0.52 0.00 0.00 55.73 54.48 1a9x s ARG 528 Cb -0.07 -2.62 -0.07 0.00 0.52 0.00 0.00 34.95 32.71 1a9x s ARG 528 CO 0.23 0.56 0.90 0.08 0.02 0.00 0.00 175.30 177.08 1a9x s VAL 529 N -1.31 4.33 0.00 3.52 1.01 0.32 -4.97 120.40 123.30 1a9x s VAL 529 Ca 0.26 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.21 1a9x s VAL 529 Cb -0.12 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1a9x s VAL 529 CO 0.19 0.43 0.10 -0.90 0.00 0.00 0.00 175.10 174.92 1a9x n ASP 530 N 2.06 0.00 0.00 3.32 5.68 -1.26 -4.74 116.55 121.62 1a9x n ASP 530 Ca -0.01 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1a9x n ASP 530 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1a9x n ASP 530 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1a9x n THR 531 N 0.00 0.00 -1.97 2.12 -2.24 -1.05 -4.63 114.28 106.50 1a9x n THR 531 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1a9x n THR 531 Cb 0.39 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.68 1a9x n THR 531 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a9x n ALA 533 N -0.23 -1.74 -1.05 0.00 0.00 0.47 -1.10 120.51 116.85 1a9x n ALA 533 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 1a9x n ALA 533 Cb 0.85 -2.45 -0.01 0.00 0.00 0.00 0.00 19.45 17.85 1a9x n ALA 533 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x n ALA 534 N -4.42 -0.03 0.21 0.00 0.00 -1.26 -4.86 120.51 110.15 1a9x n ALA 534 Ca -0.18 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.37 1a9x n ALA 534 Cb 0.62 -0.97 0.48 0.00 0.00 0.00 0.00 19.45 19.58 1a9x n ALA 534 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1a9x h GLU 535 N 0.35 0.00 -5.17 0.00 4.81 -1.52 -3.44 114.58 109.62 1a9x h GLU 535 Ca -0.03 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.83 1a9x h GLU 535 Cb 0.63 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.83 1a9x h GLU 535 CO 0.05 0.28 -0.74 -0.06 -0.73 0.00 0.00 179.01 177.81 1a9x s PHE 536 N -3.95 1.23 0.81 0.92 0.08 -1.26 -5.14 117.98 110.67 1a9x s PHE 536 Ca -0.02 -0.62 -0.12 0.00 0.12 0.00 0.00 56.93 56.30 1a9x s PHE 536 Cb 0.12 -0.65 0.08 0.00 -0.57 0.00 0.00 43.02 42.00 1a9x s PHE 536 CO 0.66 0.07 1.10 0.00 -0.10 0.00 0.00 175.22 176.95 1a9x s ALA 537 N -2.39 2.18 0.04 5.36 0.00 -1.26 -4.97 121.76 120.71 1a9x s ALA 537 Ca 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1a9x s ALA 537 Cb -0.03 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1a9x s ALA 537 CO 0.01 -1.81 -0.05 -0.08 0.00 0.00 0.00 175.76 173.83 1a9x s THR 538 N -3.16 0.35 -0.16 0.00 -1.32 -1.26 -4.55 115.64 105.53 1a9x s THR 538 Ca 0.61 -1.11 0.01 0.00 -1.21 0.00 0.00 61.69 60.00 1a9x s THR 538 Cb -0.15 -0.59 0.01 0.00 -1.51 0.00 0.00 72.50 70.26 1a9x s THR 538 CO 0.54 -0.50 0.49 0.47 -2.21 0.00 0.00 174.62 173.41 1a9x n ASP 539 N 1.34 1.00 -4.78 8.08 8.00 -1.23 -4.99 116.55 123.96 1a9x n ASP 539 Ca -0.22 -1.00 -0.39 0.00 0.71 0.00 0.00 54.79 53.89 1a9x n ASP 539 Cb 0.56 0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.71 1a9x n ASP 539 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a9x s THR 540 N -0.23 4.55 -0.98 -3.53 2.01 -1.26 -5.00 115.64 111.19 1a9x s THR 540 Ca 0.02 1.51 -0.03 0.00 0.31 0.00 0.00 61.69 63.50 1a9x s THR 540 Cb 0.01 -4.05 0.28 0.00 0.01 0.00 0.00 72.50 68.76 1a9x s THR 540 CO 0.02 0.51 1.22 0.00 -0.69 0.00 0.00 174.62 175.68 1a9x n ALA 541 N 1.82 4.69 -3.24 7.40 0.00 -1.26 -4.91 120.51 125.00 1a9x n ALA 541 Ca -0.07 -4.76 -0.40 0.00 0.00 0.00 0.00 53.44 48.21 1a9x n ALA 541 Cb 0.50 -2.02 -0.10 0.00 0.00 0.00 0.00 19.45 17.82 1a9x n ALA 541 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1a9x s TYR 542 N -2.37 3.33 0.24 0.00 5.04 -1.26 -1.62 117.35 120.70 1a9x s TYR 542 Ca 0.32 -1.48 0.08 0.00 -2.44 0.00 0.00 57.07 53.55 1a9x s TYR 542 Cb 0.03 -2.86 -0.05 0.00 0.35 0.00 0.00 41.96 39.43 1a9x s TYR 542 CO 0.03 -0.82 -0.13 -1.64 -1.34 0.00 0.00 175.55 171.65 1a9x s MET 543 N 1.43 1.44 0.02 4.97 -1.94 0.70 -0.52 119.30 125.40 1a9x s MET 543 Ca 0.03 -1.67 -0.01 0.00 -1.71 0.00 0.00 55.69 52.32 1a9x s MET 543 Cb -0.22 -1.22 -0.02 0.00 2.01 0.00 0.00 34.83 35.38 1a9x s MET 543 CO 0.02 0.16 -0.00 1.52 -0.01 0.00 0.00 175.02 176.72 1a9x s TYR 544 N -2.92 0.21 0.25 -0.03 1.13 -0.75 -0.04 117.35 115.20 1a9x s TYR 544 Ca 0.26 -0.45 -0.13 0.00 -1.41 0.00 0.00 57.07 55.34 1a9x s TYR 544 Cb -0.00 -0.16 -0.08 0.00 -1.10 0.00 0.00 41.96 40.62 1a9x s TYR 544 CO 0.09 -0.20 0.63 -1.54 -2.51 0.00 0.00 175.55 172.03 1a9x s SER 545 N -1.40 6.75 -0.02 -0.18 1.04 -1.26 -1.21 113.70 117.41 1a9x s SER 545 Ca -0.15 1.12 -0.29 0.00 0.48 0.00 0.00 55.95 57.10 1a9x s SER 545 Cb -0.09 -2.30 0.08 0.00 0.10 0.00 0.00 66.02 63.80 1a9x s SER 545 CO -0.01 -0.08 0.72 0.28 0.98 0.00 0.00 173.24 175.13 1a9x s THR 546 N -1.80 0.00 -1.17 2.02 -1.32 -0.58 -4.78 115.64 108.01 1a9x s THR 546 Ca 0.48 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.84 1a9x s THR 546 Cb -0.12 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.08 1a9x s THR 546 CO 0.19 0.00 1.32 -0.31 -2.21 0.00 0.00 174.62 173.62 1a9x s TYR 547 N -1.73 3.75 0.18 9.09 1.51 -1.26 0.60 117.35 129.48 1a9x s TYR 547 Ca -0.07 -2.30 0.01 0.00 -1.01 0.00 0.00 57.07 53.70 1a9x s TYR 547 Cb -0.00 -4.16 -0.00 0.00 -0.11 0.00 0.00 41.96 37.68 1a9x s TYR 547 CO 0.04 -1.25 0.04 -1.91 -1.11 0.00 0.00 175.55 171.36 1a9x n GLU 548 N 4.71 1.00 0.00 -0.62 2.13 -1.26 -4.85 120.64 121.76 1a9x n GLU 548 Ca 0.32 -1.43 0.00 0.00 0.66 0.00 0.00 57.16 56.71 1a9x n GLU 548 Cb 0.42 0.66 0.00 0.00 0.27 0.00 0.00 31.44 32.78 1a9x n GLU 548 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1a9x n GLU 549 N -0.41 0.00 -2.77 5.31 -0.58 -1.26 -4.49 120.64 116.43 1a9x n GLU 549 Ca -0.04 0.34 -0.42 0.00 -0.42 0.00 0.00 57.16 56.62 1a9x n GLU 549 Cb 0.25 -1.01 -0.03 0.00 -0.57 0.00 0.00 31.44 30.08 1a9x n GLU 549 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1a9x s GLU 550 N -1.26 4.54 -0.15 3.49 2.12 -1.26 -4.98 118.70 121.21 1a9x s GLU 550 Ca 0.00 1.33 -0.07 0.00 0.36 0.00 0.00 54.97 56.59 1a9x s GLU 550 Cb 0.00 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1a9x s GLU 550 CO 0.00 -0.02 0.10 0.00 -0.54 0.00 0.00 175.26 174.80 1a9x n GLU 552 N 2.69 2.66 -0.15 0.00 1.02 0.18 -4.67 120.64 122.37 1a9x n GLU 552 Ca -0.18 -2.14 -0.05 0.00 -0.02 0.00 0.00 57.16 54.77 1a9x n GLU 552 Cb 0.53 -1.34 0.04 0.00 -0.02 0.00 0.00 31.44 30.65 1a9x n GLU 552 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x h ALA 553 N 2.66 0.57 -7.00 0.62 0.00 -1.94 -3.47 119.26 110.71 1a9x h ALA 553 Ca 0.00 0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.36 1a9x h ALA 553 Cb 0.78 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1a9x h ALA 553 CO 0.00 -0.15 -0.95 -1.71 0.00 0.00 0.00 179.25 176.44 1a9x n ASN 554 N -4.92 -3.25 -4.76 0.00 4.05 -1.26 -4.90 115.26 100.21 1a9x n ASN 554 Ca 0.03 -1.24 -0.36 0.00 0.45 0.00 0.00 54.58 53.47 1a9x n ASN 554 Cb 0.13 -1.49 0.02 0.00 1.23 0.00 0.00 39.78 39.67 1a9x n ASN 554 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1a9x s PRO 555 N -7.35 3.17 0.48 1.20 0.04 -1.26 -5.00 135.00 126.27 1a9x s PRO 555 Ca 0.41 1.74 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 1a9x s PRO 555 Cb -0.23 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1a9x s PRO 555 CO 0.92 -1.03 1.12 -1.12 0.04 0.00 0.00 177.00 176.94 1a9x s SER 556 N -1.65 6.13 0.00 6.66 0.01 -1.26 -4.91 113.70 118.68 1a9x s SER 556 Ca 0.75 2.18 0.02 0.00 1.31 0.00 0.00 55.95 60.21 1a9x s SER 556 Cb -0.28 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.34 1a9x s SER 556 CO 0.31 -0.93 0.10 0.35 0.41 0.00 0.00 173.24 173.48 1a9x n THR 557 N -0.74 0.00 0.07 1.44 -2.24 -1.26 -4.62 114.28 106.92 1a9x n THR 557 Ca 0.09 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 1a9x n THR 557 Cb 0.50 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.64 1a9x n THR 557 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1a9x h ASP 558 N 0.02 -0.18 -2.42 3.42 1.82 -2.02 -3.48 116.42 113.58 1a9x h ASP 558 Ca 0.00 -0.32 -0.53 0.00 -0.39 0.00 0.00 57.03 55.79 1a9x h ASP 558 Cb 0.05 0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.05 1a9x h ASP 558 CO 0.00 0.26 -0.53 -0.13 -1.61 0.00 0.00 179.24 177.23 1a9x s ARG 559 N -4.28 2.98 -0.25 0.28 0.52 -1.26 -5.10 118.95 111.84 1a9x s ARG 559 Ca -0.14 -0.93 -0.24 0.00 -0.52 0.00 0.00 55.73 53.89 1a9x s ARG 559 Cb 0.02 -2.64 -0.00 0.00 0.52 0.00 0.00 34.95 32.84 1a9x s ARG 559 CO 0.58 0.44 0.82 -1.83 0.02 0.00 0.00 175.30 175.33 1a9x s GLU 560 N -3.52 4.14 0.03 3.54 -1.05 -1.26 -4.95 118.70 115.64 1a9x s GLU 560 Ca 0.32 0.87 0.04 0.00 -0.15 0.00 0.00 54.97 56.06 1a9x s GLU 560 Cb -0.09 -3.66 -0.04 0.00 -0.44 0.00 0.00 34.13 29.90 1a9x s GLU 560 CO 0.25 -0.55 -0.07 0.15 0.95 0.00 0.00 175.26 175.99 1a9x s LYS 561 N 2.86 2.45 -0.08 -4.83 1.02 -1.26 -1.40 119.74 118.50 1a9x s LYS 561 Ca 0.34 -0.80 0.03 0.00 0.02 0.00 0.00 55.97 55.56 1a9x s LYS 561 Cb -0.15 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1a9x s LYS 561 CO 0.08 0.58 -0.17 0.42 -0.92 0.00 0.00 175.35 175.34 1a9x s ILE 562 N -1.06 1.53 -0.12 2.17 -1.09 0.40 -0.13 121.20 122.91 1a9x s ILE 562 Ca 0.18 -0.71 -0.03 0.00 -2.23 0.00 0.00 60.65 57.86 1a9x s ILE 562 Cb -0.11 -1.36 -0.03 0.00 -1.58 0.00 0.00 42.46 39.37 1a9x s ILE 562 CO 0.09 0.44 0.01 -0.32 -1.23 0.00 0.00 174.94 173.94 1a9x s MET 563 N 0.56 3.33 -0.10 2.79 -2.45 -0.69 -0.27 119.30 122.47 1a9x s MET 563 Ca -0.16 -0.40 0.04 0.00 -1.25 0.00 0.00 55.69 53.92 1a9x s MET 563 Cb -0.17 -2.92 0.00 0.00 1.25 0.00 0.00 34.83 33.00 1a9x s MET 563 CO 0.05 0.54 -0.23 0.08 1.05 0.00 0.00 175.02 176.51 1a9x s VAL 564 N -0.42 1.98 -0.24 10.11 1.01 0.14 0.40 120.40 133.39 1a9x s VAL 564 Ca 0.08 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1a9x s VAL 564 Cb -0.12 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 1a9x s VAL 564 CO 0.02 0.54 0.14 -0.76 0.00 0.00 0.00 175.10 175.04 1a9x s LEU 565 N 0.41 4.01 1.18 3.92 1.43 -0.79 -1.45 118.68 127.38 1a9x s LEU 565 Ca -0.18 0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 1a9x s LEU 565 Cb -0.18 -2.07 0.28 0.00 0.03 0.00 0.00 46.19 44.25 1a9x s LEU 565 CO 0.08 0.06 1.14 -0.83 0.23 0.00 0.00 176.35 177.03 1a9x s GLY 566 N 1.09 1.61 0.00 -3.19 0.00 0.13 -3.67 107.32 103.30 1a9x s GLY 566 Ca 0.07 -1.01 0.19 0.00 0.00 0.00 0.00 44.72 43.96 1a9x s GLY 566 CO 0.05 -0.13 1.03 0.61 0.00 0.00 0.00 173.10 174.66 1a9x n GLY 567 N -1.36 0.28 6.30 0.20 0.00 -1.25 -4.34 105.19 105.01 1a9x n GLY 567 Ca 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1a9x n GLY 567 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 568 N 1.18 -1.24 3.73 -0.02 0.00 -1.26 -4.69 105.19 102.88 1a9x n GLY 568 Ca 0.10 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 1a9x n GLY 568 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a9x s PRO 569 N 0.00 2.06 0.34 1.61 0.04 -1.26 -4.44 135.00 133.35 1a9x s PRO 569 Ca 0.00 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1a9x s PRO 569 Cb 0.00 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 1a9x s PRO 569 CO 0.00 -1.86 0.77 -0.80 0.04 0.00 0.00 177.00 175.15 1a9x s ASN 570 N -2.40 6.81 0.21 6.66 -0.87 -1.26 -4.92 114.94 119.17 1a9x s ASN 570 Ca 0.70 1.35 -0.13 0.00 -1.57 0.00 0.00 52.86 53.21 1a9x s ASN 570 Cb -0.25 -2.40 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 1a9x s ASN 570 CO 0.48 -0.22 0.43 -0.13 -2.57 0.00 0.00 177.10 175.09 1a9x s ARG 571 N -2.99 1.38 -0.11 -0.60 3.00 -1.14 -3.40 118.95 115.09 1a9x s ARG 571 Ca 0.55 -1.12 -0.32 0.00 0.00 0.00 0.00 55.73 54.84 1a9x s ARG 571 Cb -0.10 0.45 -0.10 0.00 0.00 0.00 0.00 34.95 35.20 1a9x s ARG 571 CO 0.17 -0.56 2.00 -0.89 0.00 0.00 0.00 175.30 176.02 1a9x n ILE 572 N -0.32 0.55 -0.01 1.52 5.41 -1.26 -0.35 119.36 124.90 1a9x n ILE 572 Ca -0.06 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1a9x n ILE 572 Cb 0.62 -2.08 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1a9x n ILE 572 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a9x n GLY 573 N 4.90 0.72 2.25 7.39 0.00 -1.26 -4.92 105.19 114.26 1a9x n GLY 573 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 1a9x n GLY 573 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a9x n GLN 574 N -2.00 1.14 0.00 1.61 1.13 0.52 -5.00 117.38 114.78 1a9x n GLN 574 Ca 0.00 -3.55 0.00 0.00 -1.94 0.00 0.00 57.00 51.51 1a9x n GLN 574 Cb 0.00 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 28.89 1a9x n GLN 574 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a9x n GLY 575 N 1.22 2.42 0.36 1.08 0.00 -1.24 -2.87 105.19 106.17 1a9x n GLY 575 Ca 0.23 -1.92 0.17 0.00 0.00 0.00 0.00 46.02 44.50 1a9x n GLY 575 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a9x h ILE 576 N 0.00 0.80 -1.00 -0.61 2.10 -1.93 -1.70 117.51 115.17 1a9x h ILE 576 Ca 0.00 -0.01 0.11 0.00 1.08 0.00 0.00 64.86 66.04 1a9x h ILE 576 Cb 0.00 0.76 -0.08 0.00 -1.09 0.00 0.00 36.82 36.41 1a9x h ILE 576 CO 0.00 0.01 0.64 -0.33 -1.08 0.00 0.00 178.15 177.38 1a9x h GLU 577 N 0.03 1.00 -0.30 2.19 3.07 -1.90 0.75 114.58 119.43 1a9x h GLU 577 Ca 0.20 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 58.83 1a9x h GLU 577 Cb 0.77 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1a9x h GLU 577 CO -0.01 0.66 -0.49 0.74 -1.40 0.00 0.00 179.01 178.51 1a9x h PHE 578 N 1.03 1.03 -0.16 4.33 0.04 -1.58 -3.02 116.94 118.61 1a9x h PHE 578 Ca 0.49 -0.35 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 1a9x h PHE 578 Cb 0.43 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1a9x h PHE 578 CO -0.00 1.16 -0.19 0.22 -0.60 0.00 0.00 178.31 178.89 1a9x h ASP 579 N 0.66 0.27 -0.51 2.17 3.58 -1.21 -1.87 116.42 119.50 1a9x h ASP 579 Ca 0.03 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1a9x h ASP 579 Cb 1.08 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1a9x h ASP 579 CO 0.11 0.48 0.26 0.22 -2.88 0.00 0.00 179.24 177.43 1a9x h TYR 580 N 0.26 0.72 -0.66 0.28 5.03 -0.78 -0.94 116.97 120.88 1a9x h TYR 580 Ca 0.05 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 1a9x h TYR 580 Cb 0.49 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.51 1a9x h TYR 580 CO 0.01 0.55 0.33 0.00 -1.32 0.00 0.00 178.16 177.74 1a9x h VAL 583 N 0.25 0.91 -0.37 0.00 2.07 -0.90 -1.55 116.25 116.65 1a9x h VAL 583 Ca 0.07 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1a9x h VAL 583 Cb -0.02 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1a9x h VAL 583 CO -0.01 0.12 -0.12 0.45 0.02 0.00 0.00 177.57 178.03 1a9x h HIS 584 N 0.65 0.70 -0.49 1.57 -0.00 -0.50 0.14 115.15 117.23 1a9x h HIS 584 Ca 0.33 -0.12 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 1a9x h HIS 584 Cb 0.28 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 1a9x h HIS 584 CO -0.09 0.74 0.26 0.00 -0.00 0.00 0.00 177.93 178.84 1a9x h ALA 585 N 1.28 0.63 0.01 2.45 0.00 -0.16 -0.76 119.26 122.71 1a9x h ALA 585 Ca 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a9x h ALA 585 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1a9x h ALA 585 CO 0.03 0.15 -0.00 1.03 0.00 0.00 0.00 179.25 180.46 1a9x h SER 586 N 0.65 -0.01 -0.27 0.00 0.87 -0.77 -1.83 113.55 112.18 1a9x h SER 586 Ca 0.17 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1a9x h SER 586 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1a9x h SER 586 CO -0.03 0.22 0.18 -0.07 -0.53 0.00 0.00 176.83 176.60 1a9x h LEU 587 N -0.23 0.32 -0.00 2.23 3.38 -0.55 -2.19 115.31 118.26 1a9x h LEU 587 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1a9x h LEU 587 Cb 0.23 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1a9x h LEU 587 CO 0.00 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.77 1a9x h ALA 588 N 1.10 0.01 -0.41 1.53 0.00 -1.12 -1.72 119.26 118.64 1a9x h ALA 588 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1a9x h ALA 588 Cb -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1a9x h ALA 588 CO -0.02 -0.44 0.14 -0.07 0.00 0.00 0.00 179.25 178.86 1a9x h LEU 589 N -0.10 0.54 -0.20 0.00 3.38 -1.32 -1.51 115.31 116.10 1a9x h LEU 589 Ca 0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1a9x h LEU 589 Cb 0.11 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1a9x h LEU 589 CO -0.00 0.52 -0.12 -0.09 0.09 0.00 0.00 178.44 178.84 1a9x h ARG 590 N 0.59 0.43 -0.95 1.13 2.43 -1.33 0.34 114.38 117.02 1a9x h ARG 590 Ca 0.14 -0.20 0.11 0.00 -0.81 0.00 0.00 59.98 59.22 1a9x h ARG 590 Cb 0.17 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 1a9x h ARG 590 CO -0.01 0.74 0.61 1.49 -1.51 0.00 0.00 179.97 181.29 1a9x h GLU 591 N 0.12 0.90 0.00 0.20 4.57 -1.02 -1.18 114.58 118.17 1a9x h GLU 591 Ca 0.04 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1a9x h GLU 591 Cb 0.63 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1a9x h GLU 591 CO 0.03 0.60 0.00 -0.44 -1.18 0.00 0.00 179.01 178.02 1a9x h ASP 592 N 0.93 0.00 0.00 1.04 5.19 -1.02 -3.47 116.42 119.09 1a9x h ASP 592 Ca 0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 1a9x h ASP 592 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1a9x h ASP 592 CO -0.22 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.51 1a9x n GLY 593 N 0.60 1.08 3.87 2.75 0.00 -0.45 -5.07 105.19 107.97 1a9x n GLY 593 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1a9x n GLY 593 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 594 N -2.00 3.55 -0.28 1.61 2.02 0.06 -4.84 117.35 117.47 1a9x s TYR 594 Ca 0.00 1.25 -0.19 0.00 -0.37 0.00 0.00 57.07 57.76 1a9x s TYR 594 Cb 0.00 -2.65 -0.02 0.00 -0.40 0.00 0.00 41.96 38.89 1a9x s TYR 594 CO 0.00 -0.48 0.59 -2.00 -1.57 0.00 0.00 175.55 172.09 1a9x s GLU 595 N -4.66 3.97 -0.15 -0.62 2.12 -0.49 -4.14 118.70 114.72 1a9x s GLU 595 Ca 0.55 0.32 -0.06 0.00 0.36 0.00 0.00 54.97 56.14 1a9x s GLU 595 Cb -0.11 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 1a9x s GLU 595 CO 0.44 -0.48 0.05 0.95 -0.54 0.00 0.00 175.26 175.68 1a9x s THR 596 N 2.48 4.73 -0.20 -1.70 -4.23 -1.26 -0.45 115.64 115.01 1a9x s THR 596 Ca 0.24 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1a9x s THR 596 Cb -0.15 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.63 1a9x s THR 596 CO 0.10 0.51 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.89 1a9x s ILE 597 N -0.07 2.11 -0.13 2.99 1.01 0.63 -1.38 121.20 126.37 1a9x s ILE 597 Ca 0.06 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.60 1a9x s ILE 597 Cb -0.12 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1a9x s ILE 597 CO 0.01 0.43 0.07 -0.32 0.00 0.00 0.00 174.94 175.13 1a9x s MET 598 N 1.26 3.44 -0.21 2.79 1.75 0.47 0.26 119.30 129.07 1a9x s MET 598 Ca 0.02 -0.28 -0.00 0.00 -1.25 0.00 0.00 55.69 54.18 1a9x s MET 598 Cb -0.14 -3.06 0.05 0.00 2.84 0.00 0.00 34.83 34.52 1a9x s MET 598 CO -0.11 0.61 -0.05 0.08 -0.65 0.00 0.00 175.02 174.90 1a9x s VAL 599 N -0.58 1.30 0.00 10.11 1.01 -0.53 -1.13 120.40 130.59 1a9x s VAL 599 Ca 0.11 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1a9x s VAL 599 Cb -0.12 -1.55 0.10 0.00 0.00 0.00 0.00 36.38 34.81 1a9x s VAL 599 CO 0.02 -0.02 1.06 0.21 0.00 0.00 0.00 175.10 176.37 1a9x s ASN 600 N 1.52 -0.20 0.00 3.32 2.47 -1.10 0.18 114.94 121.13 1a9x s ASN 600 Ca -0.03 -0.15 0.18 0.00 0.42 0.00 0.00 52.86 53.29 1a9x s ASN 600 Cb -0.17 0.32 0.30 0.00 -1.45 0.00 0.00 41.25 40.25 1a9x s ASN 600 CO -0.07 -0.55 1.11 0.00 -3.72 0.00 0.00 177.10 173.87 1a9x s ASN 602 N -1.68 6.47 0.28 0.00 3.84 -1.26 -1.14 114.94 121.45 1a9x s ASN 602 Ca 0.24 0.11 0.25 0.00 0.21 0.00 0.00 52.86 53.67 1a9x s ASN 602 Cb 0.27 -2.38 0.97 0.00 -0.55 0.00 0.00 41.25 39.57 1a9x s ASN 602 CO -0.12 -0.79 1.75 1.55 -2.79 0.00 0.00 177.10 176.70 1a9x h PRO 603 N 8.69 0.00 0.00 0.43 0.13 -1.89 -3.26 132.00 136.11 1a9x h PRO 603 Ca -0.25 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1a9x h PRO 603 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1a9x h PRO 603 CO 0.92 0.00 -0.31 0.93 -0.23 0.00 0.00 178.00 179.31 1a9x h GLU 604 N 0.00 0.00 -7.13 0.86 5.08 -1.91 -3.41 114.58 108.07 1a9x h GLU 604 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 1a9x h GLU 604 Cb 0.47 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.78 1a9x h GLU 604 CO 0.00 0.31 0.15 0.95 -1.00 0.00 0.00 179.01 179.41 1a9x s THR 605 N -3.40 2.83 -0.12 1.13 -4.23 -1.23 -3.18 115.64 107.44 1a9x s THR 605 Ca 0.02 -0.28 0.15 0.00 -1.18 0.00 0.00 61.69 60.40 1a9x s THR 605 Cb 0.09 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 1a9x s THR 605 CO 0.68 -0.15 1.23 0.58 -0.54 0.00 0.00 174.62 176.42 1a9x h VAL 606 N -0.30 0.82 0.00 2.29 2.07 -1.91 -3.20 116.25 116.02 1a9x h VAL 606 Ca -0.44 -2.25 -0.04 0.00 0.82 0.00 0.00 66.70 64.78 1a9x h VAL 606 Cb 1.29 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 1a9x h VAL 606 CO 0.59 0.47 -0.19 0.77 0.02 0.00 0.00 177.57 179.22 1a9x h SER 607 N 0.00 0.00 -0.60 0.57 4.64 -1.93 -2.27 113.55 113.96 1a9x h SER 607 Ca -0.06 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.13 1a9x h SER 607 Cb 1.49 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.50 1a9x h SER 607 CO 0.06 0.19 0.17 0.35 -0.87 0.00 0.00 176.83 176.73 1a9x n THR 608 N -3.92 2.53 -3.49 2.95 -2.24 -1.21 -4.84 114.28 104.07 1a9x n THR 608 Ca -0.02 -1.33 -0.37 0.00 -2.27 0.00 0.00 64.05 60.06 1a9x n THR 608 Cb 0.28 -0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 68.06 1a9x n THR 608 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a9x s ASP 609 N -0.76 6.48 0.24 3.42 -1.08 -0.85 -4.94 116.67 119.18 1a9x s ASP 609 Ca 0.48 0.56 0.18 0.00 -0.52 0.00 0.00 52.55 53.25 1a9x s ASP 609 Cb 0.37 -2.20 0.92 0.00 -1.46 0.00 0.00 42.92 40.55 1a9x s ASP 609 CO 0.12 0.07 1.56 0.00 0.52 0.00 0.00 175.17 177.44 1a9x n TYR 610 N 3.66 0.60 0.20 -5.34 0.18 -1.26 -1.34 117.16 113.85 1a9x n TYR 610 Ca -0.11 0.29 0.10 0.00 1.88 0.00 0.00 57.90 60.06 1a9x n TYR 610 Cb 0.52 -0.97 0.13 0.00 -0.38 0.00 0.00 39.34 38.65 1a9x n TYR 610 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 1a9x h ASP 611 N 0.00 0.00 0.66 9.48 3.32 -1.92 -3.33 116.42 124.63 1a9x h ASP 611 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1a9x h ASP 611 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1a9x h ASP 611 CO 0.00 0.11 -0.04 0.74 -1.72 0.00 0.00 179.24 178.32 1a9x h THR 612 N 0.00 0.16 -4.13 0.35 2.02 -1.47 -3.46 112.91 106.38 1a9x h THR 612 Ca -0.00 -0.46 -0.24 0.00 0.77 0.00 0.00 66.41 66.48 1a9x h THR 612 Cb 1.08 1.39 -0.09 0.00 -1.74 0.00 0.00 68.15 68.79 1a9x h THR 612 CO 0.01 0.04 -0.25 -0.94 0.37 0.00 0.00 175.52 174.76 1a9x s SER 613 N -5.70 0.68 0.11 4.18 1.04 -1.25 -4.41 113.70 108.35 1a9x s SER 613 Ca -0.01 -1.39 -0.08 0.00 0.48 0.00 0.00 55.95 54.95 1a9x s SER 613 Cb 0.11 0.61 -0.14 0.00 0.10 0.00 0.00 66.02 66.70 1a9x s SER 613 CO 0.53 -1.20 1.28 0.44 0.98 0.00 0.00 173.24 175.26 1a9x h ASP 614 N 2.20 0.71 -3.55 7.02 3.32 -1.58 -3.44 116.42 121.10 1a9x h ASP 614 Ca -0.29 -0.55 -0.29 0.00 0.02 0.00 0.00 57.03 55.93 1a9x h ASP 614 Cb 1.24 -0.21 -0.33 0.00 0.22 0.00 0.00 39.33 40.25 1a9x h ASP 614 CO 0.40 1.34 -0.73 -0.13 -1.72 0.00 0.00 179.24 178.40 1a9x s ARG 615 N -3.36 -0.01 -0.16 3.56 0.52 -0.48 -4.45 118.95 114.57 1a9x s ARG 615 Ca -0.08 0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.30 1a9x s ARG 615 Cb 0.08 -0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.33 1a9x s ARG 615 CO 0.89 -0.14 -0.20 -1.17 0.02 0.00 0.00 175.30 174.70 1a9x s LEU 616 N 0.93 2.19 -0.33 2.53 2.96 -0.64 -0.39 118.68 125.94 1a9x s LEU 616 Ca -0.08 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 1a9x s LEU 616 Cb -0.11 -1.48 0.05 0.00 0.50 0.00 0.00 46.19 45.14 1a9x s LEU 616 CO -0.03 0.05 0.06 -0.31 -1.32 0.00 0.00 176.35 174.80 1a9x s TYR 617 N 1.01 3.28 -1.18 5.38 1.51 -0.28 -0.21 117.35 126.86 1a9x s TYR 617 Ca -0.02 -1.72 -0.16 0.00 -1.01 0.00 0.00 57.07 54.16 1a9x s TYR 617 Cb -0.15 -2.27 0.13 0.00 -0.11 0.00 0.00 41.96 39.57 1a9x s TYR 617 CO -0.06 -0.79 1.47 0.12 -1.11 0.00 0.00 175.55 175.19 1a9x s PHE 618 N 1.31 3.20 0.12 2.71 2.19 0.94 -2.70 117.98 125.75 1a9x s PHE 618 Ca -0.03 -1.82 0.02 0.00 0.33 0.00 0.00 56.93 55.43 1a9x s PHE 618 Cb -0.20 -4.45 -0.04 0.00 -1.31 0.00 0.00 43.02 37.02 1a9x s PHE 618 CO 0.00 -1.55 -0.06 -1.21 1.83 0.00 0.00 175.22 174.24 1a9x s GLU 619 N 2.63 0.91 0.42 10.12 0.41 -1.10 -4.68 118.70 127.40 1a9x s GLU 619 Ca 0.44 -1.39 -0.26 0.00 -0.41 0.00 0.00 54.97 53.36 1a9x s GLU 619 Cb -0.01 -0.27 -0.09 0.00 -1.78 0.00 0.00 34.13 31.99 1a9x s GLU 619 CO 0.00 -0.03 1.37 -2.14 -0.49 0.00 0.00 175.26 173.97 1a9x s PRO 620 N -3.84 3.89 -1.10 0.39 0.02 -1.26 -3.60 135.00 129.49 1a9x s PRO 620 Ca 0.15 2.29 -0.14 0.00 0.02 0.00 0.00 61.00 63.32 1a9x s PRO 620 Cb 0.05 -2.75 0.18 0.00 0.02 0.00 0.00 34.50 32.01 1a9x s PRO 620 CO -0.03 -0.61 1.26 0.08 -0.33 0.00 0.00 177.00 177.38 1a9x s VAL 621 N -1.22 5.18 0.24 3.83 1.01 -1.26 -4.63 120.40 123.56 1a9x s VAL 621 Ca 0.58 -2.54 0.04 0.00 0.00 0.00 0.00 61.98 60.05 1a9x s VAL 621 Cb -0.41 -4.80 -0.05 0.00 0.00 0.00 0.00 36.38 31.12 1a9x s VAL 621 CO 0.53 -1.48 0.01 0.42 0.00 0.00 0.00 175.10 174.58 1a9x s THR 622 N 1.21 1.05 0.18 3.92 -4.23 -1.26 -4.88 115.64 111.62 1a9x s THR 622 Ca 0.37 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.72 1a9x s THR 622 Cb -0.05 -2.41 0.09 0.00 1.34 0.00 0.00 72.50 71.47 1a9x s THR 622 CO -0.04 -0.28 1.83 0.25 -0.54 0.00 0.00 174.62 175.84 1a9x h LEU 623 N 2.43 0.59 0.17 4.79 5.85 -1.96 -1.57 115.31 125.61 1a9x h LEU 623 Ca -0.39 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1a9x h LEU 623 Cb 1.23 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1a9x h LEU 623 CO 0.65 0.42 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.94 1a9x h GLU 624 N 0.71 -0.32 -0.79 1.25 4.81 -1.96 -1.86 114.58 116.42 1a9x h GLU 624 Ca 0.23 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1a9x h GLU 624 Cb -0.01 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1a9x h GLU 624 CO -0.09 -0.21 0.35 -0.44 -0.73 0.00 0.00 179.01 177.89 1a9x h ASP 625 N -0.33 1.05 -0.34 1.04 3.32 -1.79 -2.54 116.42 116.83 1a9x h ASP 625 Ca -0.01 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 1a9x h ASP 625 Cb 0.30 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1a9x h ASP 625 CO -0.02 0.91 -0.01 0.58 -1.72 0.00 0.00 179.24 178.99 1a9x h VAL 626 N 1.13 1.26 -0.14 -1.35 2.07 -1.15 -2.75 116.25 115.33 1a9x h VAL 626 Ca 0.27 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1a9x h VAL 626 Cb 0.16 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1a9x h VAL 626 CO -0.03 0.32 -0.10 -0.07 0.02 0.00 0.00 177.57 177.72 1a9x h LEU 627 N 0.41 0.19 -0.91 2.57 3.38 -1.27 0.13 115.31 119.81 1a9x h LEU 627 Ca 0.10 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1a9x h LEU 627 Cb 0.47 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1a9x h LEU 627 CO 0.02 0.32 -0.31 -0.33 0.09 0.00 0.00 178.44 178.24 1a9x h GLU 628 N 0.20 0.44 -0.03 1.13 4.39 -1.24 0.76 114.58 120.23 1a9x h GLU 628 Ca 0.04 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 1a9x h GLU 628 Cb 0.31 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1a9x h GLU 628 CO 0.02 0.70 -0.36 0.82 -1.16 0.00 0.00 179.01 179.03 1a9x h ILE 629 N 0.38 1.47 -0.67 3.13 2.04 -0.97 -3.02 117.51 119.87 1a9x h ILE 629 Ca 0.05 -1.89 0.02 0.00 1.00 0.00 0.00 64.86 64.03 1a9x h ILE 629 Cb 0.73 2.56 -0.04 0.00 -0.74 0.00 0.00 36.82 39.34 1a9x h ILE 629 CO 0.06 0.53 0.45 0.58 0.00 0.00 0.00 178.15 179.77 1a9x h VAL 630 N -0.28 1.14 -0.38 1.67 2.07 -0.71 0.33 116.25 120.09 1a9x h VAL 630 Ca -0.04 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.27 1a9x h VAL 630 Cb 1.06 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 1a9x h VAL 630 CO 0.07 0.16 -0.19 -0.09 0.02 0.00 0.00 177.57 177.54 1a9x h ARG 631 N 0.87 -0.12 0.00 1.57 2.43 -0.79 -0.02 114.38 118.32 1a9x h ARG 631 Ca 0.26 0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 59.20 1a9x h ARG 631 Cb -0.03 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1a9x h ARG 631 CO -0.06 -0.08 -1.43 -0.84 -1.51 0.00 0.00 179.97 176.04 1a9x h ILE 632 N -0.12 0.93 0.03 1.20 3.07 -1.28 -3.39 117.51 117.94 1a9x h ILE 632 Ca 0.19 -2.65 -0.22 0.00 1.55 0.00 0.00 64.86 63.73 1a9x h ILE 632 Cb 0.42 2.41 -0.02 0.00 -0.27 0.00 0.00 36.82 39.36 1a9x h ILE 632 CO -0.46 0.53 -1.05 -0.33 -1.05 0.00 0.00 178.15 175.79 1a9x h GLU 633 N 0.00 0.06 -6.19 0.16 4.39 -0.08 -3.47 114.58 109.45 1a9x h GLU 633 Ca -0.19 -0.11 -0.42 0.00 0.34 0.00 0.00 59.36 58.99 1a9x h GLU 633 Cb 1.83 0.04 0.09 0.00 -0.10 0.00 0.00 28.75 30.61 1a9x h GLU 633 CO 0.08 1.05 -0.92 1.63 -1.16 0.00 0.00 179.01 179.69 1a9x n LYS 634 N -3.40 -1.25 -1.69 2.33 5.02 -0.04 -4.91 118.16 114.22 1a9x n LYS 634 Ca -0.02 0.50 -0.31 0.00 -2.02 0.00 0.00 58.31 56.46 1a9x n LYS 634 Cb 0.96 -4.17 0.04 0.00 -0.02 0.00 0.00 35.03 31.84 1a9x n LYS 634 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1a9x s PRO 635 N -5.83 3.01 0.08 1.97 0.04 -1.26 -4.84 135.00 128.17 1a9x s PRO 635 Ca 0.46 1.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 1a9x s PRO 635 Cb -0.16 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1a9x s PRO 635 CO 0.86 -1.05 1.51 -0.22 0.04 0.00 0.00 177.00 178.14 1a9x h LYS 636 N -0.41 0.44 -3.48 4.56 3.64 -0.88 -3.46 116.57 116.98 1a9x h LYS 636 Ca -0.45 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 58.74 1a9x h LYS 636 Cb 1.21 -0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.88 1a9x h LYS 636 CO 0.57 0.62 -0.10 0.20 -2.27 0.00 0.00 179.45 178.47 1a9x s GLY 637 N -3.15 -0.04 -0.03 5.01 0.00 -1.06 -4.79 107.32 103.26 1a9x s GLY 637 Ca -0.14 -0.31 0.04 0.00 0.00 0.00 0.00 44.72 44.31 1a9x s GLY 637 CO 0.75 -0.42 -0.15 0.14 0.00 0.00 0.00 173.10 173.42 1a9x s VAL 638 N -3.87 1.23 -0.25 1.40 1.01 0.87 -1.70 120.40 119.11 1a9x s VAL 638 Ca 0.08 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1a9x s VAL 638 Cb 0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1a9x s VAL 638 CO -0.06 0.36 0.11 -0.63 0.00 0.00 0.00 175.10 174.88 1a9x s ILE 639 N 0.02 4.74 -0.46 2.22 1.01 0.16 0.25 121.20 129.15 1a9x s ILE 639 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.64 1a9x s ILE 639 Cb -0.10 -3.21 0.04 0.00 0.01 0.00 0.00 42.46 39.20 1a9x s ILE 639 CO 0.01 0.34 0.68 1.33 0.00 0.00 0.00 174.94 177.30 1a9x n VAL 640 N 4.68 0.13 0.99 2.92 0.24 -1.26 -1.88 118.33 124.14 1a9x n VAL 640 Ca -0.16 -0.56 0.12 0.00 -2.04 0.00 0.00 64.34 61.70 1a9x n VAL 640 Cb 0.52 1.01 0.27 0.00 -1.47 0.00 0.00 33.84 34.16 1a9x n VAL 640 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a9x n GLN 641 N 0.17 0.01 0.00 7.34 3.00 -1.26 -3.59 117.38 123.04 1a9x n GLN 641 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.10 1a9x n GLN 641 Cb 0.12 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 28.78 1a9x n GLN 641 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1a9x n TYR 642 N -1.51 0.00 -0.01 1.08 4.02 -1.26 -1.83 117.16 117.65 1a9x n TYR 642 Ca 0.06 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.05 1a9x n TYR 642 Cb 0.34 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 39.94 1a9x n TYR 642 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a9x n GLY 643 N 1.39 1.96 3.20 2.72 0.00 -1.24 -4.37 105.19 108.85 1a9x n GLY 643 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1a9x n GLY 643 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 644 N 1.51 -1.14 0.31 -0.02 0.00 -1.26 -3.83 105.19 100.76 1a9x n GLY 644 Ca 0.21 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 1a9x n GLY 644 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1a9x h GLN 645 N 0.00 0.92 0.00 1.61 1.08 -1.94 -3.05 115.11 113.72 1a9x h GLN 645 Ca 0.00 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1a9x h GLN 645 Cb 0.00 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1a9x h GLN 645 CO 0.00 0.82 0.00 2.41 -0.95 0.00 0.00 178.83 181.11 1a9x n THR 646 N -4.26 0.00 0.30 -0.54 -1.04 -1.26 -1.51 114.28 105.96 1a9x n THR 646 Ca 0.04 1.38 0.17 0.00 -2.04 0.00 0.00 64.05 63.61 1a9x n THR 646 Cb 0.23 -2.07 0.73 0.00 -1.82 0.00 0.00 70.33 67.41 1a9x n THR 646 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1a9x h PRO 647 N 0.00 0.00 -0.87 -2.82 0.13 -1.76 -2.60 132.00 124.08 1a9x h PRO 647 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1a9x h PRO 647 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1a9x h PRO 647 CO 0.00 0.00 0.51 1.25 -0.23 0.00 0.00 178.00 179.53 1a9x h LEU 648 N 0.00 1.05 -0.20 1.56 5.85 -1.27 -2.61 115.31 119.70 1a9x h LEU 648 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1a9x h LEU 648 Cb 0.42 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1a9x h LEU 648 CO 0.00 0.82 0.00 0.29 -0.34 0.00 0.00 178.44 179.21 1a9x n LYS 649 N -4.35 0.09 0.00 1.25 5.02 -0.57 -2.80 118.16 116.79 1a9x n LYS 649 Ca 0.09 0.25 0.11 0.00 -2.02 0.00 0.00 58.31 56.74 1a9x n LYS 649 Cb 0.08 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1a9x n LYS 649 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a9x n LEU 650 N -1.80 0.76 -0.00 -0.35 4.77 -0.99 -4.67 117.00 114.72 1a9x n LEU 650 Ca 0.04 -0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 55.63 1a9x n LEU 650 Cb 0.25 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1a9x n LEU 650 CO 0.20 0.17 0.58 0.00 -1.33 0.00 0.00 177.39 177.01 1a9x h ALA 651 N 2.88 -0.61 0.06 -1.18 0.00 -1.49 0.39 119.26 119.31 1a9x h ALA 651 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a9x h ALA 651 Cb 0.56 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1a9x h ALA 651 CO 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 179.25 178.28 1a9x h ARG 652 N -0.50 -0.08 -0.83 0.00 3.08 -1.83 -1.43 114.38 112.80 1a9x h ARG 652 Ca 0.07 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.22 1a9x h ARG 652 Cb 0.63 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.63 1a9x h ARG 652 CO -0.40 0.05 0.48 0.00 -1.07 0.00 0.00 179.97 179.03 1a9x h ALA 653 N 0.74 1.18 -0.62 0.04 0.00 -1.81 0.33 119.26 119.12 1a9x h ALA 653 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1a9x h ALA 653 Cb 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1a9x h ALA 653 CO 0.01 0.11 0.22 -0.07 0.00 0.00 0.00 179.25 179.52 1a9x h LEU 654 N 0.80 0.88 -0.41 0.00 3.38 -0.02 -1.57 115.31 118.37 1a9x h LEU 654 Ca 0.40 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 1a9x h LEU 654 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1a9x h LEU 654 CO -0.24 0.84 -0.28 -0.08 0.09 0.00 0.00 178.44 178.76 1a9x h GLU 655 N 0.88 0.91 -0.59 1.13 4.81 -0.19 0.76 114.58 122.28 1a9x h GLU 655 Ca 0.20 -0.44 0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1a9x h GLU 655 Cb 0.25 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 1a9x h GLU 655 CO -0.01 1.09 0.21 0.00 -0.73 0.00 0.00 179.01 179.57 1a9x h ALA 656 N 0.80 0.76 0.00 2.92 0.00 -0.11 0.28 119.26 123.91 1a9x h ALA 656 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1a9x h ALA 656 Cb 0.87 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1a9x h ALA 656 CO 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1a9x n ALA 657 N -2.47 2.25 -0.96 0.00 0.00 -0.62 -4.87 120.51 113.84 1a9x n ALA 657 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1a9x n ALA 657 Cb 0.27 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1a9x n ALA 657 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 658 N 0.28 0.49 3.74 0.00 0.00 0.98 -5.03 105.19 105.65 1a9x n GLY 658 Ca 0.07 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1a9x n GLY 658 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 659 N -2.00 3.41 -1.21 1.61 1.01 0.24 -4.93 120.40 118.54 1a9x s VAL 659 Ca 0.00 1.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.96 1a9x s VAL 659 Cb 0.00 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.70 1a9x s VAL 659 CO 0.00 0.18 1.64 -2.16 0.00 0.00 0.00 175.10 174.76 1a9x s PRO 660 N -0.17 3.87 -0.03 2.72 0.04 -1.26 -4.38 135.00 135.78 1a9x s PRO 660 Ca 0.55 -1.75 -0.30 0.00 0.04 0.00 0.00 61.00 59.53 1a9x s PRO 660 Cb -0.34 -5.47 -0.04 0.00 0.04 0.00 0.00 34.50 28.69 1a9x s PRO 660 CO 0.37 -2.23 1.23 0.08 0.04 0.00 0.00 177.00 176.50 1a9x s VAL 661 N 4.36 4.14 0.37 -0.36 1.01 -1.26 -0.09 120.40 128.57 1a9x s VAL 661 Ca 0.51 1.48 0.07 0.00 0.00 0.00 0.00 61.98 64.05 1a9x s VAL 661 Cb 0.03 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1a9x s VAL 661 CO 0.02 0.01 0.50 0.27 0.00 0.00 0.00 175.10 175.90 1a9x s ILE 662 N 2.13 3.66 0.00 2.22 -4.36 0.14 -4.80 121.20 120.19 1a9x s ILE 662 Ca 0.57 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.95 1a9x s ILE 662 Cb -0.26 -3.25 0.00 0.00 1.25 0.00 0.00 42.46 40.19 1a9x s ILE 662 CO 0.23 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.92 1a9x n GLY 663 N -1.71 -0.74 3.67 6.27 0.00 -1.26 -4.68 105.19 106.75 1a9x n GLY 663 Ca 0.03 -1.15 -0.51 0.00 0.00 0.00 0.00 46.02 44.38 1a9x n GLY 663 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a9x n THR 664 N 0.00 0.31 -1.64 2.61 -1.04 -0.42 -4.76 114.28 109.33 1a9x n THR 664 Ca 0.00 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 61.58 1a9x n THR 664 Cb 0.00 -1.46 0.05 0.00 -1.82 0.00 0.00 70.33 67.10 1a9x n THR 664 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1a9x n SER 665 N 5.04 1.12 -0.17 8.00 3.41 -1.26 -4.80 113.62 124.96 1a9x n SER 665 Ca 0.22 0.82 0.05 0.00 -0.26 0.00 0.00 58.87 59.71 1a9x n SER 665 Cb 0.23 -1.43 0.34 0.00 -0.26 0.00 0.00 64.21 63.09 1a9x n SER 665 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1a9x h PRO 666 N 0.57 0.77 -0.43 4.33 0.11 -1.91 0.79 132.00 136.22 1a9x h PRO 666 Ca -0.49 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1a9x h PRO 666 Cb 1.36 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1a9x h PRO 666 CO 0.52 0.51 0.17 0.22 -0.21 0.00 0.00 178.00 179.21 1a9x h ASP 667 N 0.79 0.60 -0.63 -2.05 3.58 -1.96 -1.43 116.42 115.32 1a9x h ASP 667 Ca 0.29 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1a9x h ASP 667 Cb 0.16 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1a9x h ASP 667 CO -0.09 0.60 0.37 0.00 -2.88 0.00 0.00 179.24 177.24 1a9x h ALA 668 N 1.02 0.80 -0.67 -0.78 0.00 -1.50 0.11 119.26 118.23 1a9x h ALA 668 Ca 0.14 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1a9x h ALA 668 Cb 0.19 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1a9x h ALA 668 CO -0.01 0.28 0.40 0.82 0.00 0.00 0.00 179.25 180.74 1a9x h ILE 669 N 0.85 1.02 -0.52 0.00 2.04 -0.69 -1.94 117.51 118.26 1a9x h ILE 669 Ca 0.22 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 1a9x h ILE 669 Cb -0.01 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1a9x h ILE 669 CO -0.04 0.14 -0.06 -0.78 0.00 0.00 0.00 178.15 177.41 1a9x h ASP 670 N 0.75 0.92 -0.91 1.72 3.58 -0.47 0.58 116.42 122.60 1a9x h ASP 670 Ca 0.29 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1a9x h ASP 670 Cb 0.11 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 1a9x h ASP 670 CO -0.15 1.01 0.58 0.03 -2.88 0.00 0.00 179.24 177.84 1a9x h ARG 671 N 0.85 1.21 0.12 0.28 2.47 -0.13 0.51 114.38 119.69 1a9x h ARG 671 Ca 0.15 -0.09 -0.25 0.00 -1.26 0.00 0.00 59.98 58.53 1a9x h ARG 671 Cb 0.59 -0.27 0.03 0.00 -1.65 0.00 0.00 29.97 28.66 1a9x h ARG 671 CO 0.04 0.82 -1.03 0.00 0.56 0.00 0.00 179.97 180.36 1a9x h ALA 672 N 1.32 -0.03 0.00 0.04 0.00 -0.89 -2.58 119.26 117.12 1a9x h ALA 672 Ca 0.33 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1a9x h ALA 672 Cb -0.11 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1a9x h ALA 672 CO -0.07 0.54 -0.30 0.93 0.00 0.00 0.00 179.25 180.35 1a9x h GLU 673 N 0.02 0.00 -5.69 0.00 4.39 0.55 -3.42 114.58 110.42 1a9x h GLU 673 Ca -0.16 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 58.91 1a9x h GLU 673 Cb 1.75 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 30.28 1a9x h GLU 673 CO 0.20 0.30 0.30 0.34 -1.16 0.00 0.00 179.01 178.99 1a9x s ASP 674 N -6.34 6.45 0.27 1.42 -1.08 0.18 -4.92 116.67 112.65 1a9x s ASP 674 Ca 0.00 0.07 -0.03 0.00 -0.52 0.00 0.00 52.55 52.07 1a9x s ASP 674 Cb 0.11 -2.37 0.58 0.00 -1.46 0.00 0.00 42.92 39.77 1a9x s ASP 674 CO 0.66 -0.78 1.61 0.03 0.52 0.00 0.00 175.17 177.21 1a9x h ARG 675 N 8.71 0.07 0.11 4.34 -0.00 -1.86 1.68 114.38 127.43 1a9x h ARG 675 Ca -0.25 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.22 1a9x h ARG 675 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.05 1a9x h ARG 675 CO 0.91 0.05 -0.05 1.49 0.00 0.00 0.00 179.97 182.37 1a9x h GLU 676 N 0.07 -0.15 -0.98 0.04 4.81 -1.92 0.83 114.58 117.28 1a9x h GLU 676 Ca 0.50 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.79 1a9x h GLU 676 Cb 0.94 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 1a9x h GLU 676 CO -0.78 0.16 0.64 0.00 -0.73 0.00 0.00 179.01 178.30 1a9x h ARG 677 N -0.46 1.14 -0.04 1.92 2.47 -1.38 -2.23 114.38 115.80 1a9x h ARG 677 Ca -0.02 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1a9x h ARG 677 Cb 0.38 -0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1a9x h ARG 677 CO 0.03 0.76 0.00 0.35 0.56 0.00 0.00 179.97 181.66 1a9x h PHE 678 N 1.18 0.07 -0.93 3.04 3.57 0.29 -2.84 116.94 121.31 1a9x h PHE 678 Ca 0.41 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.06 1a9x h PHE 678 Cb 0.11 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.76 1a9x h PHE 678 CO -0.00 0.34 0.59 1.96 -2.23 0.00 0.00 178.31 178.98 1a9x h GLN 679 N -0.23 0.66 -0.16 1.11 4.20 0.11 -1.90 115.11 118.90 1a9x h GLN 679 Ca 0.01 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 1a9x h GLN 679 Cb 0.32 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1a9x h GLN 679 CO 0.00 0.44 -0.57 0.45 -0.67 0.00 0.00 178.83 178.48 1a9x h HIS 680 N 0.68 0.64 -0.63 2.96 3.86 -1.29 -1.82 115.15 119.55 1a9x h HIS 680 Ca 0.48 -0.23 -0.08 0.00 -1.16 0.00 0.00 60.37 59.38 1a9x h HIS 680 Cb 0.82 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 1a9x h HIS 680 CO -0.00 0.96 0.08 0.00 0.86 0.00 0.00 177.93 179.82 1a9x h ALA 681 N 0.99 0.84 0.03 2.45 0.00 -1.13 0.33 119.26 122.78 1a9x h ALA 681 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1a9x h ALA 681 Cb 1.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1a9x h ALA 681 CO 0.10 0.63 -0.06 0.28 0.00 0.00 0.00 179.25 180.21 1a9x h VAL 682 N 0.98 0.86 -0.42 0.00 2.07 -1.32 0.30 116.25 118.72 1a9x h VAL 682 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1a9x h VAL 682 Cb 0.47 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1a9x h VAL 682 CO 0.02 0.00 0.09 -0.33 0.02 0.00 0.00 177.57 177.36 1a9x h GLU 683 N -0.12 0.21 -0.66 1.57 5.08 -1.11 0.24 114.58 119.80 1a9x h GLU 683 Ca 0.01 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1a9x h GLU 683 Cb 0.13 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 1a9x h GLU 683 CO -0.04 0.14 0.32 -0.09 -1.00 0.00 0.00 179.01 178.34 1a9x h ARG 684 N 0.22 0.55 0.00 2.33 2.43 0.55 0.13 114.38 120.59 1a9x h ARG 684 Ca 0.20 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1a9x h ARG 684 Cb 0.24 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1a9x h ARG 684 CO -0.26 0.36 0.00 1.28 -1.51 0.00 0.00 179.97 179.84 1a9x n LEU 685 N -4.88 0.68 -1.09 3.80 4.77 0.98 -4.89 117.00 116.37 1a9x n LEU 685 Ca 0.09 0.63 -0.11 0.00 -0.03 0.00 0.00 56.01 56.59 1a9x n LEU 685 Cb 0.24 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1a9x n LEU 685 CO 0.26 -0.41 -0.13 0.29 -1.33 0.00 0.00 177.39 176.07 1a9x n LYS 686 N -2.20 -0.82 -2.19 3.23 5.02 0.75 -5.01 118.16 116.94 1a9x n LYS 686 Ca 0.03 0.63 -0.28 0.00 -2.02 0.00 0.00 58.31 56.68 1a9x n LYS 686 Cb 0.30 -4.68 0.17 0.00 -0.02 0.00 0.00 35.03 30.80 1a9x n LYS 686 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a9x s LEU 687 N -2.86 2.82 -0.14 -0.35 1.43 -0.51 -5.01 118.68 114.05 1a9x s LEU 687 Ca 0.00 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1a9x s LEU 687 Cb 0.00 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1a9x s LEU 687 CO 0.00 -2.53 -0.13 -0.75 0.23 0.00 0.00 176.35 173.17 1a9x s LYS 688 N -5.66 3.38 0.06 1.70 2.20 -1.26 -4.70 119.74 115.46 1a9x s LYS 688 Ca 0.73 -0.68 0.03 0.00 -0.36 0.00 0.00 55.97 55.69 1a9x s LYS 688 Cb -0.03 -2.65 -0.03 0.00 -1.51 0.00 0.00 37.83 33.61 1a9x s LYS 688 CO 0.50 0.19 -0.10 -1.14 -0.36 0.00 0.00 175.35 174.44 1a9x s GLN 689 N 0.42 0.64 0.68 4.03 0.74 -1.26 -0.64 119.66 124.27 1a9x s GLN 689 Ca -0.10 -0.86 -0.16 0.00 0.05 0.00 0.00 55.36 54.30 1a9x s GLN 689 Cb -0.16 -0.46 0.01 0.00 1.10 0.00 0.00 33.01 33.50 1a9x s GLN 689 CO 0.05 0.09 1.17 -2.14 -0.55 0.00 0.00 175.29 173.91 1a9x s PRO 690 N -1.78 2.54 0.32 1.67 0.02 -1.26 -4.92 135.00 131.58 1a9x s PRO 690 Ca -0.06 1.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.31 1a9x s PRO 690 Cb -0.09 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 1a9x s PRO 690 CO 0.01 -1.50 1.40 0.00 -0.33 0.00 0.00 177.00 176.58 1a9x n ALA 691 N -2.38 1.65 -4.31 -1.55 0.00 -1.26 -4.73 120.51 107.93 1a9x n ALA 691 Ca 0.12 0.37 -0.24 0.00 0.00 0.00 0.00 53.44 53.69 1a9x n ALA 691 Cb 0.51 -2.32 -0.08 0.00 0.00 0.00 0.00 19.45 17.56 1a9x n ALA 691 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1a9x n ASN 692 N 1.28 -0.23 -3.65 0.00 0.23 -1.26 -0.30 115.26 111.33 1a9x n ASN 692 Ca 0.06 -3.18 -0.03 0.00 -0.53 0.00 0.00 54.58 50.90 1a9x n ASN 692 Cb 0.36 1.51 -0.07 0.00 -2.08 0.00 0.00 39.78 39.50 1a9x n ASN 692 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a9x s ALA 693 N -3.29 -2.30 -0.43 -2.53 0.00 0.93 -4.94 121.76 109.20 1a9x s ALA 693 Ca 0.35 1.87 -0.16 0.00 0.00 0.00 0.00 51.96 54.02 1a9x s ALA 693 Cb 0.02 -1.76 0.03 0.00 0.00 0.00 0.00 23.12 21.41 1a9x s ALA 693 CO 0.25 -0.22 0.37 0.99 0.00 0.00 0.00 175.76 177.15 1a9x s THR 694 N 0.52 5.18 -0.10 0.00 2.01 -1.26 0.30 115.64 122.29 1a9x s THR 694 Ca 0.00 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 1a9x s THR 694 Cb -0.04 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1a9x s THR 694 CO -0.12 -0.42 0.01 -0.69 -0.69 0.00 0.00 174.62 172.71 1a9x s VAL 695 N 1.86 4.38 -0.18 3.82 1.01 0.17 -4.94 120.40 126.52 1a9x s VAL 695 Ca 0.07 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1a9x s VAL 695 Cb -0.19 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 1a9x s VAL 695 CO 0.11 0.58 -0.28 0.41 0.00 0.00 0.00 175.10 175.91 1a9x n THR 696 N 2.41 1.48 -3.57 3.92 -1.04 -1.26 -2.05 114.28 114.17 1a9x n THR 696 Ca -0.18 0.12 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 1a9x n THR 696 Cb 0.53 -2.32 -0.04 0.00 -1.82 0.00 0.00 70.33 66.69 1a9x n THR 696 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a9x s ALA 697 N -2.82 3.74 0.08 2.41 0.00 -1.26 -4.84 121.76 119.08 1a9x s ALA 697 Ca -0.26 -0.66 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 1a9x s ALA 697 Cb 0.04 -2.14 -0.11 0.00 0.00 0.00 0.00 23.12 20.91 1a9x s ALA 697 CO 0.38 0.43 1.44 0.82 0.00 0.00 0.00 175.76 178.83 1a9x h ILE 698 N 1.62 0.00 0.00 0.00 5.03 -2.00 -1.75 117.51 120.41 1a9x h ILE 698 Ca -0.47 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.27 1a9x h ILE 698 Cb 1.18 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.97 1a9x h ILE 698 CO 0.68 0.00 0.00 -0.33 -0.68 0.00 0.00 178.15 177.82 1a9x h GLU 699 N -0.57 0.00 0.00 2.37 4.39 -1.99 0.26 114.58 119.03 1a9x h GLU 699 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1a9x h GLU 699 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1a9x h GLU 699 CO -0.25 0.00 -0.48 1.98 -1.16 0.00 0.00 179.01 179.10 1a9x h MET 700 N 0.00 0.00 0.00 2.33 4.05 -1.74 -3.28 114.93 116.29 1a9x h MET 700 Ca 0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 1a9x h MET 700 Cb 0.02 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1a9x h MET 700 CO 0.00 0.21 -0.56 0.00 0.23 0.00 0.00 176.91 176.80 1a9x h ALA 701 N 1.76 0.08 -1.34 0.39 0.00 0.14 -3.14 119.26 117.14 1a9x h ALA 701 Ca -0.02 -0.62 0.40 0.00 0.00 0.00 0.00 54.91 54.67 1a9x h ALA 701 Cb 1.20 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 1a9x h ALA 701 CO 0.03 0.39 0.91 0.28 0.00 0.00 0.00 179.25 180.86 1a9x h VAL 702 N -1.00 0.26 0.00 0.00 2.07 -1.43 2.67 116.25 118.83 1a9x h VAL 702 Ca -0.11 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1a9x h VAL 702 Cb 0.73 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1a9x h VAL 702 CO -0.06 0.02 -0.10 -0.08 0.02 0.00 0.00 177.57 177.36 1a9x h GLU 703 N 0.11 0.00 -1.00 1.57 4.57 -1.72 -3.08 114.58 115.03 1a9x h GLU 703 Ca 0.72 0.00 0.27 0.00 -1.18 0.00 0.00 59.36 59.17 1a9x h GLU 703 Cb 2.48 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 31.00 1a9x h GLU 703 CO -0.21 0.11 0.68 -0.22 -1.18 0.00 0.00 179.01 178.19 1a9x h LYS 704 N -1.00 0.19 -0.41 1.92 1.63 -1.14 0.80 116.57 118.56 1a9x h LYS 704 Ca -0.01 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1a9x h LYS 704 Cb 0.19 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 1a9x h LYS 704 CO -0.00 0.13 0.14 0.00 -3.45 0.00 0.00 179.45 176.26 1a9x h ALA 705 N 1.55 0.54 -0.50 5.00 0.00 0.46 0.15 119.26 126.46 1a9x h ALA 705 Ca 0.51 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1a9x h ALA 705 Cb 1.65 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1a9x h ALA 705 CO -0.12 0.17 0.33 0.87 0.00 0.00 0.00 179.25 180.50 1a9x h LYS 706 N 0.52 0.48 0.72 0.00 6.56 0.64 0.42 116.57 125.90 1a9x h LYS 706 Ca 0.13 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.66 1a9x h LYS 706 Cb 0.24 -0.11 0.01 0.00 -0.57 0.00 0.00 32.23 31.80 1a9x h LYS 706 CO -0.01 0.32 -0.34 0.93 -2.06 0.00 0.00 179.45 178.29 1a9x h GLU 707 N 0.49 -0.93 -0.53 3.15 5.08 0.36 -3.30 114.58 118.91 1a9x h GLU 707 Ca 0.21 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1a9x h GLU 707 Cb 0.21 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1a9x h GLU 707 CO -0.05 -0.60 0.32 0.82 -1.00 0.00 0.00 179.01 178.49 1a9x h ILE 708 N -1.22 1.16 0.00 3.13 2.04 -0.30 -3.50 117.51 118.82 1a9x h ILE 708 Ca -0.10 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1a9x h ILE 708 Cb 0.75 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1a9x h ILE 708 CO 0.16 0.16 0.00 0.61 0.00 0.00 0.00 178.15 179.09 1a9x n GLY 709 N -1.12 1.18 3.92 5.37 0.00 0.14 -4.84 105.19 109.84 1a9x n GLY 709 Ca 0.03 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 1a9x n GLY 709 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 710 N -0.78 3.20 0.87 1.61 1.51 -1.26 -4.48 117.35 118.01 1a9x s TYR 710 Ca 0.00 0.63 -0.12 0.00 -1.01 0.00 0.00 57.07 56.57 1a9x s TYR 710 Cb 0.00 -2.84 0.11 0.00 -0.11 0.00 0.00 41.96 39.12 1a9x s TYR 710 CO 0.00 -0.95 1.17 -1.25 -1.11 0.00 0.00 175.55 173.40 1a9x s PRO 711 N -5.06 1.50 0.02 -1.71 0.04 -1.26 -4.93 135.00 123.59 1a9x s PRO 711 Ca 0.55 0.17 0.07 0.00 0.04 0.00 0.00 61.00 61.83 1a9x s PRO 711 Cb -0.11 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1a9x s PRO 711 CO 0.45 -1.93 -0.20 -0.51 0.04 0.00 0.00 177.00 174.86 1a9x s LEU 712 N -5.81 2.12 -0.99 -3.56 1.02 0.21 -0.22 118.68 111.44 1a9x s LEU 712 Ca 0.63 -0.45 -0.14 0.00 0.02 0.00 0.00 54.13 54.19 1a9x s LEU 712 Cb -0.12 -0.98 0.21 0.00 0.02 0.00 0.00 46.19 45.31 1a9x s LEU 712 CO 0.51 0.19 1.05 -0.69 0.02 0.00 0.00 176.35 177.43 1a9x s VAL 713 N -0.67 5.43 -0.18 -1.59 1.01 -0.08 0.15 120.40 124.48 1a9x s VAL 713 Ca 0.07 -2.56 -0.29 0.00 0.00 0.00 0.00 61.98 59.20 1a9x s VAL 713 Cb -0.08 -4.65 -0.02 0.00 0.00 0.00 0.00 36.38 31.63 1a9x s VAL 713 CO 0.01 -1.27 1.36 -0.69 0.00 0.00 0.00 175.10 174.51 1a9x s VAL 714 N 0.57 4.10 -0.30 2.92 1.01 0.20 -3.66 120.40 125.24 1a9x s VAL 714 Ca 0.29 1.30 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1a9x s VAL 714 Cb -0.08 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.47 1a9x s VAL 714 CO -0.07 -0.20 0.05 -0.60 0.00 0.00 0.00 175.10 174.28 1a9x s ARG 715 N 3.82 1.06 0.06 2.72 3.52 -1.24 0.97 118.95 129.85 1a9x s ARG 715 Ca 0.59 -1.21 -0.34 0.00 -0.13 0.00 0.00 55.73 54.65 1a9x s ARG 715 Cb -0.23 -2.40 -0.18 0.00 -1.56 0.00 0.00 34.95 30.59 1a9x s ARG 715 CO 0.20 -0.88 1.51 0.00 -0.81 0.00 0.00 175.30 175.31 1a9x h ALA 716 N 7.96 -1.25 -3.70 6.12 0.00 -1.94 -2.93 119.26 123.52 1a9x h ALA 716 Ca -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1a9x h ALA 716 Cb 1.03 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1a9x h ALA 716 CO 0.46 -1.21 0.00 0.00 0.00 0.00 0.00 179.25 178.51 1a9x n ALA 724 N -2.67 -1.00 -1.94 0.00 0.00 -1.26 -4.38 120.51 109.27 1a9x n ALA 724 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 1a9x n ALA 724 Cb 0.46 -0.30 0.17 0.00 0.00 0.00 0.00 19.45 19.78 1a9x n ALA 724 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a9x s MET 725 N 0.00 0.81 -0.10 0.00 1.00 -1.26 -5.05 119.30 114.69 1a9x s MET 725 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 55.69 54.89 1a9x s MET 725 Cb 0.00 -1.92 0.08 0.00 0.00 0.00 0.00 34.83 32.99 1a9x s MET 725 CO 0.00 -2.26 0.72 -2.00 0.00 0.00 0.00 175.02 171.48 1a9x s GLU 726 N -5.78 0.97 -0.34 2.03 2.12 0.27 -4.95 118.70 113.02 1a9x s GLU 726 Ca 0.73 0.39 0.04 0.00 0.36 0.00 0.00 54.97 56.49 1a9x s GLU 726 Cb -0.04 0.46 0.10 0.00 0.26 0.00 0.00 34.13 34.91 1a9x s GLU 726 CO 0.52 -0.27 0.06 0.42 -0.54 0.00 0.00 175.26 175.44 1a9x s ILE 727 N -0.87 2.30 -0.05 -3.70 1.01 -1.25 0.62 121.20 119.26 1a9x s ILE 727 Ca -0.08 -2.35 -0.23 0.00 0.00 0.00 0.00 60.65 57.98 1a9x s ILE 727 Cb -0.01 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1a9x s ILE 727 CO 0.07 -0.60 0.70 -0.69 0.00 0.00 0.00 174.94 174.42 1a9x s VAL 728 N 0.89 5.01 -0.06 2.92 1.01 0.40 -4.85 120.40 125.72 1a9x s VAL 728 Ca 0.11 1.44 -0.06 0.00 0.00 0.00 0.00 61.98 63.47 1a9x s VAL 728 Cb -0.19 -4.04 -0.28 0.00 0.00 0.00 0.00 36.38 31.87 1a9x s VAL 728 CO -0.08 0.28 0.60 1.88 0.00 0.00 0.00 175.10 177.78 1a9x h TYR 729 N 6.56 0.52 -4.38 5.22 -1.99 -1.93 0.59 116.97 121.57 1a9x h TYR 729 Ca -0.42 -0.38 -0.36 0.00 2.00 0.00 0.00 58.73 59.57 1a9x h TYR 729 Cb 1.20 -0.02 -0.14 0.00 2.00 0.00 0.00 36.73 39.77 1a9x h TYR 729 CO 0.65 1.60 -0.57 0.16 -0.00 0.00 0.00 178.16 180.00 1a9x s ASP 730 N -7.03 1.07 0.12 3.88 -4.77 -1.26 -4.51 116.67 104.16 1a9x s ASP 730 Ca -0.16 -1.53 -0.26 0.00 -3.30 0.00 0.00 52.55 47.29 1a9x s ASP 730 Cb 0.06 0.41 -0.06 0.00 -1.09 0.00 0.00 42.92 42.25 1a9x s ASP 730 CO 0.82 -0.90 1.63 -0.08 0.70 0.00 0.00 175.17 177.34 1a9x h GLU 731 N 2.35 -0.42 -0.88 2.11 4.81 -1.97 0.21 114.58 120.79 1a9x h GLU 731 Ca -0.33 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1a9x h GLU 731 Cb 1.25 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.66 1a9x h GLU 731 CO 0.49 -0.28 0.57 0.00 -0.73 0.00 0.00 179.01 179.06 1a9x h ALA 732 N 0.34 1.66 -0.27 2.92 0.00 -2.00 0.22 119.26 122.12 1a9x h ALA 732 Ca 0.06 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1a9x h ALA 732 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1a9x h ALA 732 CO -0.23 0.16 0.06 -0.44 0.00 0.00 0.00 179.25 178.80 1a9x h ASP 733 N 0.86 0.03 -0.18 0.00 5.19 -1.57 -1.84 116.42 118.91 1a9x h ASP 733 Ca 0.41 0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.90 1a9x h ASP 733 Cb 0.42 0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.90 1a9x h ASP 733 CO -0.17 0.05 -0.44 0.25 -3.12 0.00 0.00 179.24 175.81 1a9x h LEU 734 N 0.16 -1.40 0.12 1.55 5.85 0.25 0.86 115.31 122.70 1a9x h LEU 734 Ca 0.12 0.19 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1a9x h LEU 734 Cb 0.12 0.57 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1a9x h LEU 734 CO -0.15 -0.43 -0.38 0.03 -0.34 0.00 0.00 178.44 177.17 1a9x h ARG 735 N -0.48 -0.54 -0.79 1.25 3.08 -1.28 -0.67 114.38 114.96 1a9x h ARG 735 Ca 0.08 0.04 0.31 0.00 0.07 0.00 0.00 59.98 60.47 1a9x h ARG 735 Cb 0.63 0.12 -0.14 0.00 0.08 0.00 0.00 29.97 30.66 1a9x h ARG 735 CO -0.44 -0.36 0.34 -2.13 -1.07 0.00 0.00 179.97 176.31 1a9x n ARG 736 N -4.61 -0.05 0.28 0.04 0.63 -0.70 -0.07 116.66 112.17 1a9x n ARG 736 Ca -0.06 1.11 -0.12 0.00 -0.92 0.00 0.00 57.85 57.86 1a9x n ARG 736 Cb 0.30 -1.94 -0.05 0.00 0.45 0.00 0.00 32.46 31.22 1a9x n ARG 736 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1a9x h TYR 737 N 0.00 -0.70 -0.93 -0.14 3.20 0.64 -2.98 116.97 116.06 1a9x h TYR 737 Ca 0.63 -0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.73 1a9x h TYR 737 Cb 1.60 0.23 -0.13 0.00 1.54 0.00 0.00 36.73 39.97 1a9x h TYR 737 CO -0.09 -0.43 0.42 0.74 -1.64 0.00 0.00 178.16 177.15 1a9x h PHE 738 N -1.04 0.69 -0.05 -3.82 0.04 0.44 4.17 116.94 117.36 1a9x h PHE 738 Ca -0.08 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.77 1a9x h PHE 738 Cb 0.58 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.51 1a9x h PHE 738 CO 0.02 -0.10 -0.47 0.37 -0.60 0.00 0.00 178.31 177.53 1a9x h GLN 739 N 0.36 -0.56 -0.13 1.51 4.15 -1.17 -2.62 115.11 116.64 1a9x h GLN 739 Ca 0.61 0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.89 1a9x h GLN 739 Cb 1.24 0.13 0.01 0.00 0.21 0.00 0.00 27.48 29.06 1a9x h GLN 739 CO -0.57 -0.38 -0.59 1.79 -1.93 0.00 0.00 178.83 177.15 1a9x h THR 740 N -0.58 1.33 0.00 2.39 1.35 -1.00 -3.52 112.91 112.88 1a9x h THR 740 Ca 0.04 -1.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 1a9x h THR 740 Cb 0.67 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1a9x h THR 740 CO -0.37 0.57 0.00 0.00 -0.25 0.00 0.00 175.52 175.47 1a9x n ALA 741 N -2.57 0.00 0.00 6.62 0.00 1.36 -5.09 120.51 120.83 1a9x n ALA 741 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1a9x n ALA 741 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1a9x n ALA 741 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1a9x n VAL 750 N 0.00 0.00 -2.92 0.00 0.31 -0.87 -5.03 118.33 109.83 1a9x n VAL 750 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 1a9x n VAL 750 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1a9x n VAL 750 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1a9x s LEU 751 N 0.00 3.81 -0.04 7.52 1.02 -1.11 0.44 118.68 130.33 1a9x s LEU 751 Ca 0.00 0.91 0.00 0.00 0.02 0.00 0.00 54.13 55.06 1a9x s LEU 751 Cb 0.00 -3.80 0.03 0.00 0.02 0.00 0.00 46.19 42.43 1a9x s LEU 751 CO 0.00 -0.42 -0.00 -0.76 0.02 0.00 0.00 176.35 175.19 1a9x s LEU 752 N -4.17 1.01 -0.01 1.79 1.02 0.15 -3.66 118.68 114.81 1a9x s LEU 752 Ca 0.47 -0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.59 1a9x s LEU 752 Cb -0.10 -0.30 -0.00 0.00 0.02 0.00 0.00 46.19 45.81 1a9x s LEU 752 CO 0.37 -0.12 -0.05 -1.81 0.02 0.00 0.00 176.35 174.75 1a9x s ASP 753 N 1.26 0.68 0.09 2.29 1.11 -1.24 -0.05 116.67 120.80 1a9x s ASP 753 Ca -0.06 -0.10 -0.31 0.00 0.18 0.00 0.00 52.55 52.26 1a9x s ASP 753 Cb -0.13 -0.12 -0.07 0.00 1.07 0.00 0.00 42.92 43.67 1a9x s ASP 753 CO -0.02 0.05 1.35 -2.28 1.18 0.00 0.00 175.17 175.45 1a9x s HIS 754 N 0.02 3.22 -0.08 4.23 5.65 0.59 -0.90 115.29 128.02 1a9x s HIS 754 Ca 0.00 1.00 -0.30 0.00 0.25 0.00 0.00 55.06 56.02 1a9x s HIS 754 Cb -0.04 -3.63 -0.03 0.00 -1.18 0.00 0.00 32.58 27.70 1a9x s HIS 754 CO -0.00 -2.17 1.27 0.12 -0.65 0.00 0.00 174.74 173.30 1a9x s PHE 755 N 1.30 2.99 -1.02 3.88 5.36 0.69 -4.77 117.98 126.41 1a9x s PHE 755 Ca 0.63 1.05 -0.21 0.00 -0.96 0.00 0.00 56.93 57.45 1a9x s PHE 755 Cb -0.34 -3.50 0.08 0.00 -0.34 0.00 0.00 43.02 38.92 1a9x s PHE 755 CO 0.29 -1.69 1.37 -0.51 -1.46 0.00 0.00 175.22 173.22 1a9x s LEU 756 N 2.71 4.10 0.51 6.12 1.43 -1.26 -4.55 118.68 127.75 1a9x s LEU 756 Ca 0.57 -1.79 -0.23 0.00 -1.03 0.00 0.00 54.13 51.65 1a9x s LEU 756 Cb -0.25 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.40 1a9x s LEU 756 CO 0.20 -1.30 1.33 -0.62 0.23 0.00 0.00 176.35 176.19 1a9x s ASP 757 N 4.39 5.57 -1.25 2.29 -1.08 -1.26 -3.80 116.67 121.52 1a9x s ASP 757 Ca 0.42 2.70 -0.28 0.00 -0.52 0.00 0.00 52.55 54.87 1a9x s ASP 757 Cb -0.01 -2.63 0.03 0.00 -1.46 0.00 0.00 42.92 38.85 1a9x s ASP 757 CO -0.08 -1.36 0.61 0.47 0.52 0.00 0.00 175.17 175.32 1a9x n ASP 758 N -0.75 -3.54 -4.35 -0.34 8.00 -1.26 -4.98 116.55 109.32 1a9x n ASP 758 Ca 0.09 -1.26 -0.21 0.00 0.71 0.00 0.00 54.79 54.12 1a9x n ASP 758 Cb 0.45 -1.88 -0.11 0.00 -0.02 0.00 0.00 41.12 39.57 1a9x n ASP 758 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a9x s ALA 759 N -3.64 2.10 -0.03 2.24 0.00 -1.25 -4.84 121.76 116.35 1a9x s ALA 759 Ca 0.42 -1.61 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 1a9x s ALA 759 Cb -0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1a9x s ALA 759 CO 0.96 0.17 0.41 0.08 0.00 0.00 0.00 175.76 177.38 1a9x s VAL 760 N -2.52 5.06 -0.05 0.00 1.01 -0.26 -2.11 120.40 121.55 1a9x s VAL 760 Ca 0.20 0.85 -0.03 0.00 0.00 0.00 0.00 61.98 63.00 1a9x s VAL 760 Cb -0.03 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1a9x s VAL 760 CO 0.08 0.53 0.12 -0.70 0.00 0.00 0.00 175.10 175.13 1a9x s GLU 761 N -0.71 3.29 0.03 2.72 2.12 -1.26 -0.02 118.70 124.87 1a9x s GLU 761 Ca 0.24 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.25 1a9x s GLU 761 Cb -0.16 -3.03 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 1a9x s GLU 761 CO 0.12 0.70 -0.04 0.08 -0.54 0.00 0.00 175.26 175.58 1a9x s VAL 762 N -1.16 0.25 0.00 3.70 1.01 -0.88 -0.90 120.40 122.42 1a9x s VAL 762 Ca 0.21 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 61.15 1a9x s VAL 762 Cb -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1a9x s VAL 762 CO 0.12 -0.55 -0.20 -1.81 0.00 0.00 0.00 175.10 172.66 1a9x s ASP 763 N -1.73 2.38 -0.08 3.32 1.11 -0.55 -1.58 116.67 119.53 1a9x s ASP 763 Ca -0.11 -0.42 0.01 0.00 0.18 0.00 0.00 52.55 52.21 1a9x s ASP 763 Cb -0.07 -0.24 0.02 0.00 1.07 0.00 0.00 42.92 43.70 1a9x s ASP 763 CO -0.02 0.21 -0.07 -0.69 1.18 0.00 0.00 175.17 175.78 1a9x s VAL 764 N -0.58 0.86 -0.14 -1.27 1.01 0.21 -1.02 120.40 119.47 1a9x s VAL 764 Ca 0.08 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1a9x s VAL 764 Cb -0.08 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1a9x s VAL 764 CO 0.00 0.32 0.14 -1.81 0.00 0.00 0.00 175.10 173.75 1a9x s ASP 765 N 1.25 6.35 0.28 3.32 1.01 -0.38 -0.36 116.67 128.13 1a9x s ASP 765 Ca -0.04 0.41 -0.12 0.00 0.71 0.00 0.00 52.55 53.51 1a9x s ASP 765 Cb -0.14 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1a9x s ASP 765 CO -0.02 0.35 0.53 0.00 0.21 0.00 0.00 175.17 176.23 1a9x s ALA 766 N -0.69 -0.22 -0.06 5.23 0.00 -0.22 0.42 121.76 126.23 1a9x s ALA 766 Ca 0.13 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1a9x s ALA 766 Cb -0.12 1.03 0.01 0.00 0.00 0.00 0.00 23.12 24.05 1a9x s ALA 766 CO 0.03 -0.87 -0.11 0.42 0.00 0.00 0.00 175.76 175.22 1a9x s ILE 767 N -3.71 1.02 -0.07 0.00 1.01 0.13 -0.59 121.20 119.00 1a9x s ILE 767 Ca 0.22 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.50 1a9x s ILE 767 Cb -0.01 -0.94 -0.00 0.00 0.01 0.00 0.00 42.46 41.51 1a9x s ILE 767 CO 0.11 0.33 -0.22 0.00 0.00 0.00 0.00 174.94 175.16 1a9x n ASP 769 N 3.23 3.29 0.00 0.00 5.68 -0.84 -1.59 116.55 126.32 1a9x n ASP 769 Ca -0.18 -2.99 0.00 0.00 -0.50 0.00 0.00 54.79 51.11 1a9x n ASP 769 Cb 0.52 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1a9x n ASP 769 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9x n GLY 770 N -0.80 2.92 0.13 6.12 0.00 -1.26 -4.68 105.19 107.61 1a9x n GLY 770 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1a9x n GLY 770 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a9x n GLU 771 N -0.95 0.50 -4.04 1.61 1.02 -1.26 -5.05 120.64 112.46 1a9x n GLU 771 Ca 0.00 0.13 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 1a9x n GLU 771 Cb 0.00 -1.39 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 1a9x n GLU 771 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x s MET 772 N -2.40 1.15 -0.12 3.49 0.23 -1.26 -5.13 119.30 115.25 1a9x s MET 772 Ca -0.28 -1.31 0.00 0.00 -1.03 0.00 0.00 55.69 53.08 1a9x s MET 772 Cb 0.08 0.34 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 1a9x s MET 772 CO 0.46 -0.40 -0.13 0.08 -2.03 0.00 0.00 175.02 172.99 1a9x s VAL 773 N -4.02 3.06 -0.25 5.16 1.01 -1.26 -1.98 120.40 122.13 1a9x s VAL 773 Ca 0.22 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1a9x s VAL 773 Cb 0.04 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1a9x s VAL 773 CO 0.03 0.53 0.01 -0.22 0.00 0.00 0.00 175.10 175.45 1a9x s LEU 774 N 0.23 3.27 -0.34 3.92 2.96 0.76 -4.97 118.68 124.51 1a9x s LEU 774 Ca -0.09 -0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 53.08 1a9x s LEU 774 Cb -0.15 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.75 1a9x s LEU 774 CO 0.05 -0.07 1.04 -0.63 -1.32 0.00 0.00 176.35 175.42 1a9x s ILE 775 N 1.50 4.50 -0.03 6.68 -1.09 -1.26 0.23 121.20 131.73 1a9x s ILE 775 Ca 0.05 1.56 -0.21 0.00 -2.23 0.00 0.00 60.65 59.81 1a9x s ILE 775 Cb -0.15 -4.41 -0.29 0.00 -1.58 0.00 0.00 42.46 36.02 1a9x s ILE 775 CO -0.00 -0.53 0.95 1.23 -1.23 0.00 0.00 174.94 175.35 1a9x h GLY 776 N 10.17 0.37 -4.70 6.18 0.00 -0.37 -3.39 103.07 111.33 1a9x h GLY 776 Ca -0.21 -0.86 0.14 0.00 0.00 0.00 0.00 47.33 46.40 1a9x h GLY 776 CO 1.03 0.76 0.70 -0.32 0.00 0.00 0.00 176.54 178.70 1a9x s GLY 777 N -4.34 -0.12 -0.26 4.60 0.00 -1.09 -4.66 107.32 101.46 1a9x s GLY 777 Ca -0.13 2.39 -0.02 0.00 0.00 0.00 0.00 44.72 46.96 1a9x s GLY 777 CO 0.83 1.12 -0.05 -0.42 0.00 0.00 0.00 173.10 174.58 1a9x s ILE 778 N -0.99 2.93 -0.17 0.90 1.01 -1.26 -1.25 121.20 122.36 1a9x s ILE 778 Ca 0.02 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1a9x s ILE 778 Cb -0.01 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1a9x s ILE 778 CO -0.03 0.16 -0.19 -0.04 0.00 0.00 0.00 174.94 174.85 1a9x s MET 779 N 1.32 3.05 -0.15 2.79 -1.94 -0.19 -4.00 119.30 120.19 1a9x s MET 779 Ca -0.00 -0.81 -0.23 0.00 -1.71 0.00 0.00 55.69 52.94 1a9x s MET 779 Cb -0.17 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 1a9x s MET 779 CO -0.04 -0.15 0.70 -2.00 -0.01 0.00 0.00 175.02 173.53 1a9x s GLU 780 N 1.16 4.31 0.38 2.03 2.12 0.11 -1.49 118.70 127.32 1a9x s GLU 780 Ca 0.01 0.80 -0.16 0.00 0.36 0.00 0.00 54.97 55.98 1a9x s GLU 780 Cb -0.14 -3.53 -0.09 0.00 0.26 0.00 0.00 34.13 30.63 1a9x s GLU 780 CO -0.09 -0.16 0.83 -1.01 -0.54 0.00 0.00 175.26 174.30 1a9x s HIS 781 N 1.59 3.37 -0.05 5.30 3.76 -0.08 0.07 115.29 129.24 1a9x s HIS 781 Ca 0.34 1.34 -0.16 0.00 -0.15 0.00 0.00 55.06 56.43 1a9x s HIS 781 Cb -0.17 -2.64 -0.10 0.00 1.11 0.00 0.00 32.58 30.78 1a9x s HIS 781 CO 0.13 -0.04 0.64 0.82 -0.85 0.00 0.00 174.74 175.45 1a9x h ILE 782 N 1.74 0.34 -3.68 0.60 5.03 -1.45 -3.42 117.51 116.67 1a9x h ILE 782 Ca -0.48 -0.88 -0.52 0.00 -0.12 0.00 0.00 64.86 62.86 1a9x h ILE 782 Cb 1.18 0.58 0.05 0.00 -3.03 0.00 0.00 36.82 35.60 1a9x h ILE 782 CO 0.63 0.09 0.65 -1.61 -0.68 0.00 0.00 178.15 177.24 1a9x s GLU 783 N -3.11 4.37 1.00 2.37 8.01 -1.26 -4.64 118.70 125.43 1a9x s GLU 783 Ca -0.09 2.17 -0.12 0.00 0.01 0.00 0.00 54.97 56.93 1a9x s GLU 783 Cb 0.00 -3.11 0.19 0.00 -4.31 0.00 0.00 34.13 26.90 1a9x s GLU 783 CO 0.30 -0.21 1.09 1.14 0.01 0.00 0.00 175.26 177.59 1a9x s GLN 784 N -1.16 0.41 0.31 1.61 0.00 -1.26 -4.49 119.66 115.09 1a9x s GLN 784 Ca 0.52 0.56 -0.29 0.00 -0.00 0.00 0.00 55.36 56.15 1a9x s GLN 784 Cb -0.39 -1.73 -0.12 0.00 0.00 0.00 0.00 33.01 30.77 1a9x s GLN 784 CO 0.47 -2.75 1.50 0.00 0.00 0.00 0.00 175.29 174.51 1a9x n ALA 785 N -4.20 2.12 0.00 2.60 0.00 -0.90 -1.92 120.51 118.22 1a9x n ALA 785 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1a9x n ALA 785 Cb 0.57 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1a9x n ALA 785 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 786 N 1.56 2.33 3.39 0.00 0.00 -1.26 -4.76 105.19 106.46 1a9x n GLY 786 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1a9x n GLY 786 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 787 N -2.10 4.11 0.16 1.61 1.01 -0.81 -1.14 120.40 123.25 1a9x s VAL 787 Ca 0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 1a9x s VAL 787 Cb 0.00 -3.00 -0.17 0.00 0.00 0.00 0.00 36.38 33.20 1a9x s VAL 787 CO 0.00 0.23 0.79 1.57 0.00 0.00 0.00 175.10 177.69 1a9x n HIS 788 N 4.90 0.19 0.08 5.22 -0.00 0.11 -4.76 115.22 120.96 1a9x n HIS 788 Ca -0.16 0.93 0.15 0.00 0.46 0.00 0.00 57.72 59.10 1a9x n HIS 788 Cb 0.50 -2.06 0.66 0.00 -0.12 0.00 0.00 29.99 28.96 1a9x n HIS 788 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1a9x h SER 789 N 1.90 0.03 1.16 0.26 4.64 -1.91 -0.88 113.55 118.75 1a9x h SER 789 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1a9x h SER 789 Cb 1.41 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1a9x h SER 789 CO 0.61 0.02 0.00 1.23 -0.87 0.00 0.00 176.83 177.82 1a9x h GLY 790 N 0.03 0.00 -1.67 -0.77 0.00 -1.98 -2.67 103.07 96.01 1a9x h GLY 790 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1a9x h GLY 790 CO -0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.75 1a9x n ASP 791 N -2.90 2.94 -4.90 0.19 9.92 -0.39 -4.67 116.55 116.74 1a9x n ASP 791 Ca 0.02 -1.86 -0.33 0.00 -0.53 0.00 0.00 54.79 52.09 1a9x n ASP 791 Cb 0.34 -0.18 -0.05 0.00 -0.64 0.00 0.00 41.12 40.59 1a9x n ASP 791 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1a9x s SER 792 N -1.21 6.41 0.52 -2.24 0.01 -0.89 -4.83 113.70 111.48 1a9x s SER 792 Ca 0.28 0.41 -0.13 0.00 1.31 0.00 0.00 55.95 57.83 1a9x s SER 792 Cb 0.16 -2.03 -0.06 0.00 0.21 0.00 0.00 66.02 64.31 1a9x s SER 792 CO 0.23 0.22 0.94 0.00 0.41 0.00 0.00 173.24 175.04 1a9x s ALA 793 N -1.39 3.16 0.19 1.44 0.00 -1.26 -4.68 121.76 119.22 1a9x s ALA 793 Ca 0.30 -0.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 1a9x s ALA 793 Cb -0.13 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1a9x s ALA 793 CO 0.21 -0.34 0.46 0.00 0.00 0.00 0.00 175.76 176.09 1a9x s SER 795 N -2.91 2.01 -0.15 0.00 0.15 0.11 0.07 113.70 112.98 1a9x s SER 795 Ca 0.12 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.41 1a9x s SER 795 Cb 0.00 -0.21 0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1a9x s SER 795 CO -0.01 0.18 -0.04 -0.22 1.20 0.00 0.00 173.24 174.36 1a9x s LEU 796 N -0.58 1.38 0.90 3.45 0.20 -0.18 -0.72 118.68 123.13 1a9x s LEU 796 Ca 0.06 -0.56 -0.13 0.00 0.69 0.00 0.00 54.13 54.19 1a9x s LEU 796 Cb -0.07 -0.80 0.17 0.00 -0.43 0.00 0.00 46.19 45.06 1a9x s LEU 796 CO -0.00 -0.19 1.25 -2.84 -0.29 0.00 0.00 176.35 174.28 1a9x s PRO 797 N 1.71 1.00 0.41 0.98 0.02 -1.26 -0.39 135.00 137.47 1a9x s PRO 797 Ca 0.02 -0.41 -0.24 0.00 0.02 0.00 0.00 61.00 60.39 1a9x s PRO 797 Cb -0.15 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.34 1a9x s PRO 797 CO -0.07 -2.15 0.95 0.00 -0.33 0.00 0.00 177.00 175.40 1a9x n ALA 798 N -3.57 -0.06 0.76 -1.55 0.00 -1.25 -4.78 120.51 110.05 1a9x n ALA 798 Ca 0.14 0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.89 1a9x n ALA 798 Cb 0.60 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1a9x n ALA 798 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1a9x n TYR 799 N -0.50 0.00 -0.07 0.00 4.11 -1.26 -4.66 117.16 114.78 1a9x n TYR 799 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 1a9x n TYR 799 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 1a9x n TYR 799 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1a9x n THR 800 N -0.52 0.00 -2.55 -3.48 -2.24 -1.26 -5.09 114.28 99.14 1a9x n THR 800 Ca 0.06 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 1a9x n THR 800 Cb 0.32 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 1a9x n THR 800 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a9x s LEU 801 N 0.00 4.47 0.58 3.22 1.43 -1.26 -5.00 118.68 122.12 1a9x s LEU 801 Ca 0.00 2.02 -0.21 0.00 -1.03 0.00 0.00 54.13 54.91 1a9x s LEU 801 Cb 0.00 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1a9x s LEU 801 CO 0.00 -0.22 1.34 -1.54 0.23 0.00 0.00 176.35 176.15 1a9x n SER 802 N 2.66 2.50 0.25 2.29 3.41 -1.26 -4.84 113.62 118.63 1a9x n SER 802 Ca 0.03 0.94 0.08 0.00 -0.26 0.00 0.00 58.87 59.66 1a9x n SER 802 Cb 0.47 -1.57 0.63 0.00 -0.26 0.00 0.00 64.21 63.47 1a9x n SER 802 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1a9x h GLN 803 N 1.18 0.00 0.41 4.33 5.75 -1.98 -2.03 115.11 122.77 1a9x h GLN 803 Ca -0.51 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 57.97 1a9x h GLN 803 Cb 1.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1a9x h GLN 803 CO 0.56 0.07 -0.20 1.49 -2.65 0.00 0.00 178.83 178.10 1a9x h GLU 804 N 0.00 -0.53 0.00 1.69 4.81 -2.00 0.15 114.58 118.70 1a9x h GLU 804 Ca -0.00 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1a9x h GLU 804 Cb 0.13 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1a9x h GLU 804 CO 0.01 -0.32 -0.17 0.97 -0.73 0.00 0.00 179.01 178.77 1a9x h ILE 805 N -0.61 0.44 0.00 2.32 2.10 -1.84 -1.80 117.51 118.12 1a9x h ILE 805 Ca -0.06 -0.95 -0.11 0.00 1.08 0.00 0.00 64.86 64.83 1a9x h ILE 805 Cb 0.45 1.68 -0.02 0.00 -1.09 0.00 0.00 36.82 37.85 1a9x h ILE 805 CO 0.09 0.17 -0.51 1.56 -1.08 0.00 0.00 178.15 178.38 1a9x h GLN 806 N 0.00 0.00 -0.22 2.19 4.20 -1.00 -2.08 115.11 118.19 1a9x h GLN 806 Ca -0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1a9x h GLN 806 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1a9x h GLN 806 CO 0.02 0.51 -0.44 -0.44 -0.67 0.00 0.00 178.83 177.81 1a9x h ASP 807 N 0.00 0.60 -0.62 1.46 3.32 0.19 -0.71 116.42 120.66 1a9x h ASP 807 Ca -0.01 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1a9x h ASP 807 Cb 0.98 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1a9x h ASP 807 CO 0.07 0.96 0.15 0.58 -1.72 0.00 0.00 179.24 179.28 1a9x h VAL 808 N 0.45 1.25 -0.25 -1.35 2.07 -1.37 -2.17 116.25 114.88 1a9x h VAL 808 Ca 0.03 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1a9x h VAL 808 Cb 0.95 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1a9x h VAL 808 CO 0.08 0.35 -0.07 0.24 0.02 0.00 0.00 177.57 178.20 1a9x h MET 809 N 0.97 0.48 -0.33 1.57 2.86 -1.02 -2.32 114.93 117.14 1a9x h MET 809 Ca 0.21 -0.19 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1a9x h MET 809 Cb 0.34 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1a9x h MET 809 CO 0.00 0.71 0.23 0.00 1.06 0.00 0.00 176.91 178.91 1a9x h ARG 810 N 0.22 0.09 -0.01 1.72 3.08 -0.76 0.11 114.38 118.83 1a9x h ARG 810 Ca 0.06 -0.01 -0.26 0.00 0.07 0.00 0.00 59.98 59.85 1a9x h ARG 810 Cb 0.53 -0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.58 1a9x h ARG 810 CO 0.03 0.06 -1.01 1.96 -1.07 0.00 0.00 179.97 179.94 1a9x h GLN 811 N 0.09 0.71 -0.43 0.04 1.08 -1.19 -2.46 115.11 112.96 1a9x h GLN 811 Ca 0.15 -0.74 -0.14 0.00 -1.45 0.00 0.00 58.65 56.48 1a9x h GLN 811 Cb 0.49 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1a9x h GLN 811 CO -0.02 1.32 -0.27 1.96 -0.95 0.00 0.00 178.83 180.88 1a9x h GLN 812 N 0.40 0.91 -0.91 1.46 4.20 -0.84 -0.22 115.11 120.10 1a9x h GLN 812 Ca -0.12 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.18 1a9x h GLN 812 Cb 1.66 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.38 1a9x h GLN 812 CO 0.20 1.06 0.56 0.28 -0.67 0.00 0.00 178.83 180.26 1a9x h VAL 813 N 0.77 1.25 -0.21 -0.54 2.07 -0.76 0.47 116.25 119.30 1a9x h VAL 813 Ca 0.09 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1a9x h VAL 813 Cb 0.83 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1a9x h VAL 813 CO 0.07 0.25 -0.01 -0.61 0.02 0.00 0.00 177.57 177.30 1a9x h GLN 814 N 1.25 0.38 -0.55 1.57 4.15 -1.00 -0.22 115.11 120.68 1a9x h GLN 814 Ca 0.33 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 1a9x h GLN 814 Cb -0.08 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1a9x h GLN 814 CO -0.06 0.58 0.10 0.87 -1.93 0.00 0.00 178.83 178.39 1a9x h LYS 815 N 0.13 0.88 -0.29 1.69 1.57 -0.49 -2.14 116.57 117.92 1a9x h LYS 815 Ca 0.06 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 1a9x h LYS 815 Cb 0.42 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1a9x h LYS 815 CO 0.01 0.81 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.54 1a9x h LEU 816 N 0.83 0.58 0.17 2.94 3.38 -0.77 -2.11 115.31 120.33 1a9x h LEU 816 Ca 0.18 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1a9x h LEU 816 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1a9x h LEU 816 CO 0.01 0.83 -0.30 0.00 0.09 0.00 0.00 178.44 179.06 1a9x h ALA 817 N 0.77 -0.55 -0.31 1.53 0.00 -0.81 0.13 119.26 120.01 1a9x h ALA 817 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a9x h ALA 817 Cb 0.59 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1a9x h ALA 817 CO 0.03 -0.86 0.17 0.74 0.00 0.00 0.00 179.25 179.33 1a9x h PHE 818 N -0.55 0.43 -0.81 0.00 0.04 -1.43 -2.04 116.94 112.58 1a9x h PHE 818 Ca 0.02 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1a9x h PHE 818 Cb 0.56 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 1a9x h PHE 818 CO -0.25 0.36 0.53 1.49 -0.60 0.00 0.00 178.31 179.84 1a9x h GLU 819 N 0.38 1.05 -0.27 1.51 4.57 -1.14 -1.93 114.58 118.75 1a9x h GLU 819 Ca 0.11 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1a9x h GLU 819 Cb 0.07 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1a9x h GLU 819 CO -0.02 0.69 0.00 1.28 -1.18 0.00 0.00 179.01 179.79 1a9x n LEU 820 N -4.53 1.67 -3.85 1.64 4.77 0.01 -4.94 117.00 111.77 1a9x n LEU 820 Ca 0.08 -0.80 -0.28 0.00 -0.03 0.00 0.00 56.01 54.99 1a9x n LEU 820 Cb 0.03 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1a9x n LEU 820 CO 0.36 0.40 0.08 0.00 -1.33 0.00 0.00 177.39 176.89 1a9x n GLN 821 N 0.38 -5.54 -2.10 3.23 1.13 -0.73 -4.80 117.38 108.95 1a9x n GLN 821 Ca 0.12 0.62 -0.40 0.00 -1.94 0.00 0.00 57.00 55.40 1a9x n GLN 821 Cb 0.28 -5.44 -0.02 0.00 0.11 0.00 0.00 30.24 25.18 1a9x n GLN 821 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1a9x s VAL 822 N -3.39 2.69 -0.33 5.09 1.01 -0.80 -4.65 120.40 120.02 1a9x s VAL 822 Ca 0.50 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 1a9x s VAL 822 Cb -0.25 -3.42 0.12 0.00 0.00 0.00 0.00 36.38 32.82 1a9x s VAL 822 CO 0.82 0.14 0.16 -0.13 0.00 0.00 0.00 175.10 176.09 1a9x s ARG 823 N -1.94 0.55 0.00 2.72 1.81 -1.25 -4.07 118.95 116.77 1a9x s ARG 823 Ca 0.51 -1.06 0.00 0.00 -1.72 0.00 0.00 55.73 53.46 1a9x s ARG 823 Cb -0.39 -1.54 0.00 0.00 -0.45 0.00 0.00 34.95 32.57 1a9x s ARG 823 CO 0.52 -1.08 0.00 0.41 -0.68 0.00 0.00 175.30 174.46 1a9x n GLY 824 N 4.61 0.17 3.84 -3.53 0.00 -0.62 -1.30 105.19 108.36 1a9x n GLY 824 Ca 0.02 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1a9x n GLY 824 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 825 N 0.00 3.39 0.18 0.99 1.43 -1.26 -1.33 118.68 122.07 1a9x s LEU 825 Ca 0.00 1.57 -0.16 0.00 -1.03 0.00 0.00 54.13 54.50 1a9x s LEU 825 Cb 0.00 -4.50 0.03 0.00 0.03 0.00 0.00 46.19 41.75 1a9x s LEU 825 CO 0.00 -0.92 0.47 0.00 0.23 0.00 0.00 176.35 176.13 1a9x s MET 826 N -4.62 1.28 -0.01 1.70 0.23 0.24 -2.98 119.30 115.15 1a9x s MET 826 Ca 0.58 -0.86 0.01 0.00 -1.03 0.00 0.00 55.69 54.40 1a9x s MET 826 Cb -0.12 0.49 0.00 0.00 -1.53 0.00 0.00 34.83 33.68 1a9x s MET 826 CO 0.44 -0.53 -0.03 1.21 -2.03 0.00 0.00 175.02 174.08 1a9x s ASN 827 N -2.87 0.44 -0.03 -1.18 3.84 -0.36 -1.06 114.94 113.73 1a9x s ASN 827 Ca 0.08 -0.06 0.03 0.00 0.21 0.00 0.00 52.86 53.12 1a9x s ASN 827 Cb 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 41.25 40.61 1a9x s ASN 827 CO -0.05 0.01 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.49 1a9x s VAL 828 N 0.17 0.87 -0.14 -5.21 1.01 0.51 -1.02 120.40 116.59 1a9x s VAL 828 Ca -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1a9x s VAL 828 Cb -0.04 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1a9x s VAL 828 CO -0.00 0.27 -0.16 -1.10 0.00 0.00 0.00 175.10 174.10 1a9x s GLN 829 N 0.21 3.23 0.32 2.72 -0.21 -0.73 0.63 119.66 125.84 1a9x s GLN 829 Ca -0.04 -0.75 0.06 0.00 0.02 0.00 0.00 55.36 54.65 1a9x s GLN 829 Cb -0.09 -2.57 -0.06 0.00 1.00 0.00 0.00 33.01 31.28 1a9x s GLN 829 CO 0.01 0.09 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.19 1a9x s PHE 830 N 0.62 2.11 -0.07 0.91 0.40 -0.62 0.10 117.98 121.43 1a9x s PHE 830 Ca -0.09 -0.74 0.01 0.00 -0.60 0.00 0.00 56.93 55.51 1a9x s PHE 830 Cb -0.16 -1.31 0.02 0.00 0.51 0.00 0.00 43.02 42.08 1a9x s PHE 830 CO 0.03 0.27 -0.08 0.00 0.70 0.00 0.00 175.22 176.14 1a9x s ALA 831 N -2.99 1.06 -0.23 5.36 0.00 0.14 -2.07 121.76 123.03 1a9x s ALA 831 Ca 0.33 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.90 1a9x s ALA 831 Cb 0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1a9x s ALA 831 CO 0.14 -0.07 0.07 0.08 0.00 0.00 0.00 175.76 175.98 1a9x s VAL 832 N 1.03 4.44 -0.11 0.00 1.01 0.97 -0.83 120.40 126.92 1a9x s VAL 832 Ca -0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1a9x s VAL 832 Cb -0.14 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1a9x s VAL 832 CO -0.00 0.37 0.25 -0.75 0.00 0.00 0.00 175.10 174.97 1a9x s LYS 833 N 1.24 0.17 -1.48 2.72 2.20 0.29 -1.10 119.74 123.78 1a9x s LYS 833 Ca 0.05 0.62 -0.12 0.00 -0.36 0.00 0.00 55.97 56.16 1a9x s LYS 833 Cb -0.14 -0.09 0.06 0.00 -1.51 0.00 0.00 37.83 36.15 1a9x s LYS 833 CO 0.03 -0.22 1.01 0.09 -0.36 0.00 0.00 175.35 175.90 1a9x n ASN 834 N 4.75 -4.87 -3.28 1.43 5.03 -1.26 -1.33 115.26 115.74 1a9x n ASN 834 Ca -0.16 -0.73 -0.22 0.00 0.87 0.00 0.00 54.58 54.34 1a9x n ASN 834 Cb 0.51 -4.16 0.07 0.00 -1.02 0.00 0.00 39.78 35.19 1a9x n ASN 834 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1a9x n ASN 835 N -2.89 -5.96 -3.86 6.41 4.05 -1.26 -5.00 115.26 106.75 1a9x n ASN 835 Ca 0.01 -0.48 -0.15 0.00 0.45 0.00 0.00 54.58 54.41 1a9x n ASN 835 Cb 0.54 -4.59 -0.15 0.00 1.23 0.00 0.00 39.78 36.82 1a9x n ASN 835 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1a9x s GLU 836 N -6.17 0.22 -0.18 1.20 2.02 -0.44 -5.09 118.70 110.25 1a9x s GLU 836 Ca 0.52 0.01 -0.19 0.00 0.02 0.00 0.00 54.97 55.33 1a9x s GLU 836 Cb -0.23 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 33.65 1a9x s GLU 836 CO 0.65 -0.05 0.53 0.08 0.02 0.00 0.00 175.26 176.49 1a9x s VAL 837 N 0.51 5.10 -0.06 2.63 1.01 -1.26 -0.55 120.40 127.78 1a9x s VAL 837 Ca -0.05 1.00 0.06 0.00 0.00 0.00 0.00 61.98 62.99 1a9x s VAL 837 Cb -0.08 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1a9x s VAL 837 CO -0.01 0.19 -0.23 -0.31 0.00 0.00 0.00 175.10 174.74 1a9x s TYR 838 N 1.52 2.30 0.02 5.22 1.51 -0.01 -4.59 117.35 123.32 1a9x s TYR 838 Ca 0.25 -0.71 -0.29 0.00 -1.01 0.00 0.00 57.07 55.31 1a9x s TYR 838 Cb -0.15 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1a9x s TYR 838 CO 0.10 -0.23 0.93 -1.17 -1.11 0.00 0.00 175.55 174.07 1a9x s LEU 839 N -0.06 4.39 -0.18 -1.29 2.96 0.19 0.26 118.68 124.95 1a9x s LEU 839 Ca -0.05 1.62 -0.00 0.00 -0.22 0.00 0.00 54.13 55.47 1a9x s LEU 839 Cb -0.14 -3.50 -0.11 0.00 0.50 0.00 0.00 46.19 42.95 1a9x s LEU 839 CO 0.04 -0.19 -0.17 -0.38 -1.32 0.00 0.00 176.35 174.33 1a9x n ILE 840 N 3.61 1.01 -3.55 6.68 5.41 0.29 -4.46 119.36 128.35 1a9x n ILE 840 Ca 0.04 -0.37 -0.06 0.00 1.00 0.00 0.00 62.75 63.36 1a9x n ILE 840 Cb 0.51 -1.22 -0.02 0.00 -0.71 0.00 0.00 39.64 38.20 1a9x n ILE 840 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1a9x s GLU 841 N -2.35 0.69 -0.14 0.38 -1.05 -0.94 -5.00 118.70 110.29 1a9x s GLU 841 Ca -0.24 -0.28 0.02 0.00 -0.15 0.00 0.00 54.97 54.32 1a9x s GLU 841 Cb 0.07 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 34.08 1a9x s GLU 841 CO 0.39 -0.31 -0.19 0.08 0.95 0.00 0.00 175.26 176.19 1a9x s VAL 842 N -2.92 1.84 -0.45 1.83 1.01 -1.26 -1.77 120.40 118.68 1a9x s VAL 842 Ca 0.07 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1a9x s VAL 842 Cb -0.01 -1.66 0.12 0.00 0.00 0.00 0.00 36.38 34.83 1a9x s VAL 842 CO -0.07 0.51 0.28 0.20 0.00 0.00 0.00 175.10 176.02 1a9x s ASN 843 N 1.09 5.46 0.00 3.32 0.01 -0.19 -4.63 114.94 119.99 1a9x s ASN 843 Ca -0.02 -2.03 -0.02 0.00 -0.71 0.00 0.00 52.86 50.08 1a9x s ASN 843 Cb -0.14 -1.91 -0.09 0.00 0.41 0.00 0.00 41.25 39.52 1a9x s ASN 843 CO -0.06 -0.60 1.93 -0.81 -1.51 0.00 0.00 177.10 176.05 1a9x n PRO 844 N 4.66 0.98 -1.91 -0.60 -0.04 -1.26 -1.23 135.00 135.60 1a9x n PRO 844 Ca -0.04 -0.32 -0.03 0.00 -0.04 0.00 0.00 63.50 63.07 1a9x n PRO 844 Cb 0.41 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1a9x n PRO 844 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1a9x n ARG 845 N 2.16 0.34 -2.19 0.54 1.85 -1.16 -4.83 116.66 113.38 1a9x n ARG 845 Ca 0.14 -0.71 -0.42 0.00 -1.00 0.00 0.00 57.85 55.86 1a9x n ARG 845 Cb 0.47 0.86 -0.03 0.00 -1.05 0.00 0.00 32.46 32.71 1a9x n ARG 845 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1a9x s ALA 846 N -1.40 3.58 0.45 2.89 0.00 -0.76 -3.65 121.76 122.87 1a9x s ALA 846 Ca 0.05 1.10 0.06 0.00 0.00 0.00 0.00 51.96 53.18 1a9x s ALA 846 Cb -0.01 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1a9x s ALA 846 CO 0.04 -0.60 0.62 0.00 0.00 0.00 0.00 175.76 175.82 1a9x s ALA 847 N 1.08 4.36 -0.53 0.00 0.00 -1.26 -4.83 121.76 120.58 1a9x s ALA 847 Ca 0.64 -1.57 0.21 0.00 0.00 0.00 0.00 51.96 51.23 1a9x s ALA 847 Cb -0.36 -1.75 0.91 0.00 0.00 0.00 0.00 23.12 21.92 1a9x s ALA 847 CO 0.30 -0.39 1.63 2.89 0.00 0.00 0.00 175.76 180.19 1a9x n ARG 848 N -1.97 0.14 0.04 0.00 1.85 -1.26 -2.06 116.66 113.40 1a9x n ARG 848 Ca 0.08 0.44 0.13 0.00 -1.00 0.00 0.00 57.85 57.50 1a9x n ARG 848 Cb 0.59 -1.81 0.52 0.00 -1.05 0.00 0.00 32.46 30.71 1a9x n ARG 848 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1a9x n THR 849 N -2.09 0.30 -0.07 8.89 -2.24 -1.26 -4.21 114.28 113.59 1a9x n THR 849 Ca 0.01 -0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 1a9x n THR 849 Cb 0.17 -0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 1a9x n THR 849 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1a9x h VAL 850 N 0.00 0.49 -0.59 2.28 2.07 -1.79 -2.09 116.25 116.63 1a9x h VAL 850 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1a9x h VAL 850 Cb 0.55 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1a9x h VAL 850 CO 0.00 0.00 0.38 -0.65 0.02 0.00 0.00 177.57 177.32 1a9x h PRO 851 N -0.14 0.74 0.10 1.57 0.11 -1.84 -2.08 132.00 130.45 1a9x h PRO 851 Ca 0.15 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1a9x h PRO 851 Cb 0.38 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1a9x h PRO 851 CO -0.38 0.49 -0.05 0.35 -0.21 0.00 0.00 178.00 178.20 1a9x h PHE 852 N 0.76 -0.13 -0.94 0.65 3.57 -1.80 0.53 116.94 119.58 1a9x h PHE 852 Ca 0.22 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.82 1a9x h PHE 852 Cb -0.04 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 1a9x h PHE 852 CO -0.04 -0.06 0.58 0.28 -2.23 0.00 0.00 178.31 176.84 1a9x h VAL 853 N -0.16 0.94 -0.31 1.41 2.07 -1.27 0.22 116.25 119.16 1a9x h VAL 853 Ca -0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1a9x h VAL 853 Cb 0.13 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 1a9x h VAL 853 CO 0.02 0.17 0.10 0.28 0.02 0.00 0.00 177.57 178.16 1a9x h SER 854 N 0.95 0.45 -0.30 0.57 0.02 -1.01 0.20 113.55 114.43 1a9x h SER 854 Ca 0.45 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1a9x h SER 854 Cb 0.39 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1a9x h SER 854 CO -0.24 0.53 -0.02 0.11 -1.14 0.00 0.00 176.83 176.07 1a9x h LYS 855 N 0.34 0.55 -0.70 3.45 6.56 -0.46 0.27 116.57 126.58 1a9x h LYS 855 Ca 0.10 -0.18 -0.04 0.00 -1.06 0.00 0.00 60.65 59.47 1a9x h LYS 855 Cb 0.24 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.83 1a9x h LYS 855 CO -0.00 0.70 0.29 0.00 -2.06 0.00 0.00 179.45 178.38 1a9x h ALA 856 N 0.82 0.91 -0.01 3.86 0.00 -0.43 -3.25 119.26 121.16 1a9x h ALA 856 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a9x h ALA 856 Cb 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a9x h ALA 856 CO 0.02 0.51 -0.72 0.25 0.00 0.00 0.00 179.25 179.31 1a9x n THR 857 N -4.39 0.00 -0.92 0.00 -2.24 0.70 -4.79 114.28 102.64 1a9x n THR 857 Ca 0.05 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1a9x n THR 857 Cb 0.17 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1a9x n THR 857 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 858 N 1.43 0.73 3.57 3.38 0.00 0.95 -4.98 105.19 110.27 1a9x n GLY 858 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1a9x n GLY 858 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 859 N -3.11 4.86 -1.09 1.61 1.01 -1.18 -5.00 120.40 117.51 1a9x s VAL 859 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 1a9x s VAL 859 Cb 0.00 -3.26 0.08 0.00 0.00 0.00 0.00 36.38 33.20 1a9x s VAL 859 CO 0.00 0.35 1.47 -2.16 0.00 0.00 0.00 175.10 174.76 1a9x s PRO 860 N 1.24 3.74 0.33 2.72 0.04 -1.26 -4.24 135.00 137.57 1a9x s PRO 860 Ca 0.06 -1.59 0.02 0.00 0.04 0.00 0.00 61.00 59.53 1a9x s PRO 860 Cb -0.14 -5.31 0.58 0.00 0.04 0.00 0.00 34.50 29.67 1a9x s PRO 860 CO 0.05 -2.11 1.93 -0.07 0.04 0.00 0.00 177.00 176.83 1a9x h LEU 861 N 12.07 0.65 -0.98 -3.56 3.38 -1.93 0.15 115.31 125.09 1a9x h LEU 861 Ca 0.27 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1a9x h LEU 861 Cb 0.96 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1a9x h LEU 861 CO 1.37 0.59 -0.34 0.00 0.09 0.00 0.00 178.44 180.14 1a9x h ALA 862 N 1.52 1.14 -0.19 1.53 0.00 -1.92 0.23 119.26 121.56 1a9x h ALA 862 Ca 0.18 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 1a9x h ALA 862 Cb 0.13 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1a9x h ALA 862 CO -0.02 0.56 -0.71 0.87 0.00 0.00 0.00 179.25 179.95 1a9x h LYS 863 N 0.27 0.81 -0.01 0.00 1.57 -1.66 -1.00 116.57 116.55 1a9x h LYS 863 Ca 0.03 -0.61 -0.00 0.00 -1.87 0.00 0.00 60.65 58.20 1a9x h LYS 863 Cb 0.74 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1a9x h LYS 863 CO 0.06 1.23 0.00 0.28 -0.57 0.00 0.00 179.45 180.45 1a9x h VAL 864 N 0.57 1.23 -0.10 0.50 2.07 -0.44 -1.95 116.25 118.13 1a9x h VAL 864 Ca -0.03 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1a9x h VAL 864 Cb 1.33 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1a9x h VAL 864 CO 0.15 0.18 -0.17 0.00 0.02 0.00 0.00 177.57 177.74 1a9x h ALA 865 N 0.72 1.52 -0.43 1.67 0.00 -0.59 -1.00 119.26 121.16 1a9x h ALA 865 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1a9x h ALA 865 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1a9x h ALA 865 CO 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 179.25 179.43 1a9x h ALA 866 N 1.67 0.89 -0.33 0.00 0.00 -1.05 -1.04 119.26 119.41 1a9x h ALA 866 Ca 0.03 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1a9x h ALA 866 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1a9x h ALA 866 CO 0.03 0.63 -0.14 0.00 0.00 0.00 0.00 179.25 179.76 1a9x h ARG 867 N 0.73 0.59 -0.50 0.00 3.08 -0.44 -1.82 114.38 116.01 1a9x h ARG 867 Ca 0.11 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1a9x h ARG 867 Cb 0.68 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1a9x h ARG 867 CO 0.05 0.72 0.24 0.28 -1.07 0.00 0.00 179.97 180.19 1a9x h VAL 868 N 0.54 1.19 -0.68 2.04 2.07 -0.91 0.32 116.25 120.83 1a9x h VAL 868 Ca 0.09 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1a9x h VAL 868 Cb 0.56 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1a9x h VAL 868 CO 0.04 0.22 0.44 0.24 0.02 0.00 0.00 177.57 178.52 1a9x h MET 869 N 0.67 0.86 0.00 1.57 2.86 -0.73 -1.84 114.93 118.32 1a9x h MET 869 Ca 0.17 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1a9x h MET 869 Cb 0.12 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1a9x h MET 869 CO -0.02 0.57 0.00 0.00 1.06 0.00 0.00 176.91 178.52 1a9x n ALA 870 N -2.29 2.24 0.00 6.32 0.00 -0.73 -4.07 120.51 121.98 1a9x n ALA 870 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1a9x n ALA 870 Cb 0.04 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1a9x n ALA 870 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 871 N 0.76 0.93 3.59 0.00 0.00 -0.69 -5.08 105.19 104.70 1a9x n GLY 871 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1a9x n GLY 871 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a9x s LYS 872 N -0.30 3.80 0.90 1.61 2.20 0.11 -4.95 119.74 123.11 1a9x s LYS 872 Ca 0.00 0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.72 1a9x s LYS 872 Cb 0.00 -3.77 0.13 0.00 -1.51 0.00 0.00 37.83 32.68 1a9x s LYS 872 CO 0.00 -0.66 1.10 -1.54 -0.36 0.00 0.00 175.35 173.88 1a9x s SER 873 N 1.71 3.35 0.17 1.43 1.04 -1.26 -3.01 113.70 117.14 1a9x s SER 873 Ca 0.26 1.73 -0.14 0.00 0.48 0.00 0.00 55.95 58.28 1a9x s SER 873 Cb -0.15 -2.36 0.11 0.00 0.10 0.00 0.00 66.02 63.73 1a9x s SER 873 CO 0.13 -2.75 1.79 -0.07 0.98 0.00 0.00 173.24 173.32 1a9x h LEU 874 N -1.63 0.37 0.16 2.42 3.38 -1.94 0.22 115.31 118.30 1a9x h LEU 874 Ca -0.48 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1a9x h LEU 874 Cb 1.27 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1a9x h LEU 874 CO 0.50 0.26 -0.09 0.00 0.09 0.00 0.00 178.44 179.20 1a9x h ALA 875 N 1.25 -0.23 -0.61 1.53 0.00 -1.92 0.22 119.26 119.50 1a9x h ALA 875 Ca 0.21 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1a9x h ALA 875 Cb 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1a9x h ALA 875 CO -0.14 -0.63 0.40 0.93 0.00 0.00 0.00 179.25 179.81 1a9x h GLU 876 N -0.24 0.50 0.00 0.00 5.08 -1.72 -0.92 114.58 117.28 1a9x h GLU 876 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1a9x h GLU 876 Cb 0.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1a9x h GLU 876 CO 0.03 0.33 -0.34 1.04 -1.00 0.00 0.00 179.01 179.06 1a9x n GLN 877 N -4.48 0.15 -1.78 2.33 6.02 0.70 -4.94 117.38 115.39 1a9x n GLN 877 Ca 0.09 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1a9x n GLN 877 Cb 0.30 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1a9x n GLN 877 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a9x n GLY 878 N 1.41 0.57 2.80 1.08 0.00 0.59 -5.00 105.19 106.63 1a9x n GLY 878 Ca 0.05 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 1a9x n GLY 878 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 879 N -2.02 1.74 0.00 1.61 1.01 -0.14 -4.88 120.40 117.72 1a9x s VAL 879 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 61.98 59.33 1a9x s VAL 879 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1a9x s VAL 879 CO 0.00 -0.83 0.00 0.35 0.00 0.00 0.00 175.10 174.62 1a9x n THR 880 N 3.58 0.00 -4.99 3.92 -2.24 -1.26 -4.52 114.28 108.77 1a9x n THR 880 Ca 0.06 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.27 1a9x n THR 880 Cb 0.35 0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 69.24 1a9x n THR 880 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a9x s LYS 881 N -0.90 3.17 0.28 -0.78 -0.14 -1.26 -4.87 119.74 115.24 1a9x s LYS 881 Ca 0.00 -0.78 -0.30 0.00 -1.36 0.00 0.00 55.97 53.54 1a9x s LYS 881 Cb 0.00 -2.46 -0.13 0.00 -1.68 0.00 0.00 37.83 33.56 1a9x s LYS 881 CO 0.00 0.22 1.26 -1.91 -0.76 0.00 0.00 175.35 174.17 1a9x n GLU 882 N 3.45 1.85 -3.90 1.68 2.13 -1.26 -4.97 120.64 119.62 1a9x n GLU 882 Ca -0.18 0.65 -0.36 0.00 0.66 0.00 0.00 57.16 57.93 1a9x n GLU 882 Cb 0.53 -2.21 -0.11 0.00 0.27 0.00 0.00 31.44 29.92 1a9x n GLU 882 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1a9x s VAL 883 N -0.62 4.62 -0.31 6.31 1.01 -1.26 -5.05 120.40 125.09 1a9x s VAL 883 Ca 0.62 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 1a9x s VAL 883 Cb -0.65 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1a9x s VAL 883 CO 0.56 0.39 0.06 -0.63 0.00 0.00 0.00 175.10 175.48 1a9x s ILE 884 N 0.97 3.50 0.72 2.22 -1.09 -1.26 -4.93 121.20 121.33 1a9x s ILE 884 Ca 0.04 -1.14 -0.12 0.00 -2.23 0.00 0.00 60.65 57.20 1a9x s ILE 884 Cb -0.14 -2.95 0.03 0.00 -1.58 0.00 0.00 42.46 37.82 1a9x s ILE 884 CO 0.03 -0.09 1.09 -2.84 -1.23 0.00 0.00 174.94 171.90 1a9x s PRO 885 N 1.36 2.56 0.00 2.79 0.02 -1.26 -4.93 135.00 135.54 1a9x s PRO 885 Ca -0.02 1.22 0.27 0.00 0.02 0.00 0.00 61.00 62.49 1a9x s PRO 885 Cb -0.19 -1.93 1.23 0.00 0.02 0.00 0.00 34.50 33.63 1a9x s PRO 885 CO 0.01 -1.42 1.89 -0.35 -0.33 0.00 0.00 177.00 176.81 1a9x n PRO 886 N -3.05 0.12 -4.54 5.54 -0.04 -1.26 -4.83 135.00 126.93 1a9x n PRO 886 Ca 0.09 0.03 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 1a9x n PRO 886 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 1a9x n PRO 886 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1a9x s TYR 887 N -2.88 2.27 0.01 0.54 -0.85 -1.26 -4.98 117.35 110.20 1a9x s TYR 887 Ca 0.17 -0.78 -0.06 0.00 -0.52 0.00 0.00 57.07 55.88 1a9x s TYR 887 Cb 0.18 -1.54 -0.05 0.00 0.38 0.00 0.00 41.96 40.93 1a9x s TYR 887 CO 0.47 0.27 0.25 0.71 -1.52 0.00 0.00 175.55 175.73 1a9x s TYR 888 N -2.96 3.57 -0.08 -3.49 2.02 0.49 -4.61 117.35 112.29 1a9x s TYR 888 Ca 0.35 0.54 0.04 0.00 -0.37 0.00 0.00 57.07 57.63 1a9x s TYR 888 Cb 0.09 -1.96 -0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1a9x s TYR 888 CO 0.17 0.62 -0.22 -1.12 -1.57 0.00 0.00 175.55 173.42 1a9x s SER 889 N -1.74 2.84 -0.04 2.29 0.01 0.47 -1.27 113.70 116.27 1a9x s SER 889 Ca 0.27 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 57.08 1a9x s SER 889 Cb -0.13 -1.17 -0.01 0.00 0.21 0.00 0.00 66.02 64.93 1a9x s SER 889 CO 0.16 0.16 -0.18 -0.69 0.41 0.00 0.00 173.24 173.10 1a9x s VAL 890 N 0.27 1.51 -0.12 3.43 1.01 0.11 -1.02 120.40 125.59 1a9x s VAL 890 Ca -0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1a9x s VAL 890 Cb -0.16 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1a9x s VAL 890 CO 0.07 0.43 -0.04 -0.75 0.00 0.00 0.00 175.10 174.81 1a9x s LYS 891 N -0.11 3.27 0.06 2.72 2.20 0.11 -0.60 119.74 127.38 1a9x s LYS 891 Ca -0.01 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.15 1a9x s LYS 891 Cb -0.11 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 1a9x s LYS 891 CO 0.02 0.46 -0.14 -2.00 -0.36 0.00 0.00 175.35 173.33 1a9x s GLU 892 N -0.25 0.87 0.35 4.03 2.56 -0.63 0.08 118.70 125.72 1a9x s GLU 892 Ca 0.04 -0.88 0.07 0.00 0.00 0.00 0.00 54.97 54.21 1a9x s GLU 892 Cb -0.13 -0.89 -0.02 0.00 2.00 0.00 0.00 34.13 35.10 1a9x s GLU 892 CO 0.02 0.21 0.37 0.14 -0.56 0.00 0.00 175.26 175.44 1a9x s VAL 893 N -1.09 3.58 -0.12 3.70 -7.23 -1.26 -0.80 120.40 117.17 1a9x s VAL 893 Ca -0.00 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1a9x s VAL 893 Cb -0.09 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.64 1a9x s VAL 893 CO 0.02 -0.14 -0.20 0.68 -0.31 0.00 0.00 175.10 175.15 1a9x s VAL 894 N -2.29 1.88 -0.01 1.32 -7.23 -0.83 -4.93 120.40 108.31 1a9x s VAL 894 Ca 0.44 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.72 1a9x s VAL 894 Cb -0.07 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1a9x s VAL 894 CO 0.28 0.52 0.08 -0.76 -0.31 0.00 0.00 175.10 174.91 1a9x s LEU 895 N 0.76 3.89 -0.05 1.32 1.43 -1.26 -1.57 118.68 123.21 1a9x s LEU 895 Ca -0.09 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 1a9x s LEU 895 Cb -0.16 -2.24 0.28 0.00 0.03 0.00 0.00 46.19 44.11 1a9x s LEU 895 CO 0.00 0.28 1.09 -0.81 0.23 0.00 0.00 176.35 177.14 1a9x n PRO 896 N 1.27 2.10 -0.30 1.29 -0.04 -1.26 -4.44 135.00 133.62 1a9x n PRO 896 Ca -0.14 -1.12 0.25 0.00 -0.04 0.00 0.00 63.50 62.45 1a9x n PRO 896 Cb 0.53 -1.52 0.57 0.00 -0.04 0.00 0.00 33.50 33.03 1a9x n PRO 896 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1a9x h PHE 897 N 1.59 0.48 0.00 0.54 0.04 -1.92 -0.46 116.94 117.21 1a9x h PHE 897 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1a9x h PHE 897 Cb 0.74 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1a9x h PHE 897 CO 0.31 0.06 0.00 0.27 -0.60 0.00 0.00 178.31 178.35 1a9x n ASN 898 N -4.51 0.00 0.08 2.17 6.94 -1.26 -1.06 115.26 117.62 1a9x n ASN 898 Ca 0.24 0.39 0.12 0.00 -0.02 0.00 0.00 54.58 55.30 1a9x n ASN 898 Cb 0.91 -0.43 0.03 0.00 -2.36 0.00 0.00 39.78 37.93 1a9x n ASN 898 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1a9x n LYS 899 N -1.43 0.50 -3.30 -3.83 4.76 -0.18 -4.57 118.16 110.11 1a9x n LYS 899 Ca 0.03 0.08 -0.25 0.00 -2.87 0.00 0.00 58.31 55.29 1a9x n LYS 899 Cb 0.10 -1.74 -0.08 0.00 -1.84 0.00 0.00 35.03 31.47 1a9x n LYS 899 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1a9x n PHE 900 N -2.43 0.35 -0.35 2.13 3.72 -0.22 -5.00 117.46 115.65 1a9x n PHE 900 Ca 0.01 -3.65 0.25 0.00 -0.05 0.00 0.00 57.45 54.01 1a9x n PHE 900 Cb 0.51 -0.29 0.50 0.00 -0.94 0.00 0.00 39.48 39.26 1a9x n PHE 900 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1a9x h PRO 901 N 4.38 0.32 0.00 -1.08 0.11 -1.80 0.14 132.00 134.08 1a9x h PRO 901 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1a9x h PRO 901 Cb 0.84 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1a9x h PRO 901 CO 0.52 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 1a9x n GLY 902 N -1.36 -0.68 3.89 -0.55 0.00 -1.26 -4.69 105.19 100.54 1a9x n GLY 902 Ca 0.31 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1a9x n GLY 902 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 903 N -2.44 5.06 -0.39 1.61 1.01 0.49 -4.55 120.40 121.19 1a9x s VAL 903 Ca 0.15 0.24 -0.27 0.00 0.00 0.00 0.00 61.98 62.11 1a9x s VAL 903 Cb 0.09 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.87 1a9x s VAL 903 CO 0.20 -0.01 0.97 -0.62 0.00 0.00 0.00 175.10 175.64 1a9x s ASP 904 N -2.39 6.67 -0.53 3.32 2.15 -1.26 -4.92 116.67 119.71 1a9x s ASP 904 Ca 0.44 0.55 -0.05 0.00 0.43 0.00 0.00 52.55 53.91 1a9x s ASP 904 Cb -0.12 -2.48 -0.12 0.00 -0.30 0.00 0.00 42.92 39.90 1a9x s ASP 904 CO 0.23 -0.94 2.45 -0.81 -0.17 0.00 0.00 175.17 175.92 1a9x n PRO 905 N 6.99 1.88 -4.38 4.34 -0.05 -1.26 -4.86 135.00 137.67 1a9x n PRO 905 Ca 0.08 -1.13 -0.35 0.00 -0.05 0.00 0.00 63.50 62.05 1a9x n PRO 905 Cb 0.48 -2.17 -0.10 0.00 -0.05 0.00 0.00 33.50 31.66 1a9x n PRO 905 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 1a9x s LEU 906 N 0.06 3.50 0.64 1.53 2.96 -1.26 -5.00 118.68 121.10 1a9x s LEU 906 Ca 0.45 0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 54.32 1a9x s LEU 906 Cb 0.17 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 1a9x s LEU 906 CO -0.02 0.33 1.04 -0.76 -1.32 0.00 0.00 176.35 175.62 1a9x s LEU 907 N -0.58 3.25 0.00 -0.68 1.43 -1.26 -5.05 118.68 115.79 1a9x s LEU 907 Ca 0.10 1.56 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 1a9x s LEU 907 Cb -0.12 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.62 1a9x s LEU 907 CO 0.02 -1.13 0.19 0.61 0.23 0.00 0.00 176.35 176.27 1a9x n GLY 908 N -2.12 0.75 0.21 -3.19 0.00 -1.26 -4.99 105.19 94.59 1a9x n GLY 908 Ca 0.07 -0.89 0.15 0.00 0.00 0.00 0.00 46.02 45.34 1a9x n GLY 908 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a9x h PRO 909 N 0.00 0.00 -5.61 1.61 0.13 -1.47 0.31 132.00 126.98 1a9x h PRO 909 Ca -0.04 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.44 1a9x h PRO 909 Cb 0.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.13 1a9x h PRO 909 CO 0.05 0.00 -0.64 -2.00 -0.23 0.00 0.00 178.00 175.18 1a9x s GLU 910 N -3.67 3.39 0.00 0.86 2.12 -1.26 -4.31 118.70 115.83 1a9x s GLU 910 Ca -0.02 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 1a9x s GLU 910 Cb 0.09 -2.87 -0.05 0.00 0.26 0.00 0.00 34.13 31.56 1a9x s GLU 910 CO 0.32 0.44 1.28 1.41 -0.54 0.00 0.00 175.26 178.17 1a9x s MET 911 N -0.16 4.35 0.00 4.30 -2.45 -1.26 -4.73 119.30 119.34 1a9x s MET 911 Ca 0.04 1.82 0.00 0.00 -1.25 0.00 0.00 55.69 56.30 1a9x s MET 911 Cb -0.13 -3.49 0.00 0.00 1.25 0.00 0.00 34.83 32.46 1a9x s MET 911 CO 0.02 -0.44 0.02 0.54 1.05 0.00 0.00 175.02 176.21 1a9x n ARG 912 N 4.88 6.00 -1.88 4.11 3.00 -1.26 -4.87 116.66 126.63 1a9x n ARG 912 Ca 0.11 -0.02 -0.33 0.00 -0.01 0.00 0.00 57.85 57.60 1a9x n ARG 912 Cb 0.45 -0.48 0.04 0.00 0.00 0.00 0.00 32.46 32.47 1a9x n ARG 912 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1a9x s SER 913 N -0.86 5.28 -0.08 0.55 1.04 -1.26 -4.30 113.70 114.07 1a9x s SER 913 Ca 0.00 2.02 0.14 0.00 0.48 0.00 0.00 55.95 58.58 1a9x s SER 913 Cb 0.00 -2.56 -0.20 0.00 0.10 0.00 0.00 66.02 63.36 1a9x s SER 913 CO 0.00 -1.51 0.18 0.35 0.98 0.00 0.00 173.24 173.24 1a9x n THR 914 N -2.17 0.49 -3.16 2.02 -2.24 -0.61 -4.36 114.28 104.26 1a9x n THR 914 Ca 0.10 -0.47 -0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1a9x n THR 914 Cb 0.52 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1a9x n THR 914 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 915 N 1.91 2.24 3.51 3.38 0.00 -1.09 -4.60 105.19 110.54 1a9x n GLY 915 Ca -0.13 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 1a9x n GLY 915 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a9x s GLU 916 N -2.01 1.37 0.18 1.61 -1.05 -1.26 -1.97 118.70 115.57 1a9x s GLU 916 Ca 0.01 -0.81 0.01 0.00 -0.15 0.00 0.00 54.97 54.03 1a9x s GLU 916 Cb -0.00 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 34.17 1a9x s GLU 916 CO 0.00 -0.58 0.02 0.14 0.95 0.00 0.00 175.26 175.79 1a9x s VAL 917 N -3.86 0.61 -0.03 1.83 -7.23 0.02 -4.40 120.40 107.35 1a9x s VAL 917 Ca 0.08 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.32 1a9x s VAL 917 Cb -0.01 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 1a9x s VAL 917 CO -0.04 -0.43 -0.16 -0.32 -0.31 0.00 0.00 175.10 173.84 1a9x s MET 918 N -3.94 1.48 -0.14 4.82 1.75 -0.27 -1.60 119.30 121.40 1a9x s MET 918 Ca 0.25 -0.57 0.00 0.00 -1.25 0.00 0.00 55.69 54.12 1a9x s MET 918 Cb 0.06 -1.36 -0.01 0.00 2.84 0.00 0.00 34.83 36.36 1a9x s MET 918 CO 0.05 0.29 -0.14 0.20 -0.65 0.00 0.00 175.02 174.76 1a9x s GLY 919 N -0.16 1.50 -0.20 2.11 0.00 0.23 -4.59 107.32 106.22 1a9x s GLY 919 Ca 0.01 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 1a9x s GLY 919 CO 0.01 -0.10 -0.07 0.14 0.00 0.00 0.00 173.10 173.08 1a9x s VAL 920 N 0.57 3.22 0.19 1.40 1.01 -1.26 0.03 120.40 125.56 1a9x s VAL 920 Ca -0.09 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1a9x s VAL 920 Cb -0.16 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1a9x s VAL 920 CO 0.04 0.46 0.32 -0.83 0.00 0.00 0.00 175.10 175.08 1a9x s GLY 921 N 1.20 0.56 0.31 4.51 0.00 -0.39 -4.57 107.32 108.94 1a9x s GLY 921 Ca 0.02 -0.93 0.11 0.00 0.00 0.00 0.00 44.72 43.92 1a9x s GLY 921 CO -0.02 -0.82 1.71 3.21 0.00 0.00 0.00 173.10 177.18 1a9x h ARG 922 N 2.47 0.03 -5.15 2.90 3.08 -1.92 0.14 114.38 115.93 1a9x h ARG 922 Ca -0.31 -0.02 -0.44 0.00 0.07 0.00 0.00 59.98 59.28 1a9x h ARG 922 Cb 1.24 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.15 1a9x h ARG 922 CO 0.45 0.52 -0.61 0.95 -1.07 0.00 0.00 179.97 180.21 1a9x s THR 923 N -3.90 1.04 0.23 2.04 -4.23 -1.26 -4.67 115.64 104.89 1a9x s THR 923 Ca -0.02 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.44 1a9x s THR 923 Cb 0.13 -2.75 0.09 0.00 1.34 0.00 0.00 72.50 71.31 1a9x s THR 923 CO 0.75 -0.01 1.70 0.15 -0.54 0.00 0.00 174.62 176.68 1a9x h PHE 924 N 2.18 0.94 -0.90 3.99 3.57 -1.95 -1.86 116.94 122.91 1a9x h PHE 924 Ca -0.40 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 60.95 1a9x h PHE 924 Cb 1.24 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1a9x h PHE 924 CO 0.55 0.87 0.59 0.00 -2.23 0.00 0.00 178.31 178.09 1a9x h ALA 925 N 1.15 1.34 -0.12 2.41 0.00 -1.95 -0.35 119.26 121.74 1a9x h ALA 925 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1a9x h ALA 925 Cb 0.53 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a9x h ALA 925 CO 0.03 0.61 -0.00 1.49 0.00 0.00 0.00 179.25 181.37 1a9x h GLU 926 N 1.23 0.21 -0.13 0.00 4.81 -1.82 0.17 114.58 119.05 1a9x h GLU 926 Ca 0.33 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1a9x h GLU 926 Cb -0.13 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1a9x h GLU 926 CO -0.07 0.46 0.03 0.00 -0.73 0.00 0.00 179.01 178.70 1a9x h ALA 927 N 0.75 0.13 -0.80 2.92 0.00 -0.96 -2.39 119.26 118.91 1a9x h ALA 927 Ca 0.03 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1a9x h ALA 927 Cb 0.36 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1a9x h ALA 927 CO 0.01 -0.42 0.53 0.35 0.00 0.00 0.00 179.25 179.72 1a9x h PHE 928 N 0.09 0.99 -0.33 0.00 3.04 -1.08 0.15 116.94 119.81 1a9x h PHE 928 Ca 0.06 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.92 1a9x h PHE 928 Cb 0.04 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.20 1a9x h PHE 928 CO -0.11 0.60 -0.24 0.00 -2.02 0.00 0.00 178.31 176.54 1a9x h ALA 929 N 1.51 0.97 -0.34 2.41 0.00 -0.62 0.33 119.26 123.52 1a9x h ALA 929 Ca 0.30 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1a9x h ALA 929 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1a9x h ALA 929 CO -0.07 0.60 -0.42 0.87 0.00 0.00 0.00 179.25 180.23 1a9x h LYS 930 N 0.56 0.89 -0.33 0.00 1.57 -0.82 -0.72 116.57 117.73 1a9x h LYS 930 Ca 0.08 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1a9x h LYS 930 Cb 0.71 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1a9x h LYS 930 CO 0.05 1.14 0.13 0.00 -0.57 0.00 0.00 179.45 180.21 1a9x h ALA 931 N 0.73 0.43 -0.69 3.86 0.00 -0.59 0.11 119.26 123.11 1a9x h ALA 931 Ca 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1a9x h ALA 931 Cb 1.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1a9x h ALA 931 CO 0.10 0.03 0.13 0.37 0.00 0.00 0.00 179.25 179.88 1a9x h GLN 932 N 0.39 1.14 -0.21 0.00 4.15 -0.22 -1.50 115.11 118.85 1a9x h GLN 932 Ca 0.11 -0.29 -0.12 0.00 0.77 0.00 0.00 58.65 59.11 1a9x h GLN 932 Cb 0.18 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1a9x h GLN 932 CO -0.01 1.02 -0.35 1.25 -1.93 0.00 0.00 178.83 178.82 1a9x h LEU 933 N 1.07 0.67 -1.66 -2.39 5.85 -0.88 -2.78 115.31 115.19 1a9x h LEU 933 Ca 0.21 -0.53 0.14 0.00 0.84 0.00 0.00 57.88 58.55 1a9x h LEU 933 Cb 0.42 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1a9x h LEU 933 CO 0.01 1.07 0.47 1.23 -0.34 0.00 0.00 178.44 180.88 1a9x h GLY 934 N 0.30 0.56 -0.83 3.75 0.00 -0.58 -0.25 103.07 106.02 1a9x h GLY 934 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1a9x h GLY 934 CO 0.08 0.06 0.00 -1.14 0.00 0.00 0.00 176.54 175.54 1a9x n SER 935 N -4.46 1.05 -1.53 0.19 3.41 -0.58 -4.71 113.62 106.98 1a9x n SER 935 Ca 0.13 -2.06 -0.14 0.00 -0.26 0.00 0.00 58.87 56.54 1a9x n SER 935 Cb 0.52 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1a9x n SER 935 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a9x n ASN 936 N -0.07 -4.39 -4.76 4.04 4.05 -0.10 -4.90 115.26 109.12 1a9x n ASN 936 Ca 0.03 0.04 -0.41 0.00 0.45 0.00 0.00 54.58 54.70 1a9x n ASN 936 Cb 0.22 -3.49 -0.02 0.00 1.23 0.00 0.00 39.78 37.72 1a9x n ASN 936 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1a9x s SER 937 N -2.44 6.74 -0.04 1.20 0.15 -1.06 -4.93 113.70 113.32 1a9x s SER 937 Ca 0.00 2.69 0.14 0.00 0.70 0.00 0.00 55.95 59.48 1a9x s SER 937 Cb 0.00 -2.64 0.47 0.00 -1.71 0.00 0.00 66.02 62.14 1a9x s SER 937 CO 0.00 -0.58 1.36 0.35 1.20 0.00 0.00 173.24 175.58 1a9x n THR 938 N 1.10 0.96 -1.63 6.45 -2.24 -1.26 -4.88 114.28 112.79 1a9x n THR 938 Ca 0.01 -0.74 -0.47 0.00 -2.27 0.00 0.00 64.05 60.58 1a9x n THR 938 Cb 0.41 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1a9x n THR 938 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1a9x n MET 939 N 0.84 1.67 -3.75 -0.78 0.00 -1.26 -4.51 117.12 109.33 1a9x n MET 939 Ca 0.17 0.60 -0.22 0.00 -0.00 0.00 0.00 57.70 58.25 1a9x n MET 939 Cb 0.54 -2.22 -0.04 0.00 0.00 0.00 0.00 33.22 31.49 1a9x n MET 939 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1a9x s LYS 940 N -0.04 2.43 0.00 2.12 -0.14 -1.26 -5.04 119.74 117.81 1a9x s LYS 940 Ca 0.74 -1.65 0.24 0.00 -1.36 0.00 0.00 55.97 53.94 1a9x s LYS 940 Cb -0.76 -2.24 0.55 0.00 -1.68 0.00 0.00 37.83 33.70 1a9x s LYS 940 CO 0.48 -0.18 1.46 1.63 -0.76 0.00 0.00 175.35 177.98 1a9x n LYS 941 N -1.45 2.10 -4.07 1.68 5.02 -1.26 -4.94 118.16 115.24 1a9x n LYS 941 Ca 0.02 -1.62 -0.13 0.00 -2.02 0.00 0.00 58.31 54.56 1a9x n LYS 941 Cb 0.63 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 1a9x n LYS 941 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1a9x s HIS 942 N -1.86 0.87 0.00 2.13 -3.43 -1.26 -4.86 115.29 106.88 1a9x s HIS 942 Ca 0.34 -1.14 0.00 0.00 -0.80 0.00 0.00 55.06 53.46 1a9x s HIS 942 Cb 0.20 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 1a9x s HIS 942 CO 0.31 -1.04 0.00 0.41 -2.00 0.00 0.00 174.74 172.41 1a9x n GLY 943 N -0.48 0.28 3.34 -1.38 0.00 -1.26 -4.83 105.19 100.86 1a9x n GLY 943 Ca 0.00 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1a9x n GLY 943 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a9x s ARG 944 N 0.00 2.83 -0.04 1.61 3.52 -1.26 -0.26 118.95 125.35 1a9x s ARG 944 Ca 0.00 -0.79 0.04 0.00 -0.13 0.00 0.00 55.73 54.85 1a9x s ARG 944 Cb 0.00 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 31.00 1a9x s ARG 944 CO 0.00 0.37 -0.15 0.00 -0.81 0.00 0.00 175.30 174.71 1a9x s ALA 945 N -0.10 2.62 -0.24 6.12 0.00 -0.19 -1.04 121.76 128.93 1a9x s ALA 945 Ca -0.04 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 1a9x s ALA 945 Cb -0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 1a9x s ALA 945 CO 0.04 0.56 0.08 -1.17 0.00 0.00 0.00 175.76 175.26 1a9x s LEU 946 N -0.78 3.53 -0.19 0.00 2.96 -0.39 -0.79 118.68 123.03 1a9x s LEU 946 Ca 0.12 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1a9x s LEU 946 Cb -0.11 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 1a9x s LEU 946 CO 0.01 -0.00 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.19 1a9x s LEU 947 N 1.44 2.78 -0.33 -0.68 1.02 -0.30 -0.93 118.68 121.69 1a9x s LEU 947 Ca 0.06 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 53.83 1a9x s LEU 947 Cb -0.15 -1.68 0.14 0.00 0.02 0.00 0.00 46.19 44.53 1a9x s LEU 947 CO 0.04 0.04 0.31 -0.55 0.02 0.00 0.00 176.35 176.21 1a9x s SER 948 N 1.09 1.74 0.23 2.29 0.15 -0.46 -3.10 113.70 115.64 1a9x s SER 948 Ca 0.01 -1.25 0.11 0.00 0.70 0.00 0.00 55.95 55.51 1a9x s SER 948 Cb -0.15 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 64.50 1a9x s SER 948 CO -0.02 -0.34 -0.16 0.68 1.20 0.00 0.00 173.24 174.61 1a9x s VAL 949 N 1.86 2.73 0.78 4.45 -7.23 -1.26 -1.83 120.40 119.89 1a9x s VAL 949 Ca 0.13 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 1a9x s VAL 949 Cb -0.15 -2.39 0.06 0.00 0.56 0.00 0.00 36.38 34.45 1a9x s VAL 949 CO -0.19 -0.26 1.10 0.00 -0.31 0.00 0.00 175.10 175.45 1a9x s ARG 950 N -3.17 2.27 0.27 4.82 1.70 -0.98 -4.79 118.95 119.06 1a9x s ARG 950 Ca 0.27 0.54 -0.06 0.00 -0.47 0.00 0.00 55.73 56.01 1a9x s ARG 950 Cb -0.07 -1.95 0.50 0.00 -0.57 0.00 0.00 34.95 32.86 1a9x s ARG 950 CO 0.14 -1.47 1.59 1.49 -1.08 0.00 0.00 175.30 175.98 1a9x h GLU 951 N -0.97 0.03 -0.82 3.89 4.57 -1.98 0.12 114.58 119.43 1a9x h GLU 951 Ca -0.46 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.72 1a9x h GLU 951 Cb 1.27 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.81 1a9x h GLU 951 CO 0.61 0.02 0.54 0.78 -1.18 0.00 0.00 179.01 179.78 1a9x h GLY 952 N 0.03 1.15 2.00 1.92 0.00 -2.01 -2.40 103.07 103.77 1a9x h GLY 952 Ca 0.47 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1a9x h GLY 952 CO -0.85 0.42 0.00 -0.55 0.00 0.00 0.00 176.54 175.56 1a9x h ASP 953 N 1.11 0.00 -1.11 0.19 3.32 -1.35 -3.36 116.42 115.23 1a9x h ASP 953 Ca 0.30 0.00 0.31 0.00 0.02 0.00 0.00 57.03 57.66 1a9x h ASP 953 Cb -0.13 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.35 1a9x h ASP 953 CO -0.06 0.00 0.76 0.11 -1.72 0.00 0.00 179.24 178.32 1a9x h LYS 954 N 0.00 0.17 0.02 3.56 1.57 -0.82 -0.63 116.57 120.44 1a9x h LYS 954 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1a9x h LYS 954 Cb 0.79 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1a9x h LYS 954 CO 0.00 0.11 -0.01 1.49 -0.57 0.00 0.00 179.45 180.47 1a9x h GLU 955 N 0.18 -0.03 0.00 3.15 4.57 -1.77 -3.31 114.58 117.37 1a9x h GLU 955 Ca 0.58 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.76 1a9x h GLU 955 Cb 1.90 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.50 1a9x h GLU 955 CO -0.15 0.64 -0.10 0.54 -1.18 0.00 0.00 179.01 178.75 1a9x n ARG 956 N -4.77 0.02 0.18 1.92 1.74 -1.01 -3.52 116.66 111.22 1a9x n ARG 956 Ca -0.09 0.01 0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1a9x n ARG 956 Cb 0.34 -1.52 0.33 0.00 -1.02 0.00 0.00 32.46 30.59 1a9x n ARG 956 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1a9x h VAL 957 N 0.00 1.25 -0.14 1.55 3.04 -1.21 -2.86 116.25 117.89 1a9x h VAL 957 Ca 0.00 -1.44 0.04 0.00 -1.01 0.00 0.00 66.70 64.29 1a9x h VAL 957 Cb 0.52 1.79 -0.05 0.00 -2.01 0.00 0.00 31.29 31.54 1a9x h VAL 957 CO 0.00 0.41 -0.14 0.58 -1.01 0.00 0.00 177.57 177.41 1a9x h VAL 958 N 0.00 0.62 -0.24 1.51 2.07 -1.72 0.88 116.25 119.38 1a9x h VAL 958 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1a9x h VAL 958 Cb 0.75 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1a9x h VAL 958 CO 0.05 0.00 0.09 -0.78 0.02 0.00 0.00 177.57 176.95 1a9x h ASP 959 N -0.16 0.29 -0.12 0.57 3.58 -1.75 -1.26 116.42 117.57 1a9x h ASP 959 Ca 0.09 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 1a9x h ASP 959 Cb 0.30 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1a9x h ASP 959 CO -0.24 0.28 -0.30 0.25 -2.88 0.00 0.00 179.24 176.35 1a9x h LEU 960 N 0.33 0.46 -0.71 2.28 5.85 -1.12 -2.67 115.31 119.74 1a9x h LEU 960 Ca 0.08 -0.59 0.13 0.00 0.84 0.00 0.00 57.88 58.35 1a9x h LEU 960 Cb 0.08 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.89 1a9x h LEU 960 CO -0.01 0.97 0.26 0.00 -0.34 0.00 0.00 178.44 179.32 1a9x h ALA 961 N 0.51 0.96 -0.50 1.25 0.00 -0.06 -1.07 119.26 120.35 1a9x h ALA 961 Ca -0.00 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1a9x h ALA 961 Cb 0.91 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1a9x h ALA 961 CO 0.07 -0.22 -0.07 0.00 0.00 0.00 0.00 179.25 179.03 1a9x h ALA 962 N 1.51 0.93 -0.62 0.00 0.00 -1.25 -0.31 119.26 119.52 1a9x h ALA 962 Ca 0.38 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1a9x h ALA 962 Cb 0.55 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1a9x h ALA 962 CO -0.38 0.63 0.23 0.87 0.00 0.00 0.00 179.25 180.60 1a9x h LYS 963 N 0.82 0.90 -0.09 0.00 1.57 -1.01 1.54 116.57 120.30 1a9x h LYS 963 Ca 0.14 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1a9x h LYS 963 Cb 0.58 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1a9x h LYS 963 CO 0.04 0.75 -0.62 -0.07 -0.57 0.00 0.00 179.45 178.97 1a9x h LEU 964 N 0.89 0.39 0.11 2.94 3.38 -0.89 -1.94 115.31 120.18 1a9x h LEU 964 Ca 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1a9x h LEU 964 Cb 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1a9x h LEU 964 CO -0.02 0.91 -0.05 -0.07 0.09 0.00 0.00 178.44 179.30 1a9x h LEU 965 N 0.25 -0.12 -2.13 1.67 3.38 -0.05 -0.49 115.31 117.82 1a9x h LEU 965 Ca -0.01 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.73 1a9x h LEU 965 Cb 1.15 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1a9x h LEU 965 CO 0.10 0.25 0.31 0.50 0.09 0.00 0.00 178.44 179.69 1a9x h LYS 966 N -0.50 0.00 0.00 1.13 3.64 0.23 0.84 116.57 121.91 1a9x h LYS 966 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1a9x h LYS 966 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1a9x h LYS 966 CO 0.02 0.00 -0.48 0.94 -2.27 0.00 0.00 179.45 177.66 1a9x n GLN 967 N -3.61 0.04 0.00 1.90 -0.06 -0.74 -4.93 117.38 109.98 1a9x n GLN 967 Ca 0.03 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 1a9x n GLN 967 Cb 0.44 -1.53 0.00 0.00 -4.06 0.00 0.00 30.24 25.09 1a9x n GLN 967 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a9x n GLY 968 N 1.48 0.79 3.88 1.69 0.00 0.29 -4.86 105.19 108.45 1a9x n GLY 968 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1a9x n GLY 968 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 969 N -2.00 3.51 0.33 1.61 0.40 -0.23 -4.50 117.98 117.09 1a9x s PHE 969 Ca 0.00 1.05 0.05 0.00 -0.60 0.00 0.00 56.93 57.43 1a9x s PHE 969 Cb 0.00 -2.47 -0.02 0.00 0.51 0.00 0.00 43.02 41.05 1a9x s PHE 969 CO 0.00 -0.22 0.47 -1.21 0.70 0.00 0.00 175.22 174.96 1a9x s GLU 970 N -4.20 3.22 0.06 0.44 2.02 0.64 -4.43 118.70 116.45 1a9x s GLU 970 Ca 0.51 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.73 1a9x s GLU 970 Cb -0.10 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 1a9x s GLU 970 CO 0.37 0.12 -0.15 -0.51 0.02 0.00 0.00 175.26 175.10 1a9x s LEU 971 N -4.19 2.23 0.13 1.80 1.43 -1.26 -1.02 118.68 117.80 1a9x s LEU 971 Ca 0.42 -0.56 0.10 0.00 -1.03 0.00 0.00 54.13 53.07 1a9x s LEU 971 Cb -0.09 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 1a9x s LEU 971 CO 0.32 -0.00 -0.24 -1.81 0.23 0.00 0.00 176.35 174.84 1a9x s ASP 972 N -1.49 3.06 -0.05 2.29 1.11 0.03 -0.58 116.67 121.04 1a9x s ASP 972 Ca 0.01 -0.75 -0.25 0.00 0.18 0.00 0.00 52.55 51.73 1a9x s ASP 972 Cb -0.09 -0.20 0.06 0.00 1.07 0.00 0.00 42.92 43.76 1a9x s ASP 972 CO 0.02 0.12 0.56 0.00 1.18 0.00 0.00 175.17 177.06 1a9x s ALA 973 N -1.22 -1.46 0.60 5.23 0.00 -0.61 -1.15 121.76 123.15 1a9x s ALA 973 Ca 0.13 1.06 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 1a9x s ALA 973 Cb -0.09 -0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.01 1a9x s ALA 973 CO 0.06 -0.33 0.86 0.95 0.00 0.00 0.00 175.76 177.29 1a9x s THR 974 N -1.10 2.53 0.00 0.00 -4.23 -1.18 -1.16 115.64 110.50 1a9x s THR 974 Ca -0.11 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1a9x s THR 974 Cb -0.02 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1a9x s THR 974 CO 0.07 0.00 0.12 1.57 -0.54 0.00 0.00 174.62 175.84 1a9x n HIS 975 N -2.54 0.00 0.28 3.99 -0.00 -1.26 -0.52 115.22 115.17 1a9x n HIS 975 Ca 0.08 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.41 1a9x n HIS 975 Cb 0.60 0.00 0.83 0.00 -0.12 0.00 0.00 29.99 31.29 1a9x n HIS 975 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1a9x h GLY 976 N 0.00 0.00 0.97 1.57 0.00 -1.96 -1.81 103.07 101.84 1a9x h GLY 976 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1a9x h GLY 976 CO 0.00 0.00 -0.52 -0.84 0.00 0.00 0.00 176.54 175.18 1a9x h THR 977 N 0.00 1.33 -1.00 4.70 2.02 -1.66 -2.35 112.91 115.95 1a9x h THR 977 Ca -0.00 -1.78 0.07 0.00 0.77 0.00 0.00 66.41 65.47 1a9x h THR 977 Cb 0.20 2.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.54 1a9x h THR 977 CO 0.01 0.55 0.65 0.00 0.37 0.00 0.00 175.52 177.10 1a9x h ALA 978 N 0.54 1.39 -0.03 6.16 0.00 -0.02 -0.80 119.26 126.51 1a9x h ALA 978 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a9x h ALA 978 Cb 1.14 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1a9x h ALA 978 CO 0.11 0.44 0.01 0.82 0.00 0.00 0.00 179.25 180.63 1a9x h ILE 979 N 1.18 0.99 -0.45 0.00 1.08 -1.24 0.55 117.51 119.62 1a9x h ILE 979 Ca 0.43 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.88 1a9x h ILE 979 Cb 0.16 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 1a9x h ILE 979 CO -0.17 0.00 0.24 0.58 -0.69 0.00 0.00 178.15 178.11 1a9x h VAL 980 N 0.02 1.17 -0.40 1.67 2.07 -0.83 -0.77 116.25 119.18 1a9x h VAL 980 Ca 0.01 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1a9x h VAL 980 Cb 0.01 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1a9x h VAL 980 CO -0.01 0.18 -0.05 -0.07 0.02 0.00 0.00 177.57 177.64 1a9x h LEU 981 N 0.59 0.73 -0.19 2.57 3.38 -0.94 -2.91 115.31 118.55 1a9x h LEU 981 Ca 0.16 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1a9x h LEU 981 Cb 0.07 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1a9x h LEU 981 CO -0.02 0.89 -0.20 1.23 0.09 0.00 0.00 178.44 180.43 1a9x h GLY 982 N 0.55 -0.13 2.00 0.83 0.00 0.13 0.23 103.07 106.68 1a9x h GLY 982 Ca 0.11 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1a9x h GLY 982 CO 0.03 -0.18 0.00 1.18 0.00 0.00 0.00 176.54 177.57 1a9x n GLU 983 N -5.35 0.04 0.00 4.80 1.02 -0.33 -0.15 120.64 120.69 1a9x n GLU 983 Ca -0.02 0.52 0.07 0.00 -0.02 0.00 0.00 57.16 57.71 1a9x n GLU 983 Cb 0.26 -1.64 -0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1a9x n GLU 983 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x n ALA 984 N -1.59 3.09 0.00 0.62 0.00 -0.09 -4.94 120.51 117.60 1a9x n ALA 984 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1a9x n ALA 984 Cb 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1a9x n ALA 984 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 985 N 1.07 0.70 3.69 0.00 0.00 0.79 -5.06 105.19 106.39 1a9x n GLY 985 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1a9x n GLY 985 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 986 N -2.00 5.36 -0.36 -0.61 1.01 0.61 -4.94 121.20 120.26 1a9x s ILE 986 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.94 1a9x s ILE 986 Cb 0.00 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 39.05 1a9x s ILE 986 CO 0.00 0.38 0.08 0.20 0.00 0.00 0.00 174.94 175.60 1a9x s ASN 987 N 0.74 4.82 0.79 3.58 0.02 -1.26 -1.43 114.94 122.20 1a9x s ASN 987 Ca 0.10 -2.18 -0.11 0.00 -1.02 0.00 0.00 52.86 49.64 1a9x s ASN 987 Cb -0.13 -1.66 0.06 0.00 0.02 0.00 0.00 41.25 39.55 1a9x s ASN 987 CO 0.02 -0.40 1.10 -2.16 0.02 0.00 0.00 177.10 175.69 1a9x s PRO 988 N 0.88 2.17 0.03 -0.60 0.04 -1.26 -4.98 135.00 131.27 1a9x s PRO 988 Ca 0.11 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.44 1a9x s PRO 988 Cb -0.20 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1a9x s PRO 988 CO -0.07 -1.55 1.10 0.50 0.04 0.00 0.00 177.00 177.02 1a9x s ARG 989 N -5.20 4.49 0.30 4.56 3.52 0.26 -4.83 118.95 122.04 1a9x s ARG 989 Ca 0.60 1.60 -0.28 0.00 -0.13 0.00 0.00 55.73 57.52 1a9x s ARG 989 Cb -0.14 -3.41 -0.09 0.00 -1.56 0.00 0.00 34.95 29.75 1a9x s ARG 989 CO 0.54 -0.17 1.07 -1.17 -0.81 0.00 0.00 175.30 174.75 1a9x s LEU 990 N 1.10 4.49 0.01 -0.88 2.96 -1.26 -1.57 118.68 123.53 1a9x s LEU 990 Ca 0.55 2.19 0.05 0.00 -0.22 0.00 0.00 54.13 56.70 1a9x s LEU 990 Cb -0.25 -3.73 -0.02 0.00 0.50 0.00 0.00 46.19 42.69 1a9x s LEU 990 CO 0.28 -0.17 -0.16 0.54 -1.32 0.00 0.00 176.35 175.52 1a9x s VAL 991 N -1.26 1.25 0.21 1.68 0.11 -0.31 -4.85 120.40 117.23 1a9x s VAL 991 Ca 0.46 -0.85 -0.28 0.00 -2.93 0.00 0.00 61.98 58.39 1a9x s VAL 991 Cb -0.29 -1.08 -0.09 0.00 -1.53 0.00 0.00 36.38 33.39 1a9x s VAL 991 CO 0.37 0.22 0.87 0.20 -3.33 0.00 0.00 175.10 173.43 1a9x s ASN 992 N -0.73 7.53 0.85 3.54 0.02 -1.23 -4.32 114.94 120.59 1a9x s ASN 992 Ca 0.05 1.81 -0.12 0.00 -1.02 0.00 0.00 52.86 53.58 1a9x s ASN 992 Cb -0.07 -2.56 0.10 0.00 0.02 0.00 0.00 41.25 38.74 1a9x s ASN 992 CO 0.00 0.18 1.12 -0.54 0.02 0.00 0.00 177.10 177.88 1a9x s LYS 993 N -1.16 1.68 0.34 -0.60 1.02 -1.26 -2.14 119.74 117.61 1a9x s LYS 993 Ca 0.39 0.47 0.09 0.00 0.02 0.00 0.00 55.97 56.93 1a9x s LYS 993 Cb -0.25 -1.89 0.80 0.00 -0.52 0.00 0.00 37.83 35.98 1a9x s LYS 993 CO 0.29 -1.87 1.85 0.28 -0.92 0.00 0.00 175.35 174.98 1a9x h VAL 994 N -1.26 0.80 -0.04 3.17 2.07 -1.97 -1.78 116.25 117.24 1a9x h VAL 994 Ca -0.49 -0.24 -0.24 0.00 0.82 0.00 0.00 66.70 66.56 1a9x h VAL 994 Cb 1.30 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1a9x h VAL 994 CO 0.61 0.13 -0.92 1.12 0.02 0.00 0.00 177.57 178.53 1a9x h HIS 995 N 0.71 0.86 -0.51 1.57 2.07 -2.01 -3.31 115.15 114.53 1a9x h HIS 995 Ca 0.48 -0.44 0.09 0.00 -2.85 0.00 0.00 60.37 57.66 1a9x h HIS 995 Cb 0.78 -0.11 -0.03 0.00 2.57 0.00 0.00 27.41 30.62 1a9x h HIS 995 CO -0.00 1.26 0.35 0.93 -3.07 0.00 0.00 177.93 177.39 1a9x h GLU 996 N 0.36 0.27 0.00 5.12 5.08 -1.66 -3.48 114.58 120.28 1a9x h GLU 996 Ca -0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1a9x h GLU 996 Cb 1.55 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1a9x h GLU 996 CO 0.17 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.77 1a9x n GLY 997 N -1.55 0.94 3.45 -3.84 0.00 -1.18 -4.93 105.19 98.09 1a9x n GLY 997 Ca 0.08 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 1a9x n GLY 997 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a9x s ARG 998 N -1.52 1.65 0.33 1.61 0.52 -1.26 -3.59 118.95 116.68 1a9x s ARG 998 Ca 0.00 -1.26 -0.26 0.00 -0.52 0.00 0.00 55.73 53.69 1a9x s ARG 998 Cb 0.00 -2.03 -0.10 0.00 0.52 0.00 0.00 34.95 33.35 1a9x s ARG 998 CO 0.00 0.46 0.96 -2.14 0.02 0.00 0.00 175.30 174.60 1a9x s PRO 999 N -2.18 4.55 0.54 3.54 0.02 -1.26 -5.07 135.00 135.14 1a9x s PRO 999 Ca 0.17 1.35 0.07 0.00 0.02 0.00 0.00 61.00 62.61 1a9x s PRO 999 Cb -0.10 -2.78 0.05 0.00 0.02 0.00 0.00 34.50 31.69 1a9x s PRO 999 CO 0.09 0.24 0.54 -3.38 -0.33 0.00 0.00 177.00 174.16 1a9x s HIS 1000N -1.62 1.69 0.19 6.54 -3.43 -1.24 -3.56 115.29 113.87 1a9x s HIS 1000Ca 0.51 -0.76 -0.14 0.00 -0.80 0.00 0.00 55.06 53.87 1a9x s HIS 1000Cb -0.19 -2.05 0.19 0.00 -1.43 0.00 0.00 32.58 29.10 1a9x s HIS 1000CO 0.24 -0.67 1.66 0.82 -2.00 0.00 0.00 174.74 174.79 1a9x h ILE 1001N 0.58 0.51 -0.42 -5.38 2.04 -1.73 0.84 117.51 113.94 1a9x h ILE 1001Ca -0.35 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.58 1a9x h ILE 1001Cb 1.29 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.76 1a9x h ILE 1001CO 0.51 0.01 -0.10 -0.61 0.00 0.00 0.00 178.15 177.96 1a9x h GLN 1002N 0.04 0.01 0.01 2.37 -0.00 -1.91 0.72 115.11 116.34 1a9x h GLN 1002Ca 0.26 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.91 1a9x h GLN 1002Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.88 1a9x h GLN 1002CO -0.51 0.01 -0.00 -0.44 0.00 0.00 0.00 178.83 177.88 1a9x h ASP 1003N 0.01 -0.01 -0.37 -0.69 3.32 -1.71 0.58 116.42 117.55 1a9x h ASP 1003Ca 0.20 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1a9x h ASP 1003Cb 0.31 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1a9x h ASP 1003CO -0.42 0.09 0.16 0.03 -1.72 0.00 0.00 179.24 177.39 1a9x h ARG 1004N -0.12 0.33 -0.46 3.56 3.08 -0.03 0.32 114.38 121.07 1a9x h ARG 1004Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1a9x h ARG 1004Cb 0.11 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1a9x h ARG 1004CO 0.00 0.22 0.29 0.82 -1.07 0.00 0.00 179.97 180.23 1a9x h ILE 1005N 0.34 1.14 -0.61 2.04 2.04 0.62 -0.65 117.51 122.43 1a9x h ILE 1005Ca 0.16 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1a9x h ILE 1005Cb 0.09 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1a9x h ILE 1005CO -0.13 0.14 0.41 0.50 0.00 0.00 0.00 178.15 179.06 1a9x h LYS 1006N 0.62 0.67 0.00 2.37 3.64 0.76 -1.80 116.57 122.83 1a9x h LYS 1006Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1a9x h LYS 1006Cb -0.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1a9x h LYS 1006CO -0.03 0.44 0.00 0.09 -2.27 0.00 0.00 179.45 177.68 1a9x n ASN 1007N -4.47 0.28 0.00 4.20 5.03 0.11 -4.91 115.26 115.51 1a9x n ASN 1007Ca 0.08 0.53 0.00 0.00 0.87 0.00 0.00 54.58 56.05 1a9x n ASN 1007Cb 0.16 -0.60 0.00 0.00 -1.02 0.00 0.00 39.78 38.32 1a9x n ASN 1007CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a9x n GLY 1008N 1.42 0.73 0.18 7.41 0.00 -0.56 -4.95 105.19 109.42 1a9x n GLY 1008Ca 0.06 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1a9x n GLY 1008CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a9x h GLU 1009N 0.84 0.00 -6.57 1.61 5.08 -1.39 -3.44 114.58 110.71 1a9x h GLU 1009Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 1a9x h GLU 1009Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 1a9x h GLU 1009CO 0.00 0.00 -0.80 0.71 -1.00 0.00 0.00 179.01 177.92 1a9x s TYR 1010N -3.49 2.38 0.00 4.33 2.02 -1.26 -4.27 117.35 117.05 1a9x s TYR 1010Ca 0.01 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1a9x s TYR 1010Cb 0.09 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.48 1a9x s TYR 1010CO 0.36 0.51 0.06 0.25 -1.57 0.00 0.00 175.55 175.16 1a9x n THR 1011N 0.20 0.00 -3.73 -0.71 -2.24 -0.21 -4.90 114.28 102.69 1a9x n THR 1011Ca -0.12 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 1a9x n THR 1011Cb 0.56 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 1a9x n THR 1011CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1a9x s TYR 1012N -0.73 -0.47 -0.04 4.78 5.04 -1.11 -3.96 117.35 120.85 1a9x s TYR 1012Ca 0.00 1.14 0.01 0.00 -2.44 0.00 0.00 57.07 55.79 1a9x s TYR 1012Cb 0.00 0.17 0.02 0.00 0.35 0.00 0.00 41.96 42.50 1a9x s TYR 1012CO 0.00 -0.23 -0.05 0.42 -1.34 0.00 0.00 175.55 174.35 1a9x s ILE 1013N 0.31 0.57 -0.25 3.14 1.01 -0.41 -1.26 121.20 124.31 1a9x s ILE 1013Ca -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1a9x s ILE 1013Cb -0.03 -0.58 0.06 0.00 0.01 0.00 0.00 42.46 41.91 1a9x s ILE 1013CO -0.00 0.23 -0.10 -0.51 0.00 0.00 0.00 174.94 174.56 1a9x s ILE 1014N 0.86 1.97 -0.16 2.92 1.10 -0.10 -1.19 121.20 126.60 1a9x s ILE 1014Ca -0.12 -1.46 -0.03 0.00 -0.51 0.00 0.00 60.65 58.54 1a9x s ILE 1014Cb -0.14 -2.10 0.05 0.00 0.15 0.00 0.00 42.46 40.42 1a9x s ILE 1014CO 0.01 -0.01 0.03 0.21 -2.11 0.00 0.00 174.94 173.07 1a9x s ASN 1015N 1.20 2.52 0.10 4.50 3.04 -0.66 -1.36 114.94 124.30 1a9x s ASN 1015Ca -0.07 -0.62 0.09 0.00 0.04 0.00 0.00 52.86 52.31 1a9x s ASN 1015Cb -0.19 -0.52 -0.04 0.00 -1.54 0.00 0.00 41.25 38.96 1a9x s ASN 1015CO -0.06 -0.28 -0.23 0.42 -3.04 0.00 0.00 177.10 173.91 1a9x s THR 1016N 1.92 2.50 0.20 -5.21 -4.23 -0.76 -4.18 115.64 105.89 1a9x s THR 1016Ca 0.01 -1.53 -0.09 0.00 -1.18 0.00 0.00 61.69 58.90 1a9x s THR 1016Cb -0.16 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 1a9x s THR 1016CO -0.07 0.18 0.34 0.28 -0.54 0.00 0.00 174.62 174.80 1a9x s THR 1017N -1.02 0.03 -0.28 3.99 -1.32 -1.26 -2.33 115.64 113.44 1a9x s THR 1017Ca 0.15 -1.50 -0.09 0.00 -1.21 0.00 0.00 61.69 59.04 1a9x s THR 1017Cb -0.10 -2.10 0.13 0.00 -1.51 0.00 0.00 72.50 68.92 1a9x s THR 1017CO 0.07 -0.12 0.60 -0.55 -2.21 0.00 0.00 174.62 172.40 1a9x s SER 1018N -3.02 -0.97 0.00 8.08 0.15 -1.26 -4.94 113.70 111.75 1a9x s SER 1018Ca 0.23 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1a9x s SER 1018Cb 0.02 2.10 0.00 0.00 -1.71 0.00 0.00 66.02 66.43 1a9x s SER 1018CO 0.06 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1a9x n GLY 1019N 5.44 1.99 0.14 9.45 0.00 -1.26 -4.58 105.19 116.36 1a9x n GLY 1019Ca -0.11 -1.15 -0.00 0.00 0.00 0.00 0.00 46.02 44.76 1a9x n GLY 1019CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a9x n ARG 1020N 1.98 -0.08 0.05 1.61 3.00 -1.26 0.12 116.66 122.08 1a9x n ARG 1020Ca 0.00 0.54 -0.13 0.00 -0.00 0.00 0.00 57.85 58.26 1a9x n ARG 1020Cb 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 32.46 31.57 1a9x n ARG 1020CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1a9x h ARG 1021N 0.00 -0.11 -0.73 -0.14 2.43 -1.99 0.26 114.38 114.11 1a9x h ARG 1021Ca 0.12 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.40 1a9x h ARG 1021Cb 0.21 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 1a9x h ARG 1021CO -0.35 0.19 0.36 0.00 -1.51 0.00 0.00 179.97 178.66 1a9x h ALA 1022N 0.47 1.02 -0.74 2.80 0.00 0.67 -0.81 119.26 122.67 1a9x h ALA 1022Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1a9x h ALA 1022Cb 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1a9x h ALA 1022CO 0.02 -0.06 0.40 0.82 0.00 0.00 0.00 179.25 180.43 1a9x h ILE 1023N 0.59 1.23 -0.60 0.00 2.04 -0.26 -2.79 117.51 117.72 1a9x h ILE 1023Ca 0.37 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1a9x h ILE 1023Cb 0.41 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1a9x h ILE 1023CO -0.29 0.25 0.35 -0.33 0.00 0.00 0.00 178.15 178.14 1a9x h GLU 1024N 1.02 0.82 0.08 2.37 5.08 0.49 -3.02 114.58 121.42 1a9x h GLU 1024Ca 0.26 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1a9x h GLU 1024Cb 0.04 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1a9x h GLU 1024CO -0.04 0.60 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.09 1a9x h ASP 1025N 0.82 -0.09 0.01 1.42 3.32 -1.19 -2.89 116.42 117.83 1a9x h ASP 1025Ca 0.22 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1a9x h ASP 1025Cb -0.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1a9x h ASP 1025CO -0.04 0.15 0.00 -1.54 -1.72 0.00 0.00 179.24 176.09 1a9x n SER 1026N -5.03 0.00 -0.17 6.45 3.41 -1.07 -3.75 113.62 113.46 1a9x n SER 1026Ca -0.08 -0.31 0.26 0.00 -0.26 0.00 0.00 58.87 58.48 1a9x n SER 1026Cb 0.16 -0.02 0.68 0.00 -0.26 0.00 0.00 64.21 64.77 1a9x n SER 1026CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1a9x h ARG 1027N 0.00 0.08 0.00 4.33 2.43 -1.37 -2.13 114.38 117.72 1a9x h ARG 1027Ca 0.00 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1a9x h ARG 1027Cb 0.01 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1a9x h ARG 1027CO 0.00 0.05 -0.19 -0.24 -1.51 0.00 0.00 179.97 178.08 1a9x h VAL 1028N 0.08 1.13 0.62 0.20 3.04 -1.84 -2.33 116.25 117.15 1a9x h VAL 1028Ca 0.41 -0.66 -0.03 0.00 -1.01 0.00 0.00 66.70 65.42 1a9x h VAL 1028Cb 1.51 1.36 0.01 0.00 -2.01 0.00 0.00 31.29 32.15 1a9x h VAL 1028CO -0.04 0.19 -0.30 0.40 -1.01 0.00 0.00 177.57 176.81 1a9x h ILE 1029N 0.00 0.12 -0.59 3.17 2.04 -1.70 -0.22 117.51 120.33 1a9x h ILE 1029Ca -0.00 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1a9x h ILE 1029Cb 0.34 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1a9x h ILE 1029CO 0.02 0.02 0.36 0.03 0.00 0.00 0.00 178.15 178.58 1a9x h ARG 1030N -1.16 0.69 -0.26 2.37 3.08 -1.68 0.51 114.38 117.93 1a9x h ARG 1030Ca -0.08 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.97 1a9x h ARG 1030Cb 0.66 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 1a9x h ARG 1030CO 0.14 0.45 0.00 0.00 -1.07 0.00 0.00 179.97 179.49 1a9x h ARG 1031N 0.71 0.08 -0.36 0.04 3.08 -1.47 0.16 114.38 116.61 1a9x h ARG 1031Ca 0.24 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 1a9x h ARG 1031Cb 0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1a9x h ARG 1031CO -0.10 0.05 -0.08 0.77 -1.07 0.00 0.00 179.97 179.54 1a9x h SER 1032N 0.08 0.69 -0.81 7.04 0.02 -0.17 -0.94 113.55 119.46 1a9x h SER 1032Ca 0.12 -0.36 0.10 0.00 -0.84 0.00 0.00 61.79 60.81 1a9x h SER 1032Cb 0.16 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.43 1a9x h SER 1032CO -0.20 0.89 0.45 0.00 -1.14 0.00 0.00 176.83 176.83 1a9x h ALA 1033N 0.82 1.17 -0.13 3.77 0.00 0.41 0.56 119.26 125.86 1a9x h ALA 1033Ca 0.09 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1a9x h ALA 1033Cb 0.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a9x h ALA 1033CO 0.03 0.04 -0.18 1.25 0.00 0.00 0.00 179.25 180.40 1a9x h LEU 1034N 0.73 0.37 -0.73 0.00 5.85 -0.51 -0.84 115.31 120.18 1a9x h LEU 1034Ca 0.40 -0.52 0.06 0.00 0.84 0.00 0.00 57.88 58.67 1a9x h LEU 1034Cb 0.42 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1a9x h LEU 1034CO -0.27 0.82 0.42 -0.61 -0.34 0.00 0.00 178.44 178.46 1a9x h GLN 1035N -0.06 0.74 -0.06 1.25 4.15 -0.43 -2.30 115.11 118.40 1a9x h GLN 1035Ca 0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1a9x h GLN 1035Cb 0.74 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1a9x h GLN 1035CO 0.04 0.49 0.00 0.66 -1.93 0.00 0.00 178.83 178.09 1a9x n TYR 1036N -4.74 0.08 -2.12 3.99 4.01 0.19 -4.94 117.16 113.62 1a9x n TYR 1036Ca 0.10 -0.04 -0.13 0.00 -0.16 0.00 0.00 57.90 57.67 1a9x n TYR 1036Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 1a9x n TYR 1036CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1a9x n LYS 1037N -0.17 -1.05 -3.44 -0.72 4.76 -0.73 -4.99 118.16 111.83 1a9x n LYS 1037Ca 0.18 0.70 -0.37 0.00 -2.87 0.00 0.00 58.31 55.94 1a9x n LYS 1037Cb 0.24 -4.91 -0.07 0.00 -1.84 0.00 0.00 35.03 28.46 1a9x n LYS 1037CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1a9x s VAL 1038N -2.64 5.26 0.35 -0.18 1.01 -0.40 -4.73 120.40 119.06 1a9x s VAL 1038Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 1a9x s VAL 1038Cb 0.00 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 1a9x s VAL 1038CO 0.00 0.36 1.47 -2.28 0.00 0.00 0.00 175.10 174.65 1a9x s HIS 1039N 0.56 2.71 -0.03 5.22 2.46 -1.25 -4.59 115.29 120.37 1a9x s HIS 1039Ca 0.20 1.14 -0.08 0.00 0.47 0.00 0.00 55.06 56.79 1a9x s HIS 1039Cb -0.14 -3.96 0.01 0.00 -0.13 0.00 0.00 32.58 28.36 1a9x s HIS 1039CO 0.07 -2.89 0.19 1.52 -2.47 0.00 0.00 174.74 171.16 1a9x s TYR 1040N -0.89 -0.08 0.05 3.88 1.13 -1.26 -1.28 117.35 118.89 1a9x s TYR 1040Ca 0.54 0.15 0.07 0.00 -1.41 0.00 0.00 57.07 56.42 1a9x s TYR 1040Cb -0.45 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.39 1a9x s TYR 1040CO 0.58 -0.25 -0.16 -0.51 -2.51 0.00 0.00 175.55 172.71 1a9x s ASP 1041N -0.90 3.97 0.00 -0.18 1.01 -0.33 -4.98 116.67 115.27 1a9x s ASP 1041Ca -0.10 -0.39 0.02 0.00 0.71 0.00 0.00 52.55 52.79 1a9x s ASP 1041Cb -0.05 -0.69 0.03 0.00 1.01 0.00 0.00 42.92 43.22 1a9x s ASP 1041CO 0.02 0.25 0.82 0.35 0.21 0.00 0.00 175.17 176.81 1a9x n THR 1042N 1.43 0.54 -4.25 -1.27 -2.24 -1.26 -1.65 114.28 105.59 1a9x n THR 1042Ca -0.16 -0.77 -0.18 0.00 -2.27 0.00 0.00 64.05 60.67 1a9x n THR 1042Cb 0.52 0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 69.37 1a9x n THR 1042CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a9x s THR 1043N -0.61 0.98 0.22 4.28 -4.23 -1.26 -4.41 115.64 110.61 1a9x s THR 1043Ca 0.03 -1.04 -0.02 0.00 -1.18 0.00 0.00 61.69 59.48 1a9x s THR 1043Cb 0.02 -0.92 -0.00 0.00 1.34 0.00 0.00 72.50 72.94 1a9x s THR 1043CO 0.02 -0.11 1.59 0.25 -0.54 0.00 0.00 174.62 175.84 1a9x h LEU 1044N 4.77 0.61 -1.15 4.79 5.85 -1.94 -1.80 115.31 126.43 1a9x h LEU 1044Ca -0.38 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1a9x h LEU 1044Cb 1.19 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1a9x h LEU 1044CO 0.43 0.94 0.54 0.78 -0.34 0.00 0.00 178.44 180.79 1a9x h ASN 1045N 0.48 0.97 -0.28 1.25 2.35 -1.96 -0.72 115.58 117.66 1a9x h ASN 1045Ca 0.04 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 1a9x h ASN 1045Cb 0.90 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1a9x h ASN 1045CO 0.08 0.71 -0.38 1.23 -1.65 0.00 0.00 177.43 177.42 1a9x h GLY 1046N 1.14 0.90 0.80 2.83 0.00 -1.76 -1.96 103.07 105.02 1a9x h GLY 1046Ca 0.30 -0.90 0.04 0.00 0.00 0.00 0.00 47.33 46.77 1a9x h GLY 1046CO -0.06 0.82 0.32 -1.33 0.00 0.00 0.00 176.54 176.28 1a9x h GLY 1047N 0.88 0.80 1.31 4.60 0.00 -0.43 0.97 103.07 111.20 1a9x h GLY 1047Ca 0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1a9x h GLY 1047CO 0.09 0.18 0.09 0.74 0.00 0.00 0.00 176.54 177.64 1a9x h PHE 1048N 0.62 0.90 -0.50 5.60 0.04 -1.06 0.38 116.94 122.91 1a9x h PHE 1048Ca 0.24 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 1a9x h PHE 1048Cb 0.08 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 1a9x h PHE 1048CO -0.07 0.77 0.00 0.00 -0.60 0.00 0.00 178.31 178.41 1a9x h ALA 1049N 1.28 1.06 -0.54 2.45 0.00 -0.41 -0.18 119.26 122.91 1a9x h ALA 1049Ca 0.17 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1a9x h ALA 1049Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1a9x h ALA 1049CO 0.01 0.59 -0.05 1.15 0.00 0.00 0.00 179.25 180.95 1a9x h THR 1050N 0.78 1.26 -0.02 0.00 2.02 -0.32 -2.41 112.91 114.23 1a9x h THR 1050Ca 0.15 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 1a9x h THR 1050Cb 0.47 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1a9x h THR 1050CO 0.02 0.42 0.01 0.00 0.37 0.00 0.00 175.52 176.33 1a9x h ALA 1051N 1.06 0.02 -0.71 6.16 0.00 -0.47 -2.71 119.26 122.61 1a9x h ALA 1051Ca 0.15 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1a9x h ALA 1051Cb 0.58 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1a9x h ALA 1051CO 0.04 -0.37 0.33 0.52 0.00 0.00 0.00 179.25 179.77 1a9x h MET 1052N -0.17 0.54 0.00 0.00 2.86 -0.85 -0.97 114.93 116.34 1a9x h MET 1052Ca 0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1a9x h MET 1052Cb 0.21 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1a9x h MET 1052CO -0.00 0.36 0.00 0.00 1.06 0.00 0.00 176.91 178.33 1a9x h ALA 1053N 1.45 1.00 0.00 6.32 0.00 -1.22 0.91 119.26 127.72 1a9x h ALA 1053Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1a9x h ALA 1053Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1a9x h ALA 1053CO -0.30 0.00 -0.05 -0.07 0.00 0.00 0.00 179.25 178.84 1a9x h LEU 1054N 0.00 0.00 -0.30 0.00 3.38 -0.86 0.07 115.31 117.60 1a9x h LEU 1054Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a9x h LEU 1054Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1a9x h LEU 1054CO 0.00 0.05 -0.05 0.59 0.09 0.00 0.00 178.44 179.11 1a9x n ASN 1055N -3.54 0.52 -4.81 -0.43 5.03 0.31 -4.88 115.26 107.47 1a9x n ASN 1055Ca -0.02 -0.86 -0.26 0.00 0.87 0.00 0.00 54.58 54.31 1a9x n ASN 1055Cb 0.15 -0.05 -0.05 0.00 -1.02 0.00 0.00 39.78 38.82 1a9x n ASN 1055CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a9x s ALA 1056N -2.25 3.99 -0.31 5.41 0.00 0.01 -5.01 121.76 123.60 1a9x s ALA 1056Ca 0.36 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 1a9x s ALA 1056Cb 0.21 -0.52 0.10 0.00 0.00 0.00 0.00 23.12 22.92 1a9x s ALA 1056CO 0.42 -0.25 0.13 0.34 0.00 0.00 0.00 175.76 176.39 1a9x s ASP 1057N -4.05 3.73 0.60 0.00 2.15 -1.26 -5.01 116.67 112.83 1a9x s ASP 1057Ca 0.35 -1.57 0.30 0.00 0.43 0.00 0.00 52.55 52.06 1a9x s ASP 1057Cb 0.01 -0.62 1.69 0.00 -0.30 0.00 0.00 42.92 43.70 1a9x s ASP 1057CO 0.20 -0.41 2.08 0.00 -0.17 0.00 0.00 175.17 176.87 1a9x h ALA 1058N 8.09 1.74 -0.00 3.66 0.00 -1.88 -1.29 119.26 129.58 1a9x h ALA 1058Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1a9x h ALA 1058Cb 1.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1a9x h ALA 1058CO 0.44 -0.32 -0.58 0.25 0.00 0.00 0.00 179.25 179.04 1a9x n THR 1059N -3.64 0.00 0.06 0.00 -2.24 -1.26 -4.48 114.28 102.72 1a9x n THR 1059Ca 0.02 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 1a9x n THR 1059Cb 0.35 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 1a9x n THR 1059CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1a9x h GLU 1060N 0.76 -0.20 -4.27 -0.78 4.81 -1.65 -3.45 114.58 109.80 1a9x h GLU 1060Ca 0.00 0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 58.96 1a9x h GLU 1060Cb 0.55 0.04 -0.26 0.00 0.63 0.00 0.00 28.75 29.72 1a9x h GLU 1060CO 0.00 -0.13 -0.74 0.21 -0.73 0.00 0.00 179.01 177.62 1a9x s LYS 1061N -6.15 0.38 0.14 1.92 2.20 -1.26 -5.13 119.74 111.83 1a9x s LYS 1061Ca -0.14 -0.36 0.10 0.00 -0.36 0.00 0.00 55.97 55.20 1a9x s LYS 1061Cb 0.08 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.09 1a9x s LYS 1061CO 0.66 0.06 -0.23 0.14 -0.36 0.00 0.00 175.35 175.62 1a9x s VAL 1062N -0.58 2.03 -0.01 4.02 -7.23 -1.26 -5.03 120.40 112.33 1a9x s VAL 1062Ca -0.03 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.36 1a9x s VAL 1062Cb -0.05 -1.85 -0.00 0.00 0.56 0.00 0.00 36.38 35.04 1a9x s VAL 1062CO -0.00 -0.05 0.05 -0.51 -0.31 0.00 0.00 175.10 174.27 1a9x s ILE 1063N -1.33 0.03 0.50 -0.62 2.07 -1.26 -5.12 121.20 115.47 1a9x s ILE 1063Ca 0.13 -0.26 -0.06 0.00 -1.41 0.00 0.00 60.65 59.04 1a9x s ILE 1063Cb -0.09 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 1a9x s ILE 1063CO 0.06 -0.14 0.82 -0.94 -1.91 0.00 0.00 174.94 172.83 1a9x s SER 1064N -0.43 6.27 0.27 4.50 1.04 -1.26 -4.47 113.70 119.63 1a9x s SER 1064Ca -0.05 1.01 -0.01 0.00 0.48 0.00 0.00 55.95 57.38 1a9x s SER 1064Cb -0.03 -2.28 0.38 0.00 0.10 0.00 0.00 66.02 64.18 1a9x s SER 1064CO 0.00 -0.61 1.77 0.58 0.98 0.00 0.00 173.24 175.96 1a9x h VAL 1065N 0.18 1.24 -0.61 5.02 2.07 -1.30 0.14 116.25 122.99 1a9x h VAL 1065Ca -0.47 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1a9x h VAL 1065Cb 1.20 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1a9x h VAL 1065CO 0.62 0.35 0.34 1.56 0.02 0.00 0.00 177.57 180.45 1a9x h GLN 1066N 0.68 0.84 -0.29 1.57 7.50 -1.92 0.17 115.11 123.66 1a9x h GLN 1066Ca 0.13 -0.10 -0.07 0.00 0.50 0.00 0.00 58.65 59.11 1a9x h GLN 1066Cb 0.45 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 1a9x h GLN 1066CO 0.02 0.64 -0.10 0.93 -1.50 0.00 0.00 178.83 178.82 1a9x h GLU 1067N 0.82 0.57 0.08 1.46 5.08 -1.88 0.57 114.58 121.29 1a9x h GLU 1067Ca 0.21 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1a9x h GLU 1067Cb 0.04 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1a9x h GLU 1067CO -0.04 0.79 -0.40 0.52 -1.00 0.00 0.00 179.01 178.88 1a9x h MET 1068N 0.33 -0.59 -0.05 2.33 2.86 -0.42 -1.09 114.93 118.29 1a9x h MET 1068Ca 0.07 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1a9x h MET 1068Cb 0.60 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 1a9x h MET 1068CO 0.03 -0.39 -0.03 0.45 1.06 0.00 0.00 176.91 178.03 1a9x h HIS 1069N -0.61 0.06 0.00 -0.22 3.86 -0.61 -1.67 115.15 115.96 1a9x h HIS 1069Ca 0.03 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 1a9x h HIS 1069Cb 0.66 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1a9x h HIS 1069CO -0.37 0.10 -0.44 0.00 0.86 0.00 0.00 177.93 178.09 1a9x h ALA 1070N 1.91 0.95 0.00 2.45 0.00 -0.04 -2.64 119.26 121.89 1a9x h ALA 1070Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1a9x h ALA 1070Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a9x h ALA 1070CO 0.00 0.54 0.00 1.04 0.00 0.00 0.00 179.25 180.84 1a9x n GLN 1071N -3.54 0.01 -2.66 0.00 6.02 -0.49 -4.71 117.38 112.01 1a9x n GLN 1071Ca -0.00 0.23 -0.43 0.00 -0.01 0.00 0.00 57.00 56.79 1a9x n GLN 1071Cb 0.55 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 30.27 1a9x n GLN 1071CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a9x s ILE 1072N -3.02 4.68 -2.29 5.09 1.01 -1.00 -4.76 121.20 120.91 1a9x s ILE 1072Ca 0.08 2.02 0.18 0.00 0.00 0.00 0.00 60.65 62.93 1a9x s ILE 1072Cb 0.11 -4.31 0.14 0.00 0.01 0.00 0.00 42.46 38.41 1a9x s ILE 1072CO 0.30 -0.19 1.08 0.29 0.00 0.00 0.00 174.94 176.42