#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahr s ILE 3 N 0.00 2.17 0.08 3.15 1.01 -0.13 -1.47 121.20 126.00 2ahr s ILE 3 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.74 2ahr s ILE 3 Cb 0.00 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2ahr s ILE 3 CO 0.00 0.56 -0.11 -0.83 0.00 0.00 0.00 174.94 174.56 2ahr s GLY 4 N 0.38 1.76 -0.16 6.18 0.00 -0.37 -2.56 107.32 112.55 2ahr s GLY 4 Ca -0.17 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.35 2ahr s GLY 4 CO 0.08 -1.15 -0.10 -0.42 0.00 0.00 0.00 173.10 171.51 2ahr s ILE 5 N -1.14 1.40 -0.28 0.90 1.01 0.11 -0.73 121.20 122.47 2ahr s ILE 5 Ca 0.20 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 2ahr s ILE 5 Cb -0.11 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 2ahr s ILE 5 CO 0.12 0.30 0.25 -0.63 0.00 0.00 0.00 174.94 174.97 2ahr s ILE 6 N 1.53 5.27 0.00 2.92 1.01 -0.81 -1.06 121.20 130.05 2ahr s ILE 6 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2ahr s ILE 6 Cb -0.14 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.75 2ahr s ILE 6 CO -0.09 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.68 2ahr n GLY 7 N 4.93 -2.89 2.73 6.18 0.00 0.02 -0.49 105.19 115.66 2ahr n GLY 7 Ca -0.12 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 2ahr n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ahr s VAL 8 N 0.00 1.71 0.00 1.61 1.01 -1.26 -3.74 120.40 119.73 2ahr s VAL 8 Ca 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 61.98 58.91 2ahr s VAL 8 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2ahr s VAL 8 CO 0.00 -0.97 0.00 0.61 0.00 0.00 0.00 175.10 174.74 2ahr n GLY 9 N 3.01 3.19 0.14 4.51 0.00 -1.26 -4.78 105.19 109.99 2ahr n GLY 9 Ca 0.14 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2ahr n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ahr n LYS 10 N 0.00 0.34 0.00 1.61 4.76 -1.26 -0.78 118.16 122.82 2ahr n LYS 10 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2ahr n LYS 10 Cb 0.00 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2ahr n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ahr n ALA 12 N -0.26 0.00 -0.36 7.82 0.00 -1.26 -2.04 120.51 124.41 2ahr n ALA 12 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2ahr n ALA 12 Cb 0.02 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.64 2ahr n ALA 12 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2ahr h SER 13 N 0.00 0.99 -0.15 0.00 0.02 -1.26 -1.57 113.55 111.57 2ahr h SER 13 Ca 0.00 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2ahr h SER 13 Cb 0.00 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2ahr h SER 13 CO 0.00 0.63 -0.11 0.00 -1.14 0.00 0.00 176.83 176.21 2ahr h ALA 14 N 1.45 1.26 -0.06 3.77 0.00 -1.64 -2.97 119.26 121.07 2ahr h ALA 14 Ca 0.42 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 2ahr h ALA 14 Cb 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ahr h ALA 14 CO -0.18 0.49 -0.81 0.82 0.00 0.00 0.00 179.25 179.56 2ahr h ILE 15 N 0.47 1.37 -0.09 0.00 2.04 -1.69 -3.26 117.51 116.34 2ahr h ILE 15 Ca 0.09 -2.23 -0.00 0.00 1.00 0.00 0.00 64.86 63.72 2ahr h ILE 15 Cb 0.47 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2ahr h ILE 15 CO 0.03 0.67 0.06 0.40 0.00 0.00 0.00 178.15 179.31 2ahr h ILE 16 N 0.29 1.03 -0.51 -0.67 2.04 -1.14 -1.12 117.51 117.42 2ahr h ILE 16 Ca -0.05 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.83 2ahr h ILE 16 Cb 1.42 0.89 -0.10 0.00 -0.74 0.00 0.00 36.82 38.29 2ahr h ILE 16 CO 0.14 0.03 -0.44 0.11 0.00 0.00 0.00 178.15 177.99 2ahr h LYS 17 N 0.13 -0.26 0.00 2.37 1.57 -1.58 -2.06 116.57 116.73 2ahr h LYS 17 Ca 0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2ahr h LYS 17 Cb -0.01 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2ahr h LYS 17 CO -0.01 -0.17 0.00 0.41 -0.57 0.00 0.00 179.45 179.11 2ahr n GLY 18 N -1.40 -1.38 0.11 3.86 0.00 -0.47 -2.80 105.19 103.11 2ahr n GLY 18 Ca 0.01 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2ahr n GLY 18 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ahr h LEU 19 N 0.00 0.00 -0.30 0.99 3.38 -0.94 -3.28 115.31 115.17 2ahr h LEU 19 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2ahr h LEU 19 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2ahr h LEU 19 CO 0.00 0.03 0.00 0.11 0.09 0.00 0.00 178.44 178.67 2ahr h LYS 20 N 0.00 0.00 -0.29 1.13 1.57 -1.23 -2.90 116.57 114.85 2ahr h LYS 20 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ahr h LYS 20 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2ahr h LYS 20 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 2ahr n GLN 21 N -2.52 2.04 -0.09 3.15 6.02 -1.23 -4.35 117.38 120.40 2ahr n GLN 21 Ca 0.04 -1.58 -0.10 0.00 -0.01 0.00 0.00 57.00 55.35 2ahr n GLN 21 Cb 0.40 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 30.12 2ahr n GLN 21 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2ahr n THR 22 N 0.80 1.12 0.00 5.09 -1.04 -1.09 -5.09 114.28 114.06 2ahr n THR 22 Ca 0.17 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 2ahr n THR 22 Cb 0.43 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 2ahr n THR 22 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2ahr n PRO 23 N -2.78 0.00 -0.01 -2.82 -0.02 -1.25 -4.96 135.00 123.15 2ahr n PRO 23 Ca -0.30 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 2ahr n PRO 23 Cb 0.97 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.45 2ahr n PRO 23 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ahr n HIS 24 N 0.00 -1.89 -3.64 6.00 8.25 -1.26 -5.18 115.22 117.50 2ahr n HIS 24 Ca 0.00 0.02 -0.07 0.00 -0.26 0.00 0.00 57.72 57.41 2ahr n HIS 24 Cb 0.00 0.23 -0.07 0.00 1.12 0.00 0.00 29.99 31.27 2ahr n HIS 24 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2ahr s GLU 25 N -0.02 0.52 -0.00 -0.41 2.12 -1.26 -4.95 118.70 114.69 2ahr s GLU 25 Ca 0.00 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.09 2ahr s GLU 25 Cb 0.00 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.55 2ahr s GLU 25 CO 0.00 -0.08 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.05 2ahr s LEU 26 N 0.78 3.11 -0.02 2.70 1.02 -1.26 -0.96 118.68 124.06 2ahr s LEU 26 Ca -0.03 -0.16 -0.05 0.00 0.02 0.00 0.00 54.13 53.91 2ahr s LEU 26 Cb -0.05 -1.78 0.00 0.00 0.02 0.00 0.00 46.19 44.39 2ahr s LEU 26 CO -0.10 0.29 0.11 -0.51 0.02 0.00 0.00 176.35 176.16 2ahr s ILE 27 N -0.97 0.05 0.09 -0.59 2.07 -1.06 -4.04 121.20 116.76 2ahr s ILE 27 Ca 0.16 -0.43 0.06 0.00 -1.41 0.00 0.00 60.65 59.03 2ahr s ILE 27 Cb -0.11 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 2ahr s ILE 27 CO 0.07 -0.24 -0.16 0.27 -1.91 0.00 0.00 174.94 172.97 2ahr s ILE 28 N -0.79 1.31 -0.22 2.00 -5.25 -0.93 -0.71 121.20 116.61 2ahr s ILE 28 Ca -0.09 -1.47 -0.03 0.00 -0.99 0.00 0.00 60.65 58.07 2ahr s ILE 28 Cb -0.05 -1.30 0.11 0.00 2.95 0.00 0.00 42.46 44.16 2ahr s ILE 28 CO 0.01 -0.23 0.26 -0.55 -1.79 0.00 0.00 174.94 172.63 2ahr s SER 29 N -1.96 1.27 0.00 4.36 0.15 -0.23 -2.23 113.70 115.06 2ahr s SER 29 Ca 0.03 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2ahr s SER 29 Cb -0.09 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2ahr s SER 29 CO 0.03 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2ahr n GLY 30 N 5.32 1.69 0.15 9.45 0.00 -1.26 -0.80 105.19 119.74 2ahr n GLY 30 Ca -0.05 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 2ahr n GLY 30 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ahr h SER 31 N 0.00 0.75 -1.88 1.61 0.87 -1.96 -3.44 113.55 109.50 2ahr h SER 31 Ca 0.00 -0.72 -0.62 0.00 -1.23 0.00 0.00 61.79 59.22 2ahr h SER 31 Cb 0.00 -0.24 -0.13 0.00 -0.44 0.00 0.00 62.40 61.59 2ahr h SER 31 CO 0.00 1.54 -0.65 -0.44 -0.53 0.00 0.00 176.83 176.75 2ahr s SER 32 N -7.37 3.74 0.16 6.23 0.01 -1.26 -4.98 113.70 110.23 2ahr s SER 32 Ca -0.08 -1.27 -0.12 0.00 1.31 0.00 0.00 55.95 55.79 2ahr s SER 32 Cb 0.06 -0.36 0.04 0.00 0.21 0.00 0.00 66.02 65.97 2ahr s SER 32 CO 0.92 -0.31 1.65 0.25 0.41 0.00 0.00 173.24 176.16 2ahr h LEU 33 N 1.94 0.84 -0.58 2.44 5.85 -1.95 -1.23 115.31 122.62 2ahr h LEU 33 Ca -0.43 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.02 2ahr h LEU 33 Cb 1.25 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2ahr h LEU 33 CO 0.74 0.87 0.30 -0.08 -0.34 0.00 0.00 178.44 179.93 2ahr h GLU 34 N 0.76 0.82 -0.17 1.25 4.81 -1.99 -2.34 114.58 117.72 2ahr h GLU 34 Ca 0.16 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 2ahr h GLU 34 Cb 0.38 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2ahr h GLU 34 CO 0.01 0.65 -0.41 0.00 -0.73 0.00 0.00 179.01 178.52 2ahr h ARG 35 N 0.78 0.38 -0.91 1.92 2.47 -1.94 -2.80 114.38 114.28 2ahr h ARG 35 Ca 0.20 -0.19 0.04 0.00 -1.26 0.00 0.00 59.98 58.77 2ahr h ARG 35 Cb 0.08 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.35 2ahr h ARG 35 CO -0.03 0.74 0.59 0.77 0.56 0.00 0.00 179.97 182.60 2ahr h SER 36 N 0.32 0.98 0.23 7.04 0.02 -0.90 -0.36 113.55 120.88 2ahr h SER 36 Ca 0.03 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2ahr h SER 36 Cb 0.87 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2ahr h SER 36 CO 0.07 0.66 -0.13 0.11 -1.14 0.00 0.00 176.83 176.41 2ahr h LYS 37 N 1.14 -0.32 -0.64 3.45 1.57 -1.28 0.71 116.57 121.20 2ahr h LYS 37 Ca 0.37 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.25 2ahr h LYS 37 Cb 0.03 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 2ahr h LYS 37 CO -0.13 -0.22 0.29 0.93 -0.57 0.00 0.00 179.45 179.76 2ahr h GLU 38 N -0.34 0.51 -0.08 3.15 5.08 -1.18 0.09 114.58 121.81 2ahr h GLU 38 Ca -0.03 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2ahr h GLU 38 Cb 0.27 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2ahr h GLU 38 CO 0.04 0.34 -0.08 0.82 -1.00 0.00 0.00 179.01 179.13 2ahr h ILE 39 N 0.52 1.37 -0.58 3.13 2.04 -1.02 -2.35 117.51 120.62 2ahr h ILE 39 Ca 0.31 -1.23 0.08 0.00 1.00 0.00 0.00 64.86 65.02 2ahr h ILE 39 Cb 0.31 2.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 2ahr h ILE 39 CO -0.25 0.34 0.24 0.00 0.00 0.00 0.00 178.15 178.48 2ahr h ALA 40 N 0.56 0.75 -0.37 1.87 0.00 -0.46 -1.16 119.26 120.44 2ahr h ALA 40 Ca 0.01 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2ahr h ALA 40 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2ahr h ALA 40 CO 0.02 -0.16 -0.33 1.05 0.00 0.00 0.00 179.25 179.83 2ahr h GLU 41 N 0.44 0.84 -0.27 0.00 4.11 -1.05 0.24 114.58 118.90 2ahr h GLU 41 Ca 0.28 -0.41 -0.09 0.00 0.07 0.00 0.00 59.36 59.22 2ahr h GLU 41 Cb 0.31 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2ahr h GLU 41 CO -0.26 1.05 -0.22 1.96 0.07 0.00 0.00 179.01 181.60 2ahr h GLN 42 N 0.71 0.50 -0.02 1.06 1.08 -0.91 -2.85 115.11 114.66 2ahr h GLN 42 Ca 0.07 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2ahr h GLN 42 Cb 0.89 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 2ahr h GLN 42 CO 0.08 0.69 -0.16 1.28 -0.95 0.00 0.00 178.83 179.77 2ahr n LEU 43 N -4.14 2.56 -3.40 1.46 4.77 -0.49 -5.00 117.00 112.76 2ahr n LEU 43 Ca -0.00 -0.88 -0.14 0.00 -0.03 0.00 0.00 56.01 54.96 2ahr n LEU 43 Cb 0.39 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2ahr n LEU 43 CO 0.42 0.44 0.08 0.00 -1.33 0.00 0.00 177.39 176.99 2ahr n ALA 44 N 0.80 -2.59 -3.17 -1.18 0.00 -0.47 -5.04 120.51 108.85 2ahr n ALA 44 Ca 0.13 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2ahr n ALA 44 Cb 0.54 -2.17 -0.09 0.00 0.00 0.00 0.00 19.45 17.73 2ahr n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ahr s LEU 45 N -4.88 1.05 0.52 0.00 1.43 -0.05 -5.04 118.68 111.72 2ahr s LEU 45 Ca 0.14 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 2ahr s LEU 45 Cb -0.04 1.11 -0.07 0.00 0.03 0.00 0.00 46.19 47.23 2ahr s LEU 45 CO 0.81 -0.45 1.12 -2.65 0.23 0.00 0.00 176.35 175.41 2ahr n PRO 46 N 1.23 1.34 -4.62 1.29 -0.02 -1.26 -4.54 135.00 128.42 2ahr n PRO 46 Ca -0.22 0.49 -0.28 0.00 -2.02 0.00 0.00 63.50 61.48 2ahr n PRO 46 Cb 0.56 -2.27 -0.11 0.00 -0.02 0.00 0.00 33.50 31.66 2ahr n PRO 46 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2ahr s TYR 47 N -1.36 2.47 0.00 6.00 -0.85 -1.26 -2.18 117.35 120.16 2ahr s TYR 47 Ca 0.70 -0.70 0.00 0.00 -0.52 0.00 0.00 57.07 56.55 2ahr s TYR 47 Cb -0.46 -1.75 0.00 0.00 0.38 0.00 0.00 41.96 40.13 2ahr s TYR 47 CO 0.51 0.42 0.00 0.00 -1.52 0.00 0.00 175.55 174.96 2ahr n ALA 48 N -0.97 0.00 -0.58 9.51 0.00 -0.95 -4.83 120.51 122.69 2ahr n ALA 48 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 2ahr n ALA 48 Cb 0.67 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.30 2ahr n ALA 48 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ahr n SER 50 N 0.00 -2.74 -0.05 0.00 3.41 -1.26 -4.91 113.62 108.07 2ahr n SER 50 Ca 0.00 -0.29 -0.12 0.00 -0.26 0.00 0.00 58.87 58.20 2ahr n SER 50 Cb 0.00 -0.89 -0.06 0.00 -0.26 0.00 0.00 64.21 63.00 2ahr n SER 50 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2ahr h HIS 51 N -2.43 0.35 -0.94 7.33 3.86 -1.95 -1.27 115.15 120.11 2ahr h HIS 51 Ca -0.43 -0.08 0.04 0.00 -1.16 0.00 0.00 60.37 58.74 2ahr h HIS 51 Cb 1.15 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 29.49 2ahr h HIS 51 CO -1.27 0.60 0.61 0.37 0.86 0.00 0.00 177.93 179.10 2ahr h GLN 52 N -0.00 1.13 0.14 2.45 5.75 -1.96 -0.30 115.11 122.32 2ahr h GLN 52 Ca 0.04 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2ahr h GLN 52 Cb 0.50 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2ahr h GLN 52 CO 0.02 0.75 -0.14 0.22 -2.65 0.00 0.00 178.83 177.03 2ahr h ASP 53 N 1.17 -0.37 -0.66 -0.69 -0.00 -1.98 -2.99 116.42 110.90 2ahr h ASP 53 Ca 0.37 0.04 0.14 0.00 -0.00 0.00 0.00 57.03 57.58 2ahr h ASP 53 Cb 0.03 0.13 -0.12 0.00 -0.00 0.00 0.00 39.33 39.37 2ahr h ASP 53 CO -0.12 -0.21 -0.02 0.25 -0.00 0.00 0.00 179.24 179.14 2ahr h LEU 54 N -0.31 -0.35 -0.70 2.28 7.12 0.08 -2.70 115.31 120.73 2ahr h LEU 54 Ca 0.00 0.17 -0.05 0.00 0.13 0.00 0.00 57.88 58.14 2ahr h LEU 54 Cb 0.29 0.31 -0.03 0.00 -0.53 0.00 0.00 40.66 40.70 2ahr h LEU 54 CO -0.04 -0.15 0.25 0.40 -0.13 0.00 0.00 178.44 178.77 2ahr h ILE 55 N 0.09 1.25 0.09 4.05 2.04 -1.03 -3.26 117.51 120.75 2ahr h ILE 55 Ca 0.35 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.38 2ahr h ILE 55 Cb 0.57 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2ahr h ILE 55 CO -0.59 0.33 -0.12 0.44 0.00 0.00 0.00 178.15 178.20 2ahr h ASP 56 N 1.02 -0.34 -0.29 1.72 3.32 -1.33 -2.92 116.42 117.60 2ahr h ASP 56 Ca 0.23 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2ahr h ASP 56 Cb 0.26 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2ahr h ASP 56 CO -0.01 -0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.32 2ahr n GLN 57 N -5.25 2.27 -4.56 3.56 10.64 -1.24 -4.91 117.38 117.89 2ahr n GLN 57 Ca -0.07 -1.29 -0.23 0.00 -1.83 0.00 0.00 57.00 53.58 2ahr n GLN 57 Cb 0.17 -1.56 -0.14 0.00 -0.86 0.00 0.00 30.24 27.85 2ahr n GLN 57 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2ahr s VAL 58 N -1.68 1.30 -0.01 -0.39 0.11 -1.11 -4.97 120.40 113.66 2ahr s VAL 58 Ca 0.23 -0.94 0.12 0.00 -2.93 0.00 0.00 61.98 58.46 2ahr s VAL 58 Cb 0.15 -1.13 -0.22 0.00 -1.53 0.00 0.00 36.38 33.64 2ahr s VAL 58 CO 0.11 0.18 0.80 0.44 -3.33 0.00 0.00 175.10 173.29 2ahr h ASP 59 N 5.20 0.00 -3.48 3.54 3.32 -1.56 -3.47 116.42 119.97 2ahr h ASP 59 Ca -0.38 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.45 2ahr h ASP 59 Cb 1.17 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.42 2ahr h ASP 59 CO 0.45 0.99 -0.54 -0.22 -1.72 0.00 0.00 179.24 178.20 2ahr s LEU 60 N -6.21 0.76 -0.06 1.55 0.20 -1.04 -4.08 118.68 109.79 2ahr s LEU 60 Ca -0.03 0.38 -0.02 0.00 0.69 0.00 0.00 54.13 55.15 2ahr s LEU 60 Cb 0.08 0.53 -0.04 0.00 -0.43 0.00 0.00 46.19 46.34 2ahr s LEU 60 CO 0.82 -0.13 0.05 -0.69 -0.29 0.00 0.00 176.35 176.11 2ahr s VAL 61 N 0.97 4.64 -0.13 1.68 1.01 -0.25 -1.24 120.40 127.08 2ahr s VAL 61 Ca -0.07 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2ahr s VAL 61 Cb -0.09 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2ahr s VAL 61 CO -0.05 0.51 -0.21 -0.63 0.00 0.00 0.00 175.10 174.72 2ahr s ILE 62 N -1.02 1.94 -0.19 2.22 1.01 0.09 0.05 121.20 125.30 2ahr s ILE 62 Ca 0.17 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 2ahr s ILE 62 Cb -0.12 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2ahr s ILE 62 CO 0.07 0.53 0.25 -0.76 0.00 0.00 0.00 174.94 175.03 2ahr s LEU 63 N 0.83 4.20 -0.03 2.97 1.43 0.06 -1.93 118.68 126.22 2ahr s LEU 63 Ca -0.07 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.46 2ahr s LEU 63 Cb -0.15 -2.30 0.07 0.00 0.03 0.00 0.00 46.19 43.84 2ahr s LEU 63 CO -0.01 0.08 0.93 0.61 0.23 0.00 0.00 176.35 178.18 2ahr n GLY 64 N 3.64 1.76 3.85 -3.19 0.00 0.35 -4.59 105.19 107.02 2ahr n GLY 64 Ca -0.13 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 2ahr n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ahr s ILE 65 N -1.10 4.49 0.57 -0.61 -4.36 -1.19 -4.51 121.20 114.49 2ahr s ILE 65 Ca 0.08 0.87 -0.20 0.00 -0.26 0.00 0.00 60.65 61.15 2ahr s ILE 65 Cb 0.07 -3.72 -0.05 0.00 1.25 0.00 0.00 42.46 40.01 2ahr s ILE 65 CO 0.01 -0.99 1.05 0.29 0.24 0.00 0.00 174.94 175.53 2ahr n LYS 66 N -2.65 1.09 -0.03 0.37 5.02 -1.26 -4.81 118.16 115.89 2ahr n LYS 66 Ca 0.07 0.41 0.07 0.00 -2.02 0.00 0.00 58.31 56.84 2ahr n LYS 66 Cb 0.54 -2.23 0.45 0.00 -0.02 0.00 0.00 35.03 33.77 2ahr n LYS 66 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2ahr h PRO 67 N 0.78 0.50 0.00 1.97 0.13 -1.97 -3.02 132.00 130.39 2ahr h PRO 67 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2ahr h PRO 67 Cb 1.35 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ahr h PRO 67 CO 0.53 0.33 0.00 1.96 -0.23 0.00 0.00 178.00 180.58 2ahr h GLN 68 N 0.51 0.00 -0.22 0.86 7.50 -1.95 -2.41 115.11 119.40 2ahr h GLN 68 Ca 0.20 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 59.17 2ahr h GLN 68 Cb 0.16 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 27.50 2ahr h GLN 68 CO -0.05 0.00 -0.70 1.47 -1.50 0.00 0.00 178.83 178.05 2ahr n LEU 69 N -2.43 3.00 -0.18 1.46 -0.00 -1.14 -4.61 117.00 113.09 2ahr n LEU 69 Ca 0.01 -3.82 -0.07 0.00 -0.00 0.00 0.00 56.01 52.12 2ahr n LEU 69 Cb 0.17 -0.35 0.02 0.00 -0.00 0.00 0.00 43.42 43.27 2ahr n LEU 69 CO 0.18 1.45 1.03 -0.26 -0.00 0.00 0.00 177.39 179.79 2ahr h PHE 70 N 1.41 0.73 0.00 1.47 -1.00 -1.50 -2.30 116.94 115.76 2ahr h PHE 70 Ca 0.06 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.82 2ahr h PHE 70 Cb 1.28 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.61 2ahr h PHE 70 CO 0.69 0.54 0.00 0.39 -1.61 0.00 0.00 178.31 178.32 2ahr n GLU 71 N -4.63 0.00 -0.30 1.51 4.71 -1.26 -1.38 120.64 119.29 2ahr n GLU 71 Ca 0.03 0.63 0.08 0.00 -0.01 0.00 0.00 57.16 57.89 2ahr n GLU 71 Cb 0.09 -1.46 0.24 0.00 -1.01 0.00 0.00 31.44 29.29 2ahr n GLU 71 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 2ahr h THR 72 N 0.00 0.71 -0.01 2.62 2.02 -1.85 -3.07 112.91 113.33 2ahr h THR 72 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2ahr h THR 72 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2ahr h THR 72 CO 0.00 0.11 -0.53 1.33 0.37 0.00 0.00 175.52 176.80 2ahr n VAL 73 N -4.87 0.00 -0.10 3.16 0.24 -0.86 -4.55 118.33 111.34 2ahr n VAL 73 Ca 0.18 -0.23 -0.16 0.00 -2.04 0.00 0.00 64.34 62.09 2ahr n VAL 73 Cb 0.46 1.10 -0.13 0.00 -1.47 0.00 0.00 33.84 33.80 2ahr n VAL 73 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2ahr n LEU 74 N -0.74 2.05 0.15 1.34 4.77 -0.48 -4.66 117.00 119.43 2ahr n LEU 74 Ca 0.05 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 2ahr n LEU 74 Cb 0.29 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 2ahr n LEU 74 CO 0.26 0.78 0.74 0.11 -1.33 0.00 0.00 177.39 177.95 2ahr h LYS 75 N 0.01 -0.40 -2.13 3.23 1.79 -1.69 -2.81 116.57 114.57 2ahr h LYS 75 Ca -0.53 0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 57.89 2ahr h LYS 75 Cb 2.01 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 32.73 2ahr h LYS 75 CO -0.02 -0.27 -0.08 -0.35 -1.08 0.00 0.00 179.45 177.65 2ahr n PRO 76 N -5.32 1.11 -3.97 3.15 -0.04 -1.26 -4.77 135.00 123.91 2ahr n PRO 76 Ca -0.08 -0.37 -0.08 0.00 -0.04 0.00 0.00 63.50 62.93 2ahr n PRO 76 Cb 0.23 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.10 2ahr n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ahr s LEU 77 N 0.00 1.98 -0.29 1.53 1.43 -1.06 -5.04 118.68 117.22 2ahr s LEU 77 Ca 0.25 -0.76 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2ahr s LEU 77 Cb 0.12 0.56 0.07 0.00 0.03 0.00 0.00 46.19 46.97 2ahr s LEU 77 CO 0.00 -0.61 -0.05 -1.00 0.23 0.00 0.00 176.35 174.92 2ahr s HIS 78 N -3.52 3.45 0.23 0.29 3.76 -1.26 -5.02 115.29 113.22 2ahr s HIS 78 Ca 0.03 -2.55 -0.10 0.00 -0.15 0.00 0.00 55.06 52.28 2ahr s HIS 78 Cb 0.04 -2.30 -0.07 0.00 1.11 0.00 0.00 32.58 31.36 2ahr s HIS 78 CO -0.09 -0.90 0.57 -0.06 -0.85 0.00 0.00 174.74 173.41 2ahr s PHE 79 N 1.04 3.43 -0.00 1.40 0.40 -1.26 -4.92 117.98 118.06 2ahr s PHE 79 Ca -0.02 0.91 0.00 0.00 -0.60 0.00 0.00 56.93 57.23 2ahr s PHE 79 Cb -0.20 -2.29 0.00 0.00 0.51 0.00 0.00 43.02 41.05 2ahr s PHE 79 CO -0.06 0.26 0.59 1.63 0.70 0.00 0.00 175.22 178.34 2ahr n LYS 80 N -0.12 0.39 -3.76 0.44 5.02 -1.26 -5.05 118.16 113.81 2ahr n LYS 80 Ca 0.01 -0.66 -0.06 0.00 -2.02 0.00 0.00 58.31 55.58 2ahr n LYS 80 Cb 0.52 -0.57 -0.02 0.00 -0.02 0.00 0.00 35.03 34.95 2ahr n LYS 80 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2ahr s GLN 81 N -0.14 1.43 0.33 1.97 0.00 -1.26 -5.10 119.66 116.88 2ahr s GLN 81 Ca 0.00 -0.77 -0.29 0.00 -0.00 0.00 0.00 55.36 54.31 2ahr s GLN 81 Cb 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 33.01 33.39 2ahr s GLN 81 CO 0.00 -0.65 1.33 -2.30 0.00 0.00 0.00 175.29 173.67 2ahr n PRO 82 N -0.45 2.18 -5.13 9.60 -0.02 -1.26 -4.79 135.00 135.14 2ahr n PRO 82 Ca -0.06 0.77 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 2ahr n PRO 82 Cb 0.60 -2.38 -0.17 0.00 -0.02 0.00 0.00 33.50 31.54 2ahr n PRO 82 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ahr s ILE 83 N -0.90 1.91 -0.23 4.25 1.01 -1.21 -1.10 121.20 124.93 2ahr s ILE 83 Ca 0.57 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 2ahr s ILE 83 Cb -0.57 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 2ahr s ILE 83 CO 0.60 0.53 0.12 -0.63 0.00 0.00 0.00 174.94 175.55 2ahr s ILE 84 N 0.29 4.95 0.16 2.92 1.01 0.11 -1.08 121.20 129.56 2ahr s ILE 84 Ca -0.15 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.56 2ahr s ILE 84 Cb -0.17 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.02 2ahr s ILE 84 CO 0.07 0.36 0.18 -0.24 0.00 0.00 0.00 174.94 175.31 2ahr n SER 85 N 4.34 0.96 0.00 3.58 2.88 -0.34 -0.76 113.62 124.28 2ahr n SER 85 Ca -0.16 -1.48 0.00 0.00 -1.33 0.00 0.00 58.87 55.91 2ahr n SER 85 Cb 0.52 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2ahr n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ahr n ALA 87 N -2.76 -0.93 -2.13 -1.46 0.00 -1.26 -1.26 120.51 110.71 2ahr n ALA 87 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 2ahr n ALA 87 Cb 0.17 -0.38 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 2ahr n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ahr s ALA 88 N -2.25 3.35 0.00 0.00 0.00 -1.26 -4.24 121.76 117.36 2ahr s ALA 88 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2ahr s ALA 88 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2ahr s ALA 88 CO 0.00 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.98 2ahr n GLY 89 N 2.18 1.09 3.47 0.00 0.00 -1.26 -4.80 105.19 105.88 2ahr n GLY 89 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2ahr n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ahr s ILE 90 N -3.91 4.72 0.78 -0.61 1.01 -1.26 -4.71 121.20 117.22 2ahr s ILE 90 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 2ahr s ILE 90 Cb 0.00 -3.34 0.06 0.00 0.01 0.00 0.00 42.46 39.19 2ahr s ILE 90 CO 0.00 0.15 1.09 -0.94 0.00 0.00 0.00 174.94 175.24 2ahr s SER 91 N 1.65 4.63 0.11 3.58 1.04 -1.26 -4.86 113.70 118.59 2ahr s SER 91 Ca 0.06 1.45 -0.17 0.00 0.48 0.00 0.00 55.95 57.76 2ahr s SER 91 Cb -0.16 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 2ahr s SER 91 CO 0.07 -1.90 1.62 -0.07 0.98 0.00 0.00 173.24 173.94 2ahr h LEU 92 N -1.04 0.48 -0.72 2.42 3.38 -1.98 0.32 115.31 118.18 2ahr h LEU 92 Ca -0.46 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 57.40 2ahr h LEU 92 Cb 1.25 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2ahr h LEU 92 CO 0.58 0.57 0.33 -0.61 0.09 0.00 0.00 178.44 179.40 2ahr h GLN 93 N 0.37 0.53 -0.02 1.13 4.15 -2.00 -0.13 115.11 119.14 2ahr h GLN 93 Ca 0.10 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.35 2ahr h GLN 93 Cb 0.27 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2ahr h GLN 93 CO -0.00 0.35 -0.67 -0.09 -1.93 0.00 0.00 178.83 176.49 2ahr h ARG 94 N 0.55 0.08 -0.10 1.69 2.43 -1.87 -3.01 114.38 114.13 2ahr h ARG 94 Ca 0.37 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.34 2ahr h ARG 94 Cb 0.45 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2ahr h ARG 94 CO -0.31 0.72 -0.55 1.25 -1.51 0.00 0.00 179.97 179.56 2ahr h LEU 95 N 0.05 0.34 -0.82 3.80 5.85 -0.00 -3.11 115.31 121.43 2ahr h LEU 95 Ca -0.01 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 2ahr h LEU 95 Cb 1.19 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 2ahr h LEU 95 CO 0.09 0.82 0.12 0.00 -0.34 0.00 0.00 178.44 179.14 2ahr h ALA 96 N 1.18 1.03 0.00 1.25 0.00 -0.93 -0.82 119.26 120.97 2ahr h ALA 96 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ahr h ALA 96 Cb 1.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2ahr h ALA 96 CO 0.09 0.63 0.00 0.25 0.00 0.00 0.00 179.25 180.22 2ahr n THR 97 N -4.23 0.00 -0.06 0.00 -2.24 -1.16 -0.00 114.28 106.58 2ahr n THR 97 Ca 0.04 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.76 2ahr n THR 97 Cb 0.27 -0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.61 2ahr n THR 97 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2ahr n PHE 98 N -0.96 0.00 -0.14 4.78 3.72 -0.37 -4.82 117.46 119.66 2ahr n PHE 98 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2ahr n PHE 98 Cb 0.03 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 2ahr n PHE 98 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2ahr n VAL 99 N -2.51 0.00 0.00 -4.37 0.24 -0.83 -4.24 118.33 106.62 2ahr n VAL 99 Ca -0.20 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 2ahr n VAL 99 Cb 0.86 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.37 2ahr n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ahr n GLY 100 N 0.36 3.17 1.11 7.63 0.00 1.00 -4.64 105.19 113.82 2ahr n GLY 100 Ca 0.00 -1.95 0.10 0.00 0.00 0.00 0.00 46.02 44.17 2ahr n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ahr n GLN 101 N -0.73 2.40 -0.01 1.61 -0.06 -1.26 -4.25 117.38 115.08 2ahr n GLN 101 Ca 0.00 -2.17 0.02 0.00 -2.00 0.00 0.00 57.00 52.86 2ahr n GLN 101 Cb 0.00 -1.47 0.02 0.00 -4.06 0.00 0.00 30.24 24.73 2ahr n GLN 101 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2ahr n ASP 102 N 1.27 1.54 -4.84 1.69 5.75 -1.26 -5.02 116.55 115.68 2ahr n ASP 102 Ca 0.20 -1.33 -0.37 0.00 -0.01 0.00 0.00 54.79 53.29 2ahr n ASP 102 Cb 0.52 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.52 2ahr n ASP 102 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2ahr s LEU 103 N -0.47 4.35 -0.31 -2.12 1.43 -1.26 -5.05 118.68 115.24 2ahr s LEU 103 Ca 0.06 0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 2ahr s LEU 103 Cb 0.04 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 2ahr s LEU 103 CO 0.05 0.34 1.47 -2.84 0.23 0.00 0.00 176.35 175.60 2ahr s PRO 104 N -0.65 3.73 -0.08 1.29 0.02 -1.26 -4.86 135.00 133.19 2ahr s PRO 104 Ca 0.14 1.28 0.03 0.00 0.02 0.00 0.00 61.00 62.48 2ahr s PRO 104 Cb -0.12 -3.99 -0.02 0.00 0.02 0.00 0.00 34.50 30.39 2ahr s PRO 104 CO 0.03 -1.37 -0.17 -0.51 -0.33 0.00 0.00 177.00 174.65 2ahr s LEU 105 N 5.14 2.53 0.05 -5.54 1.43 -1.26 -3.32 118.68 117.71 2ahr s LEU 105 Ca 0.64 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 53.50 2ahr s LEU 105 Cb -0.19 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2ahr s LEU 105 CO 0.29 0.26 -0.25 -0.76 0.23 0.00 0.00 176.35 176.12 2ahr s LEU 106 N -0.23 2.28 -0.03 1.79 1.43 -0.24 -0.69 118.68 122.99 2ahr s LEU 106 Ca 0.00 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 2ahr s LEU 106 Cb -0.13 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 2ahr s LEU 106 CO 0.03 0.25 -0.16 -0.13 0.23 0.00 0.00 176.35 176.57 2ahr s ARG 107 N -1.37 2.37 0.00 1.70 0.52 0.48 -1.20 118.95 121.44 2ahr s ARG 107 Ca 0.13 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 2ahr s ARG 107 Cb -0.10 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.07 2ahr s ARG 107 CO 0.03 0.60 0.00 0.44 0.02 0.00 0.00 175.30 176.39 2ahr n ILE 108 N 2.16 0.00 0.00 1.52 -5.35 -0.39 -0.97 119.36 116.33 2ahr n ILE 108 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2ahr n ILE 108 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 2ahr n ILE 108 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2ahr n PRO 110 N 0.00 -2.95 0.00 6.28 -0.04 -1.26 -4.45 135.00 132.58 2ahr n PRO 110 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2ahr n PRO 110 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2ahr n PRO 110 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ahr n ASN 111 N 0.00 0.00 0.00 3.54 0.23 -1.26 -4.44 115.26 113.33 2ahr n ASN 111 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2ahr n ASN 111 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2ahr n ASN 111 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2ahr n ASN 113 N 0.00 0.00 -0.15 0.53 5.03 -1.26 -4.63 115.26 114.78 2ahr n ASN 113 Ca 0.00 0.00 0.27 0.00 0.87 0.00 0.00 54.58 55.72 2ahr n ASN 113 Cb 0.00 -0.63 0.71 0.00 -1.02 0.00 0.00 39.78 38.85 2ahr n ASN 113 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ahr h ALA 114 N 0.00 2.77 -0.83 5.41 0.00 -1.84 -1.01 119.26 123.76 2ahr h ALA 114 Ca 0.00 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.08 2ahr h ALA 114 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2ahr h ALA 114 CO 0.00 -1.00 0.56 1.96 0.00 0.00 0.00 179.25 180.77 2ahr h GLN 115 N 0.01 0.28 -0.16 0.00 4.20 -1.82 -0.42 115.11 117.19 2ahr h GLN 115 Ca 0.39 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.08 2ahr h GLN 115 Cb 1.56 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 2ahr h GLN 115 CO -0.01 0.18 -0.01 0.44 -0.67 0.00 0.00 178.83 178.76 2ahr n ILE 116 N -4.44 2.15 -3.74 2.54 -5.35 -0.50 -4.97 119.36 105.06 2ahr n ILE 116 Ca 0.17 -2.10 -0.23 0.00 -0.27 0.00 0.00 62.75 60.32 2ahr n ILE 116 Cb 0.70 -0.25 0.03 0.00 -1.74 0.00 0.00 39.64 38.38 2ahr n ILE 116 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2ahr n LEU 117 N -0.91 -3.01 -1.74 7.28 4.77 -0.17 -4.92 117.00 118.30 2ahr n LEU 117 Ca 0.20 -0.80 0.03 0.00 -0.03 0.00 0.00 56.01 55.41 2ahr n LEU 117 Cb 0.80 -2.66 0.03 0.00 -2.33 0.00 0.00 43.42 39.26 2ahr n LEU 117 CO 0.10 0.43 0.05 0.00 -1.33 0.00 0.00 177.39 176.63 2ahr n GLN 118 N -4.38 0.32 -1.47 3.23 6.02 -0.54 -3.46 117.38 117.09 2ahr n GLN 118 Ca -0.22 -2.28 -0.35 0.00 -0.01 0.00 0.00 57.00 54.14 2ahr n GLN 118 Cb 0.64 -0.30 0.09 0.00 1.02 0.00 0.00 30.24 31.70 2ahr n GLN 118 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ahr s SER 119 N -2.33 4.18 -0.52 1.08 0.15 -0.45 -4.70 113.70 111.12 2ahr s SER 119 Ca 0.33 2.47 -0.07 0.00 0.70 0.00 0.00 55.95 59.37 2ahr s SER 119 Cb 0.38 -2.60 0.13 0.00 -1.71 0.00 0.00 66.02 62.22 2ahr s SER 119 CO -0.15 -2.28 0.37 -0.44 1.20 0.00 0.00 173.24 171.95 2ahr s SER 120 N -1.81 5.61 -0.18 5.45 0.01 -1.26 -1.03 113.70 120.48 2ahr s SER 120 Ca 0.77 -2.18 -0.05 0.00 1.31 0.00 0.00 55.95 55.80 2ahr s SER 120 Cb -0.32 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 2ahr s SER 120 CO 0.44 -0.59 -0.01 -0.89 0.41 0.00 0.00 173.24 172.60 2ahr s THR 121 N 0.94 3.97 0.19 1.44 2.01 -1.01 -4.45 115.64 118.73 2ahr s THR 121 Ca 0.09 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 2ahr s THR 121 Cb -0.23 -2.77 -0.08 0.00 0.01 0.00 0.00 72.50 69.43 2ahr s THR 121 CO -0.03 0.46 0.64 0.00 -0.69 0.00 0.00 174.62 175.00 2ahr s ALA 122 N 0.70 3.49 -0.04 7.40 0.00 -1.26 0.71 121.76 132.75 2ahr s ALA 122 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.99 2ahr s ALA 122 Cb -0.14 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.32 2ahr s ALA 122 CO 0.02 0.39 -0.06 -1.17 0.00 0.00 0.00 175.76 174.94 2ahr s LEU 123 N -2.00 1.42 0.08 0.00 2.96 0.44 -4.10 118.68 117.47 2ahr s LEU 123 Ca 0.41 -0.15 -0.17 0.00 -0.22 0.00 0.00 54.13 54.00 2ahr s LEU 123 Cb -0.16 -0.50 0.03 0.00 0.50 0.00 0.00 46.19 46.07 2ahr s LEU 123 CO 0.20 -0.03 0.40 0.28 -1.32 0.00 0.00 176.35 175.88 2ahr s THR 124 N 0.80 0.06 0.06 3.68 -1.32 -0.15 -3.31 115.64 115.47 2ahr s THR 124 Ca -0.12 -0.52 -0.04 0.00 -1.21 0.00 0.00 61.69 59.81 2ahr s THR 124 Cb -0.14 -1.04 -0.02 0.00 -1.51 0.00 0.00 72.50 69.78 2ahr s THR 124 CO 0.01 -0.29 0.06 -0.83 -2.21 0.00 0.00 174.62 171.36 2ahr s GLY 125 N -2.34 0.30 1.19 6.08 0.00 -1.26 0.18 107.32 111.48 2ahr s GLY 125 Ca -0.02 -0.92 -0.16 0.00 0.00 0.00 0.00 44.72 43.62 2ahr s GLY 125 CO -0.06 -1.06 1.05 0.54 0.00 0.00 0.00 173.10 173.57 2ahr s ASN 126 N -2.76 0.93 0.40 1.64 2.20 0.14 -4.89 114.94 112.60 2ahr s ASN 126 Ca 0.04 1.04 0.27 0.00 -0.94 0.00 0.00 52.86 53.28 2ahr s ASN 126 Cb 0.05 -1.57 1.45 0.00 -2.00 0.00 0.00 41.25 39.18 2ahr s ASN 126 CO -0.09 -4.16 1.84 0.00 -2.94 0.00 0.00 177.10 171.74 2ahr h ALA 127 N -2.60 1.00 -0.00 3.54 0.00 -1.97 -2.16 119.26 117.07 2ahr h ALA 127 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2ahr h ALA 127 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2ahr h ALA 127 CO 0.44 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 180.93 2ahr n LEU 128 N -2.47 0.09 -4.68 0.00 4.77 -1.26 -4.85 117.00 108.60 2ahr n LEU 128 Ca -0.01 0.32 -0.42 0.00 -0.03 0.00 0.00 56.01 55.87 2ahr n LEU 128 Cb 0.07 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 2ahr n LEU 128 CO 0.13 0.02 0.64 -0.69 -1.33 0.00 0.00 177.39 176.16 2ahr s VAL 129 N -2.75 4.87 0.78 4.08 1.01 -0.82 -4.54 120.40 123.03 2ahr s VAL 129 Ca 0.22 1.73 -0.11 0.00 0.00 0.00 0.00 61.98 63.83 2ahr s VAL 129 Cb 0.20 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.45 2ahr s VAL 129 CO 0.50 0.04 1.08 -0.94 0.00 0.00 0.00 175.10 175.79 2ahr s SER 130 N 1.10 4.57 0.52 3.32 1.04 -1.26 -4.88 113.70 118.11 2ahr s SER 130 Ca 0.41 1.64 0.30 0.00 0.48 0.00 0.00 55.95 58.78 2ahr s SER 130 Cb -0.17 -2.39 1.35 0.00 0.10 0.00 0.00 66.02 64.91 2ahr s SER 130 CO 0.15 -1.97 2.00 1.56 0.98 0.00 0.00 173.24 175.96 2ahr h GLN 131 N -1.08 0.00 -0.01 4.02 1.08 -1.99 -2.22 115.11 114.91 2ahr h GLN 131 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2ahr h GLN 131 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2ahr h GLN 131 CO 0.54 0.10 -0.30 -0.85 -0.95 0.00 0.00 178.83 177.38 2ahr n GLU 132 N -3.33 1.72 0.13 1.46 0.00 -1.26 -3.11 120.64 116.24 2ahr n GLU 132 Ca -0.01 -0.80 -0.24 0.00 0.00 0.00 0.00 57.16 56.11 2ahr n GLU 132 Cb 0.30 -1.24 -0.15 0.00 0.00 0.00 0.00 31.44 30.35 2ahr n GLU 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2ahr h LEU 133 N 1.73 0.83 -0.85 -1.84 5.85 -1.89 -2.22 115.31 116.92 2ahr h LEU 133 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 2ahr h LEU 133 Cb 0.52 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2ahr h LEU 133 CO 0.00 1.67 0.00 -0.61 -0.34 0.00 0.00 178.44 179.16 2ahr h GLN 134 N 0.12 0.00 0.00 1.25 4.15 -1.55 0.13 115.11 119.21 2ahr h GLN 134 Ca -0.24 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 58.94 2ahr h GLN 134 Cb 2.08 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.73 2ahr h GLN 134 CO 0.26 0.00 -1.35 0.00 -1.93 0.00 0.00 178.83 175.81 2ahr h ALA 135 N 2.16 0.58 0.12 3.38 0.00 -1.61 -2.92 119.26 120.96 2ahr h ALA 135 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 54.91 53.43 2ahr h ALA 135 Cb 0.55 0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.54 2ahr h ALA 135 CO 0.00 1.40 -1.25 -0.09 0.00 0.00 0.00 179.25 179.31 2ahr h ARG 136 N 0.00 0.63 -0.51 0.00 2.43 -0.87 -2.56 114.38 113.50 2ahr h ARG 136 Ca -0.15 -0.84 -0.11 0.00 -0.81 0.00 0.00 59.98 58.07 2ahr h ARG 136 Cb 1.88 0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 31.69 2ahr h ARG 136 CO 0.10 1.38 -0.12 0.28 -1.51 0.00 0.00 179.97 180.11 2ahr h VAL 137 N 0.27 1.27 -0.68 0.20 2.07 -0.92 -2.12 116.25 116.34 2ahr h VAL 137 Ca -0.19 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.11 2ahr h VAL 137 Cb 1.92 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 2ahr h VAL 137 CO 0.24 0.44 0.42 -0.09 0.02 0.00 0.00 177.57 178.60 2ahr h ARG 138 N 0.85 0.79 -0.88 1.57 2.43 -1.54 0.23 114.38 117.82 2ahr h ARG 138 Ca 0.13 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2ahr h ARG 138 Cb 0.66 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 2ahr h ARG 138 CO 0.05 0.52 0.58 -0.44 -1.51 0.00 0.00 179.97 179.17 2ahr h ASP 139 N 0.81 0.98 -0.22 -3.80 3.32 -1.33 0.28 116.42 116.46 2ahr h ASP 139 Ca 0.28 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2ahr h ASP 139 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2ahr h ASP 139 CO -0.12 0.69 0.09 0.25 -1.72 0.00 0.00 179.24 178.43 2ahr h LEU 140 N 1.14 0.30 -0.81 1.55 5.85 -0.49 -2.96 115.31 119.91 2ahr h LEU 140 Ca 0.34 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 2ahr h LEU 140 Cb -0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2ahr h LEU 140 CO -0.09 0.38 -0.43 0.71 -0.34 0.00 0.00 178.44 178.67 2ahr h THR 141 N 0.21 1.32 0.00 1.05 1.35 -0.25 -2.80 112.91 113.78 2ahr h THR 141 Ca 0.07 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 2ahr h THR 141 Cb 0.17 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2ahr h THR 141 CO -0.01 0.48 0.00 0.47 -0.25 0.00 0.00 175.52 176.22 2ahr n ASP 142 N -4.01 0.40 0.08 5.36 8.00 0.96 -2.76 116.55 124.59 2ahr n ASP 142 Ca -0.02 0.63 -0.20 0.00 0.71 0.00 0.00 54.79 55.91 2ahr n ASP 142 Cb 0.51 -0.70 -0.11 0.00 -0.02 0.00 0.00 41.12 40.79 2ahr n ASP 142 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2ahr h SER 143 N 0.00 0.78 -0.48 -2.24 4.64 -1.32 -3.29 113.55 111.64 2ahr h SER 143 Ca 0.00 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2ahr h SER 143 Cb 0.21 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2ahr h SER 143 CO 0.00 1.51 0.00 2.22 -0.87 0.00 0.00 176.83 179.69 2ahr n PHE 144 N -3.76 1.66 -2.95 4.77 1.16 -1.11 -4.86 117.46 112.37 2ahr n PHE 144 Ca -0.12 -0.77 0.00 0.00 -1.87 0.00 0.00 57.45 54.70 2ahr n PHE 144 Cb 0.96 -0.43 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 2ahr n PHE 144 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2ahr n GLY 145 N 0.29 -0.50 3.96 4.97 0.00 -1.13 -1.33 105.19 111.45 2ahr n GLY 145 Ca 0.25 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 2ahr n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ahr s SER 146 N -4.00 5.22 -0.02 1.61 0.01 -0.20 -4.20 113.70 112.11 2ahr s SER 146 Ca 0.00 0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.47 2ahr s SER 146 Cb 0.00 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 65.19 2ahr s SER 146 CO 0.00 -1.22 -0.07 -0.89 0.41 0.00 0.00 173.24 171.46 2ahr s THR 147 N -2.89 0.63 -0.14 1.44 2.01 -1.26 -2.40 115.64 113.03 2ahr s THR 147 Ca 0.57 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.31 2ahr s THR 147 Cb -0.10 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.83 2ahr s THR 147 CO 0.41 0.21 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.00 2ahr s PHE 148 N 0.25 2.72 -0.60 4.92 0.08 0.22 -4.95 117.98 120.62 2ahr s PHE 148 Ca -0.03 -1.12 -0.26 0.00 0.12 0.00 0.00 56.93 55.64 2ahr s PHE 148 Cb -0.08 -1.84 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2ahr s PHE 148 CO 0.00 -0.50 1.09 0.34 -0.10 0.00 0.00 175.22 176.05 2ahr s ASP 149 N 0.73 6.34 -0.07 1.36 2.15 -1.26 -0.42 116.67 125.50 2ahr s ASP 149 Ca -0.08 -0.26 0.04 0.00 0.43 0.00 0.00 52.55 52.68 2ahr s ASP 149 Cb -0.16 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2ahr s ASP 149 CO 0.01 -1.43 -0.18 -0.63 -0.17 0.00 0.00 175.17 172.77 2ahr s ILE 150 N 4.59 1.53 0.45 4.11 1.09 -1.21 -4.98 121.20 126.79 2ahr s ILE 150 Ca 0.35 -0.74 -0.24 0.00 -1.10 0.00 0.00 60.65 58.92 2ahr s ILE 150 Cb -0.10 -1.34 -0.09 0.00 -1.06 0.00 0.00 42.46 39.87 2ahr s ILE 150 CO 0.20 0.44 1.25 -1.20 -0.10 0.00 0.00 174.94 175.54 2ahr n SER 151 N 3.45 2.42 0.27 3.58 7.64 -1.26 -4.54 113.62 125.17 2ahr n SER 151 Ca -0.20 1.07 0.14 0.00 1.01 0.00 0.00 58.87 60.89 2ahr n SER 151 Cb 0.52 -1.50 0.73 0.00 -1.01 0.00 0.00 64.21 62.96 2ahr n SER 151 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2ahr h GLU 152 N 1.88 0.00 0.00 1.43 4.81 -1.98 -0.34 114.58 120.38 2ahr h GLU 152 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2ahr h GLU 152 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2ahr h GLU 152 CO 0.59 0.11 0.00 1.57 -0.73 0.00 0.00 179.01 180.55 2ahr h LYS 153 N 0.00 0.00 -0.34 1.92 2.10 -2.05 -2.34 116.57 115.86 2ahr h LYS 153 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ahr h LYS 153 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2ahr h LYS 153 CO 0.01 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.21 2ahr n ASP 154 N -2.78 3.00 0.06 7.07 8.00 -0.14 -4.63 116.55 127.13 2ahr n ASP 154 Ca -0.02 -1.89 -0.01 0.00 0.71 0.00 0.00 54.79 53.59 2ahr n ASP 154 Cb 0.11 -0.22 0.28 0.00 -0.02 0.00 0.00 41.12 41.27 2ahr n ASP 154 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2ahr h PHE 155 N 3.03 0.38 -0.21 1.24 -1.00 -1.43 -0.95 116.94 118.01 2ahr h PHE 155 Ca 0.00 -0.07 -0.07 0.00 2.81 0.00 0.00 57.97 60.65 2ahr h PHE 155 Cb 0.78 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.24 2ahr h PHE 155 CO 0.22 0.54 -0.13 -0.44 -1.61 0.00 0.00 178.31 176.89 2ahr h ASP 156 N 0.32 0.47 -0.55 2.17 3.32 -1.82 0.22 116.42 120.55 2ahr h ASP 156 Ca 0.05 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 2ahr h ASP 156 Cb 0.55 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2ahr h ASP 156 CO 0.04 0.80 0.25 0.74 -1.72 0.00 0.00 179.24 179.35 2ahr h THR 157 N 0.14 1.21 -0.79 0.35 2.02 -1.86 -2.72 112.91 111.26 2ahr h THR 157 Ca 0.04 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2ahr h THR 157 Cb 0.63 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 2ahr h THR 157 CO 0.04 0.24 0.39 0.15 0.37 0.00 0.00 175.52 176.70 2ahr h PHE 158 N 0.74 1.13 -0.85 3.16 3.57 -0.94 -0.63 116.94 123.12 2ahr h PHE 158 Ca 0.19 -0.05 0.19 0.00 3.53 0.00 0.00 57.97 61.82 2ahr h PHE 158 Cb 0.14 -0.35 -0.11 0.00 2.79 0.00 0.00 35.95 38.41 2ahr h PHE 158 CO -0.00 0.82 0.35 1.15 -2.23 0.00 0.00 178.31 178.40 2ahr h THR 159 N 1.11 0.55 -0.04 4.41 2.02 -0.36 0.93 112.91 121.53 2ahr h THR 159 Ca 0.27 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 2ahr h THR 159 Cb 0.10 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 2ahr h THR 159 CO -0.04 0.08 -0.18 0.00 0.37 0.00 0.00 175.52 175.75 2ahr h ALA 160 N 1.65 0.08 -0.16 6.16 0.00 -1.06 0.14 119.26 126.06 2ahr h ALA 160 Ca 0.50 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2ahr h ALA 160 Cb 0.87 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2ahr h ALA 160 CO -0.48 0.03 -0.35 -0.07 0.00 0.00 0.00 179.25 178.39 2ahr h LEU 161 N -0.35 0.34 0.00 0.00 3.38 -0.68 -2.76 115.31 115.23 2ahr h LEU 161 Ca -0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2ahr h LEU 161 Cb 0.82 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2ahr h LEU 161 CO 0.04 0.67 -1.21 0.00 0.09 0.00 0.00 178.44 178.03 2ahr n ALA 162 N -2.48 2.07 -0.00 1.53 0.00 0.28 -4.47 120.51 117.43 2ahr n ALA 162 Ca -0.01 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 2ahr n ALA 162 Cb 0.45 0.42 -0.13 0.00 0.00 0.00 0.00 19.45 20.18 2ahr n ALA 162 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ahr h GLY 163 N 0.20 0.21 1.29 0.00 0.00 -1.29 -3.39 103.07 100.10 2ahr h GLY 163 Ca -0.08 -0.49 -0.27 0.00 0.00 0.00 0.00 47.33 46.48 2ahr h GLY 163 CO -0.02 0.43 -1.50 1.76 0.00 0.00 0.00 176.54 177.21 2ahr h SER 164 N -0.59 0.05 0.26 0.19 0.02 -0.86 -3.40 113.55 109.22 2ahr h SER 164 Ca -0.07 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 2ahr h SER 164 Cb 1.31 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 2ahr h SER 164 CO 0.08 1.07 -0.15 0.77 -1.14 0.00 0.00 176.83 177.46 2ahr h SER 165 N 0.01 0.00 -1.01 3.07 4.64 -1.67 -2.12 113.55 116.46 2ahr h SER 165 Ca -0.21 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.35 2ahr h SER 165 Cb 1.94 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.93 2ahr h SER 165 CO 0.10 0.15 0.63 -0.65 -0.87 0.00 0.00 176.83 176.19 2ahr h PRO 166 N 0.00 0.52 -0.15 4.77 0.11 -1.78 0.30 132.00 135.77 2ahr h PRO 166 Ca -0.00 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 2ahr h PRO 166 Cb 0.32 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 2ahr h PRO 166 CO 0.02 0.34 -0.39 0.00 -0.21 0.00 0.00 178.00 177.76 2ahr h ALA 167 N 1.66 1.06 -0.04 -0.75 0.00 -1.70 -0.00 119.26 119.50 2ahr h ALA 167 Ca 0.60 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 2ahr h ALA 167 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2ahr h ALA 167 CO -0.37 0.60 -0.79 1.88 0.00 0.00 0.00 179.25 180.57 2ahr h TYR 168 N 0.27 0.43 -0.38 0.00 0.05 -1.08 -0.74 116.97 115.53 2ahr h TYR 168 Ca 0.03 -0.21 -0.07 0.00 0.05 0.00 0.00 58.73 58.53 2ahr h TYR 168 Cb 0.82 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 2ahr h TYR 168 CO 0.02 0.98 -0.02 0.82 -1.05 0.00 0.00 178.16 178.91 2ahr h ILE 169 N 0.20 1.26 -0.70 -2.88 2.04 -0.35 -2.24 117.51 114.83 2ahr h ILE 169 Ca -0.04 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.72 2ahr h ILE 169 Cb 1.38 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 2ahr h ILE 169 CO 0.13 0.35 0.18 1.88 0.00 0.00 0.00 178.15 180.69 2ahr h TYR 170 N 0.51 1.17 -0.83 1.37 0.05 -0.88 -0.55 116.97 117.81 2ahr h TYR 170 Ca 0.11 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2ahr h TYR 170 Cb 0.50 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 2ahr h TYR 170 CO 0.04 0.95 0.43 1.25 -1.05 0.00 0.00 178.16 179.78 2ahr h LEU 171 N 1.06 1.06 -0.24 3.88 5.85 -1.05 0.76 115.31 126.63 2ahr h LEU 171 Ca 0.22 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2ahr h LEU 171 Cb 0.36 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2ahr h LEU 171 CO 0.00 0.87 0.05 0.15 -0.34 0.00 0.00 178.44 179.17 2ahr h PHE 172 N 1.16 0.41 -0.48 1.25 3.57 -1.21 0.80 116.94 122.44 2ahr h PHE 172 Ca 0.29 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.74 2ahr h PHE 172 Cb 0.07 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2ahr h PHE 172 CO 0.01 0.49 0.32 0.82 -2.23 0.00 0.00 178.31 177.72 2ahr h ILE 173 N 0.20 1.12 -0.83 1.41 2.04 -0.95 -1.76 117.51 118.74 2ahr h ILE 173 Ca 0.07 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2ahr h ILE 173 Cb 0.30 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2ahr h ILE 173 CO 0.00 0.12 0.52 -0.08 0.00 0.00 0.00 178.15 178.72 2ahr h GLU 174 N 0.65 1.11 -0.61 2.37 4.57 -0.64 -1.68 114.58 120.35 2ahr h GLU 174 Ca 0.18 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.17 2ahr h GLU 174 Cb -0.07 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.25 2ahr h GLU 174 CO -0.04 0.76 -0.00 0.00 -1.18 0.00 0.00 179.01 178.54 2ahr h ALA 175 N 1.44 0.83 -0.34 2.92 0.00 -0.44 0.81 119.26 124.49 2ahr h ALA 175 Ca 0.30 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ahr h ALA 175 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2ahr h ALA 175 CO -0.06 0.67 0.14 -0.07 0.00 0.00 0.00 179.25 179.94 2ahr h LEU 176 N 0.98 0.46 -0.55 0.00 3.38 -1.02 -1.37 115.31 117.18 2ahr h LEU 176 Ca 0.17 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2ahr h LEU 176 Cb 0.57 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2ahr h LEU 176 CO 0.03 0.48 0.17 0.00 0.09 0.00 0.00 178.44 179.21 2ahr h ALA 177 N 0.99 0.73 -0.81 1.53 0.00 -1.14 -1.91 119.26 118.65 2ahr h ALA 177 Ca 0.11 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2ahr h ALA 177 Cb 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2ahr h ALA 177 CO -0.01 0.39 0.53 0.87 0.00 0.00 0.00 179.25 181.03 2ahr h LYS 178 N 0.77 0.95 -0.56 0.00 1.79 -0.77 0.24 116.57 118.99 2ahr h LYS 178 Ca 0.18 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.50 2ahr h LYS 178 Cb 0.29 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 2ahr h LYS 178 CO -0.00 0.63 -0.01 0.00 -1.08 0.00 0.00 179.45 178.98 2ahr h ALA 179 N 1.54 0.91 -0.24 3.86 0.00 -0.93 0.22 119.26 124.62 2ahr h ALA 179 Ca 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ahr h ALA 179 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2ahr h ALA 179 CO -0.10 0.64 0.15 0.78 0.00 0.00 0.00 179.25 180.73 2ahr h GLY 180 N 0.99 0.34 1.00 0.00 0.00 -0.51 -1.83 103.07 103.07 2ahr h GLY 180 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2ahr h GLY 180 CO 0.03 0.13 0.35 -2.08 0.00 0.00 0.00 176.54 174.97 2ahr h VAL 181 N 0.31 1.14 -0.99 4.60 2.07 -0.58 -0.04 116.25 122.75 2ahr h VAL 181 Ca 0.09 -0.27 0.19 0.00 0.82 0.00 0.00 66.70 67.52 2ahr h VAL 181 Cb -0.01 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 30.03 2ahr h VAL 181 CO -0.02 0.14 0.60 0.50 0.02 0.00 0.00 177.57 178.81 2ahr h LYS 182 N 0.72 0.73 -0.64 1.57 3.64 -0.35 -2.35 116.57 119.88 2ahr h LYS 182 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2ahr h LYS 182 Cb -0.07 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 2ahr h LYS 182 CO -0.04 0.48 0.00 0.09 -2.27 0.00 0.00 179.45 177.71 2ahr n ASN 183 N -4.78 5.03 0.00 4.20 3.02 -0.71 -4.93 115.26 117.08 2ahr n ASN 183 Ca 0.23 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 2ahr n ASN 183 Cb 0.57 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2ahr n ASN 183 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ahr n GLY 184 N 1.02 0.80 3.61 7.41 0.00 -0.35 -5.02 105.19 112.67 2ahr n GLY 184 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 2ahr n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ahr s ILE 185 N -2.00 4.93 0.41 -0.61 1.01 -0.18 -4.98 121.20 119.78 2ahr s ILE 185 Ca 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.44 2ahr s ILE 185 Cb 0.00 -3.26 -0.12 0.00 0.01 0.00 0.00 42.46 39.09 2ahr s ILE 185 CO 0.00 0.40 0.81 -2.65 0.00 0.00 0.00 174.94 173.49 2ahr n PRO 186 N 4.04 0.97 -0.14 2.79 -0.02 -1.26 -2.72 135.00 138.66 2ahr n PRO 186 Ca -0.16 0.35 -0.03 0.00 -2.02 0.00 0.00 63.50 61.64 2ahr n PRO 186 Cb 0.52 -1.78 0.05 0.00 -0.02 0.00 0.00 33.50 32.27 2ahr n PRO 186 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2ahr h LYS 187 N 1.22 0.17 -0.48 -0.52 1.63 -1.95 -0.42 116.57 116.23 2ahr h LYS 187 Ca -0.42 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.34 2ahr h LYS 187 Cb 1.37 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.94 2ahr h LYS 187 CO 0.55 0.12 0.17 0.00 -3.45 0.00 0.00 179.45 176.83 2ahr h ALA 188 N 1.37 0.63 -0.23 5.00 0.00 -1.97 0.44 119.26 124.49 2ahr h ALA 188 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ahr h ALA 188 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ahr h ALA 188 CO -0.32 0.26 0.15 -0.22 0.00 0.00 0.00 179.25 179.11 2ahr h LYS 189 N 0.64 0.31 -0.66 0.00 1.63 -1.87 -0.84 116.57 115.78 2ahr h LYS 189 Ca 0.16 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.86 2ahr h LYS 189 Cb 0.23 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 2ahr h LYS 189 CO -0.01 0.23 0.11 0.00 -3.45 0.00 0.00 179.45 176.34 2ahr h ALA 190 N 1.06 0.88 -0.48 5.00 0.00 -0.83 -1.09 119.26 123.80 2ahr h ALA 190 Ca 0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2ahr h ALA 190 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2ahr h ALA 190 CO -0.02 0.64 0.03 1.25 0.00 0.00 0.00 179.25 181.15 2ahr h LEU 191 N 1.01 0.74 0.08 0.00 5.85 -0.82 -1.40 115.31 120.78 2ahr h LEU 191 Ca 0.20 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2ahr h LEU 191 Cb 0.43 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2ahr h LEU 191 CO 0.01 0.79 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.79 2ahr h GLU 192 N 0.74 -0.11 -0.12 1.25 4.81 -0.62 -0.66 114.58 119.87 2ahr h GLU 192 Ca 0.15 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2ahr h GLU 192 Cb 0.41 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2ahr h GLU 192 CO 0.01 0.13 -0.09 0.82 -0.73 0.00 0.00 179.01 179.15 2ahr h ILE 193 N -0.33 0.72 -0.12 2.32 2.04 -1.06 -2.15 117.51 118.93 2ahr h ILE 193 Ca -0.01 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.63 2ahr h ILE 193 Cb 0.28 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2ahr h ILE 193 CO 0.02 0.00 -0.78 -0.37 0.00 0.00 0.00 178.15 177.01 2ahr h VAL 194 N -0.11 1.31 -0.56 1.67 -1.51 -1.23 -0.89 116.25 114.94 2ahr h VAL 194 Ca 0.08 -2.05 0.03 0.00 -1.23 0.00 0.00 66.70 63.53 2ahr h VAL 194 Cb 0.22 2.05 -0.04 0.00 -2.13 0.00 0.00 31.29 31.39 2ahr h VAL 194 CO -0.19 0.64 0.33 0.74 -1.23 0.00 0.00 177.57 177.87 2ahr h THR 195 N 0.45 1.06 -0.48 7.19 2.02 -1.09 0.30 112.91 122.37 2ahr h THR 195 Ca -0.05 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.81 2ahr h THR 195 Cb 1.40 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 2ahr h THR 195 CO 0.15 0.12 -0.06 1.56 0.37 0.00 0.00 175.52 177.66 2ahr h GLN 196 N 0.66 0.84 -0.27 6.66 4.20 -1.31 -1.37 115.11 124.52 2ahr h GLN 196 Ca 0.22 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 2ahr h GLN 196 Cb 0.03 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2ahr h GLN 196 CO -0.10 0.88 -0.30 1.15 -0.67 0.00 0.00 178.83 179.79 2ahr h THR 197 N 0.77 1.28 -0.29 -0.54 2.02 -0.50 -1.92 112.91 113.72 2ahr h THR 197 Ca 0.14 -1.39 -0.06 0.00 0.77 0.00 0.00 66.41 65.87 2ahr h THR 197 Cb 0.55 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2ahr h THR 197 CO 0.03 0.44 -0.05 0.58 0.37 0.00 0.00 175.52 176.90 2ahr h VAL 198 N 0.48 1.27 -0.06 3.16 2.07 -0.10 -0.99 116.25 122.08 2ahr h VAL 198 Ca 0.06 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.55 2ahr h VAL 198 Cb 0.76 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2ahr h VAL 198 CO 0.06 0.34 -0.04 0.25 0.02 0.00 0.00 177.57 178.20 2ahr h LEU 199 N 0.31 -0.12 -0.74 2.57 5.85 -1.18 -0.76 115.31 121.24 2ahr h LEU 199 Ca 0.08 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2ahr h LEU 199 Cb 0.51 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2ahr h LEU 199 CO 0.02 -0.05 0.31 0.00 -0.34 0.00 0.00 178.44 178.38 2ahr h ALA 200 N 1.02 0.96 -0.18 1.25 0.00 -1.33 -0.82 119.26 120.15 2ahr h ALA 200 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2ahr h ALA 200 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2ahr h ALA 200 CO -0.08 0.57 0.04 0.77 0.00 0.00 0.00 179.25 180.55 2ahr h SER 201 N 1.06 0.27 -0.77 0.00 0.02 -0.98 0.64 113.55 113.79 2ahr h SER 201 Ca 0.25 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2ahr h SER 201 Cb 0.20 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 2ahr h SER 201 CO -0.02 0.44 0.49 0.00 -1.14 0.00 0.00 176.83 176.59 2ahr h ALA 202 N 0.85 1.00 -0.45 3.77 0.00 -1.07 -0.07 119.26 123.29 2ahr h ALA 202 Ca 0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2ahr h ALA 202 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2ahr h ALA 202 CO 0.00 0.29 -0.18 1.03 0.00 0.00 0.00 179.25 180.39 2ahr h SER 203 N 0.95 0.90 -0.36 0.00 0.87 -0.88 0.14 113.55 115.17 2ahr h SER 203 Ca 0.30 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2ahr h SER 203 Cb 0.01 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 2ahr h SER 203 CO -0.11 1.06 0.11 -1.13 -0.53 0.00 0.00 176.83 176.24 2ahr h ASN 204 N 0.78 0.53 0.11 6.23 -0.00 -0.56 -2.13 115.58 120.54 2ahr h ASN 204 Ca 0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 56.30 56.21 2ahr h ASN 204 Cb 0.72 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.90 2ahr h ASN 204 CO 0.06 0.59 -0.09 0.25 -0.00 0.00 0.00 177.43 178.24 2ahr h LEU 205 N 0.43 -0.23 -0.35 0.34 5.85 -0.74 -2.71 115.31 117.91 2ahr h LEU 205 Ca 0.12 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2ahr h LEU 205 Cb 0.25 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.27 2ahr h LEU 205 CO -0.00 -0.14 -0.37 0.50 -0.34 0.00 0.00 178.44 178.08 2ahr h LYS 206 N -0.21 -0.31 -0.02 1.25 3.64 -0.87 -2.46 116.57 117.60 2ahr h LYS 206 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2ahr h LYS 206 Cb 0.19 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2ahr h LYS 206 CO -0.01 -0.20 0.00 0.25 -2.27 0.00 0.00 179.45 177.21 2ahr n THR 207 N -5.42 0.02 -4.19 1.00 -2.24 -0.81 -4.84 114.28 97.79 2ahr n THR 207 Ca -0.00 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.49 2ahr n THR 207 Cb 0.35 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.27 2ahr n THR 207 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ahr s SER 208 N -1.75 5.06 0.00 3.42 0.15 -0.93 -5.02 113.70 114.63 2ahr s SER 208 Ca 0.36 -0.42 0.26 0.00 0.70 0.00 0.00 55.95 56.85 2ahr s SER 208 Cb 0.17 -1.14 0.59 0.00 -1.71 0.00 0.00 66.02 63.92 2ahr s SER 208 CO 0.28 -0.00 1.46 -1.54 1.20 0.00 0.00 173.24 174.64 2ahr n SER 209 N -0.91 1.08 -4.77 5.45 3.41 -1.26 -4.94 113.62 111.67 2ahr n SER 209 Ca -0.07 -0.88 -0.37 0.00 -0.26 0.00 0.00 58.87 57.28 2ahr n SER 209 Cb 0.58 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.74 2ahr n SER 209 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2ahr s GLN 210 N -2.59 3.88 0.65 4.33 -1.52 -1.26 -5.05 119.66 118.10 2ahr s GLN 210 Ca 0.21 1.73 -0.09 0.00 -1.95 0.00 0.00 55.36 55.25 2ahr s GLN 210 Cb 0.19 -2.47 0.00 0.00 -0.22 0.00 0.00 33.01 30.51 2ahr s GLN 210 CO 0.56 -0.43 1.02 -1.54 -0.25 0.00 0.00 175.29 174.65 2ahr s SER 211 N -1.37 5.63 0.26 5.90 1.04 -1.26 -4.91 113.70 118.99 2ahr s SER 211 Ca 0.61 1.04 -0.01 0.00 0.48 0.00 0.00 55.95 58.07 2ahr s SER 211 Cb -0.27 -1.95 0.56 0.00 0.10 0.00 0.00 66.02 64.46 2ahr s SER 211 CO 0.34 -1.16 1.70 -0.65 0.98 0.00 0.00 173.24 174.45 2ahr h PRO 212 N -0.43 0.36 0.00 4.02 0.11 -1.97 -0.82 132.00 133.28 2ahr h PRO 212 Ca -0.45 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2ahr h PRO 212 Cb 1.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2ahr h PRO 212 CO 0.63 0.24 -0.37 0.45 -0.21 0.00 0.00 178.00 178.73 2ahr h HIS 213 N 0.37 0.00 -0.01 0.65 3.86 -1.99 -1.37 115.15 116.66 2ahr h HIS 213 Ca 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2ahr h HIS 213 Cb 0.82 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.28 2ahr h HIS 213 CO -0.19 0.37 -0.01 -0.44 0.86 0.00 0.00 177.93 178.52 2ahr h ASP 214 N 0.00 -0.03 -0.44 2.45 3.32 -1.53 -1.87 116.42 118.31 2ahr h ASP 214 Ca -0.00 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.11 2ahr h ASP 214 Cb 0.71 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.22 2ahr h ASP 214 CO 0.05 -0.02 0.15 -0.26 -1.72 0.00 0.00 179.24 177.44 2ahr h PHE 215 N -0.01 0.26 -0.55 4.55 0.04 -1.09 -1.02 116.94 119.12 2ahr h PHE 215 Ca 0.01 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.88 2ahr h PHE 215 Cb 0.03 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.06 2ahr h PHE 215 CO -0.10 0.09 0.20 0.82 -0.60 0.00 0.00 178.31 178.73 2ahr h ILE 216 N 0.32 0.81 -0.88 -0.55 2.04 -1.09 0.18 117.51 118.33 2ahr h ILE 216 Ca 0.21 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.96 2ahr h ILE 216 Cb 0.21 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 2ahr h ILE 216 CO -0.22 0.07 0.57 0.44 0.00 0.00 0.00 178.15 179.02 2ahr h ASP 217 N 0.38 0.97 -0.70 1.72 3.32 -0.94 -0.46 116.42 120.71 2ahr h ASP 217 Ca 0.27 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 2ahr h ASP 217 Cb 0.31 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2ahr h ASP 217 CO -0.27 0.68 0.26 0.00 -1.72 0.00 0.00 179.24 178.19 2ahr h ALA 218 N 1.35 0.91 0.03 3.45 0.00 0.19 -3.22 119.26 121.97 2ahr h ALA 218 Ca 0.34 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 2ahr h ALA 218 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2ahr h ALA 218 CO -0.10 0.54 -1.06 0.82 0.00 0.00 0.00 179.25 179.45 2ahr h ILE 219 N 1.00 1.66 -1.39 0.00 2.04 -0.28 -3.42 117.51 117.12 2ahr h ILE 219 Ca 0.23 -3.34 -0.55 0.00 1.00 0.00 0.00 64.86 62.20 2ahr h ILE 219 Cb 0.23 2.87 -0.09 0.00 -0.74 0.00 0.00 36.82 39.10 2ahr h ILE 219 CO -0.02 0.96 1.31 0.00 0.00 0.00 0.00 178.15 180.40 2ahr s SER 221 N 5.14 6.99 0.24 0.00 0.01 -1.26 -4.94 113.70 119.89 2ahr s SER 221 Ca 0.47 2.26 -0.31 0.00 1.31 0.00 0.00 55.95 59.67 2ahr s SER 221 Cb -0.03 -2.62 -0.12 0.00 0.21 0.00 0.00 66.02 63.46 2ahr s SER 221 CO -0.02 -0.34 1.61 -2.65 0.41 0.00 0.00 173.24 172.25 2ahr n PRO 222 N 0.69 2.56 -1.93 12.44 -0.02 -1.26 -1.05 135.00 146.42 2ahr n PRO 222 Ca 0.01 0.92 -0.18 0.00 -2.02 0.00 0.00 63.50 62.22 2ahr n PRO 222 Cb 0.46 -2.70 -0.05 0.00 -0.02 0.00 0.00 33.50 31.20 2ahr n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ahr n GLY 223 N 2.88 0.74 1.08 -1.23 0.00 -1.26 -4.98 105.19 102.42 2ahr n GLY 223 Ca 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2ahr n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ahr n GLY 224 N -0.86 1.59 0.09 -0.02 0.00 -0.22 -5.04 105.19 100.74 2ahr n GLY 224 Ca -0.20 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.60 2ahr n GLY 224 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ahr h THR 225 N -0.11 1.57 -0.38 2.61 1.35 -1.94 -3.29 112.91 112.72 2ahr h THR 225 Ca -0.08 -3.11 -0.13 0.00 -0.55 0.00 0.00 66.41 62.54 2ahr h THR 225 Cb 0.34 2.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.59 2ahr h THR 225 CO 0.10 0.90 -0.26 0.74 -0.25 0.00 0.00 175.52 176.75 2ahr h THR 226 N 0.06 1.28 -0.41 6.82 2.02 -1.89 -2.71 112.91 118.08 2ahr h THR 226 Ca -0.08 -1.42 -0.06 0.00 0.77 0.00 0.00 66.41 65.62 2ahr h THR 226 Cb 1.83 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 69.57 2ahr h THR 226 CO 0.17 0.47 -0.01 -0.29 0.37 0.00 0.00 175.52 176.23 2ahr h ILE 227 N 0.66 1.23 -0.59 3.11 6.09 -1.84 0.13 117.51 126.30 2ahr h ILE 227 Ca 0.08 -0.93 -0.03 0.00 -1.37 0.00 0.00 64.86 62.60 2ahr h ILE 227 Cb 0.83 0.93 -0.03 0.00 0.47 0.00 0.00 36.82 39.02 2ahr h ILE 227 CO 0.07 0.32 0.25 0.00 -3.07 0.00 0.00 178.15 175.72 2ahr h ALA 228 N 1.36 0.76 -0.50 0.18 0.00 -1.61 -2.92 119.26 116.54 2ahr h ALA 228 Ca 0.13 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2ahr h ALA 228 Cb 0.41 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ahr h ALA 228 CO 0.02 0.36 -0.10 0.78 0.00 0.00 0.00 179.25 180.31 2ahr h GLY 229 N 0.81 0.98 -1.53 0.00 0.00 -1.12 -2.37 103.07 99.85 2ahr h GLY 229 Ca 0.20 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2ahr h GLY 229 CO -0.02 0.70 0.00 -0.10 0.00 0.00 0.00 176.54 177.12 2ahr n LEU 230 N -4.15 0.62 0.00 3.11 7.94 -0.01 -1.37 117.00 123.13 2ahr n LEU 230 Ca 0.02 -0.31 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 2ahr n LEU 230 Cb 0.38 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.18 2ahr n LEU 230 CO 0.44 0.11 0.00 1.21 -1.11 0.00 0.00 177.39 178.05 2ahr n GLU 232 N 0.61 0.00 -0.19 1.96 4.07 -0.89 -1.00 120.64 125.20 2ahr n GLU 232 Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 2ahr n GLU 232 Cb 0.11 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.59 2ahr n GLU 232 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2ahr h LEU 233 N 0.00 0.14 -0.06 4.31 3.38 -1.51 -1.09 115.31 120.47 2ahr h LEU 233 Ca 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ahr h LEU 233 Cb 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2ahr h LEU 233 CO 0.00 0.09 0.03 -0.33 0.09 0.00 0.00 178.44 178.32 2ahr h GLU 234 N 0.34 0.09 -0.96 1.13 4.39 -1.35 -0.22 114.58 117.99 2ahr h GLU 234 Ca 0.29 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.09 2ahr h GLU 234 Cb 0.38 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.94 2ahr h GLU 234 CO -0.32 0.15 0.62 -0.09 -1.16 0.00 0.00 179.01 178.20 2ahr h ARG 235 N -0.00 0.95 -0.02 2.33 2.43 -1.71 -1.10 114.38 117.26 2ahr h ARG 235 Ca 0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2ahr h ARG 235 Cb 0.09 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2ahr h ARG 235 CO -0.00 0.63 -0.10 1.28 -1.51 0.00 0.00 179.97 180.27 2ahr n LEU 236 N -4.57 1.79 -0.76 3.80 4.77 -0.46 -4.98 117.00 116.59 2ahr n LEU 236 Ca 0.17 -0.59 -0.02 0.00 -0.03 0.00 0.00 56.01 55.55 2ahr n LEU 236 Cb 0.32 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2ahr n LEU 236 CO 0.29 0.31 0.02 0.61 -1.33 0.00 0.00 177.39 177.29 2ahr n GLY 237 N 1.27 0.81 0.24 -0.72 0.00 -0.30 -4.92 105.19 101.57 2ahr n GLY 237 Ca 0.16 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 2ahr n GLY 237 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ahr h LEU 238 N -0.19 -0.65 -0.11 0.99 5.85 -1.35 -0.56 115.31 119.29 2ahr h LEU 238 Ca -0.04 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2ahr h LEU 238 Cb 1.03 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2ahr h LEU 238 CO 0.04 -0.22 0.07 0.74 -0.34 0.00 0.00 178.44 178.73 2ahr h THR 239 N -0.09 1.05 -0.84 1.05 2.02 -1.93 -1.93 112.91 112.23 2ahr h THR 239 Ca 0.22 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.35 2ahr h THR 239 Cb 0.43 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 2ahr h THR 239 CO -0.51 0.04 0.51 0.00 0.37 0.00 0.00 175.52 175.93 2ahr h ALA 240 N 1.02 1.16 -0.26 6.16 0.00 -1.90 -0.92 119.26 124.52 2ahr h ALA 240 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ahr h ALA 240 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2ahr h ALA 240 CO -0.01 0.23 0.16 1.15 0.00 0.00 0.00 179.25 180.78 2ahr h THR 241 N 0.92 1.09 -0.29 0.00 2.02 -0.85 0.78 112.91 116.59 2ahr h THR 241 Ca 0.37 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 2ahr h THR 241 Cb 0.21 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2ahr h THR 241 CO -0.19 0.09 0.04 0.58 0.37 0.00 0.00 175.52 176.41 2ahr h VAL 242 N 0.33 1.23 -0.53 3.16 2.07 -1.07 -1.74 116.25 119.71 2ahr h VAL 242 Ca 0.09 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 2ahr h VAL 242 Cb 0.01 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2ahr h VAL 242 CO -0.02 0.26 0.09 -1.28 0.02 0.00 0.00 177.57 176.65 2ahr h SER 243 N 0.29 0.83 -0.74 0.57 0.87 -1.09 -1.04 113.55 113.24 2ahr h SER 243 Ca 0.09 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2ahr h SER 243 Cb 0.35 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 2ahr h SER 243 CO 0.01 0.87 0.41 -1.28 -0.53 0.00 0.00 176.83 176.31 2ahr h SER 244 N 0.75 0.94 -0.60 6.23 0.87 -0.74 0.15 113.55 121.15 2ahr h SER 244 Ca 0.16 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 2ahr h SER 244 Cb 0.39 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2ahr h SER 244 CO 0.01 0.76 0.06 0.00 -0.53 0.00 0.00 176.83 177.13 2ahr h ALA 245 N 1.39 0.95 -0.11 6.23 0.00 -0.93 -1.37 119.26 125.41 2ahr h ALA 245 Ca 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ahr h ALA 245 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2ahr h ALA 245 CO -0.04 0.65 0.05 0.82 0.00 0.00 0.00 179.25 180.73 2ahr h ILE 246 N 0.96 1.12 -0.70 0.00 1.08 -0.72 -0.84 117.51 118.40 2ahr h ILE 246 Ca 0.19 -0.33 0.15 0.00 -0.39 0.00 0.00 64.86 64.47 2ahr h ILE 246 Cb 0.47 1.13 -0.10 0.00 -3.07 0.00 0.00 36.82 35.24 2ahr h ILE 246 CO 0.02 0.10 0.17 0.44 -0.69 0.00 0.00 178.15 178.19 2ahr h ASP 247 N 0.06 0.01 -0.20 1.72 3.32 -0.76 -0.55 116.42 120.02 2ahr h ASP 247 Ca 0.04 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 2ahr h ASP 247 Cb 0.12 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2ahr h ASP 247 CO -0.00 -0.02 -0.28 0.11 -1.72 0.00 0.00 179.24 177.33 2ahr h LYS 248 N 0.27 0.68 -0.43 3.56 1.79 -1.11 0.38 116.57 121.72 2ahr h LYS 248 Ca 0.39 -0.29 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2ahr h LYS 248 Cb 0.64 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 2ahr h LYS 248 CO -0.48 0.89 0.26 1.15 -1.08 0.00 0.00 179.45 180.18 2ahr h THR 249 N 0.59 1.14 -0.19 -0.16 2.02 -0.46 -1.63 112.91 114.21 2ahr h THR 249 Ca 0.07 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 2ahr h THR 249 Cb 0.77 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2ahr h THR 249 CO 0.06 0.14 -0.09 0.40 0.37 0.00 0.00 175.52 176.40 2ahr h ILE 250 N 0.57 1.31 -0.97 3.11 2.04 -0.73 -1.65 117.51 121.18 2ahr h ILE 250 Ca 0.15 -1.14 0.18 0.00 1.00 0.00 0.00 64.86 65.05 2ahr h ILE 250 Cb 0.01 1.65 -0.11 0.00 -0.74 0.00 0.00 36.82 37.64 2ahr h ILE 250 CO -0.03 0.34 0.56 0.44 0.00 0.00 0.00 178.15 179.47 2ahr h ASP 251 N 0.09 0.71 -0.23 1.72 3.32 -0.20 0.17 116.42 122.00 2ahr h ASP 251 Ca 0.04 0.10 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 2ahr h ASP 251 Cb 0.57 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2ahr h ASP 251 CO 0.03 0.25 -0.49 0.50 -1.72 0.00 0.00 179.24 177.81 2ahr h LYS 252 N 0.72 0.74 -0.78 3.56 1.63 -1.09 -1.76 116.57 119.58 2ahr h LYS 252 Ca 0.55 -0.49 0.03 0.00 -0.85 0.00 0.00 60.65 59.90 2ahr h LYS 252 Cb 0.85 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.50 2ahr h LYS 252 CO -0.39 1.11 0.50 0.00 -3.45 0.00 0.00 179.45 177.22 2ahr h ALA 253 N 0.62 1.03 -0.33 5.00 0.00 -0.55 -2.07 119.26 122.95 2ahr h ALA 253 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ahr h ALA 253 Cb 1.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2ahr h ALA 253 CO 0.11 0.31 0.21 0.87 0.00 0.00 0.00 179.25 180.75 2ahr h LYS 254 N 0.98 0.44 0.00 0.00 1.57 -0.53 -3.04 116.57 115.99 2ahr h LYS 254 Ca 0.31 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2ahr h LYS 254 Cb 0.01 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2ahr h LYS 254 CO -0.11 0.32 0.00 0.66 -0.57 0.00 0.00 179.45 179.75 2ahr h SER 255 N 0.44 0.00 0.00 0.86 4.64 -0.97 -3.51 113.55 115.02 2ahr h SER 255 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2ahr h SER 255 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2ahr h SER 255 CO -0.02 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.12