#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahr s LYS 2 N 0.00 1.45 -0.14 0.00 2.20 -1.26 -4.79 119.74 117.20 2ahr s LYS 2 Ca 0.00 -0.32 -0.03 0.00 -0.36 0.00 0.00 55.97 55.26 2ahr s LYS 2 Cb 0.00 -1.70 -0.03 0.00 -1.51 0.00 0.00 37.83 34.60 2ahr s LYS 2 CO 0.00 -0.32 -0.04 0.42 -0.36 0.00 0.00 175.35 175.05 2ahr s ILE 3 N 1.70 3.88 -0.06 5.43 1.01 0.29 -0.39 121.20 133.05 2ahr s ILE 3 Ca 0.04 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.34 2ahr s ILE 3 Cb -0.13 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 2ahr s ILE 3 CO -0.08 0.51 -0.13 -0.83 0.00 0.00 0.00 174.94 174.41 2ahr s GLY 4 N 0.16 1.55 -0.16 6.18 0.00 -0.22 -1.11 107.32 113.72 2ahr s GLY 4 Ca -0.02 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.75 2ahr s GLY 4 CO 0.03 -0.71 -0.18 -0.42 0.00 0.00 0.00 173.10 171.82 2ahr s ILE 5 N -0.65 2.32 -0.30 0.90 1.09 -0.40 -0.28 121.20 123.87 2ahr s ILE 5 Ca 0.10 -0.88 -0.08 0.00 -1.10 0.00 0.00 60.65 58.69 2ahr s ILE 5 Cb -0.11 -1.97 0.00 0.00 -1.06 0.00 0.00 42.46 39.33 2ahr s ILE 5 CO 0.01 0.53 0.11 -0.63 -0.10 0.00 0.00 174.94 174.86 2ahr s ILE 6 N 0.99 4.25 0.00 2.92 1.01 -0.46 -0.79 121.20 129.12 2ahr s ILE 6 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2ahr s ILE 6 Cb -0.15 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2ahr s ILE 6 CO -0.05 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2ahr n GLY 7 N 4.92 -1.78 2.59 6.18 0.00 0.08 -0.30 105.19 116.87 2ahr n GLY 7 Ca -0.14 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 0.73 0.00 1.61 1.01 -1.26 -3.35 120.40 119.13 2ahr s VAL 8 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 59.96 2ahr s VAL 8 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2ahr s VAL 8 CO 0.00 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.79 2ahr n GLY 9 N 3.92 3.47 0.00 4.51 0.00 -1.26 -4.80 105.19 111.04 2ahr n GLY 9 Ca 0.09 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 0.15 0.00 1.61 4.76 -1.26 -1.54 118.16 121.88 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 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 -0.53 0.00 -0.29 7.82 0.00 -1.26 -1.91 120.51 124.33 2ahr n ALA 12 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 2ahr n ALA 12 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 0.89 -0.22 0.00 0.02 -1.59 -2.55 113.55 110.10 2ahr h SER 13 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2ahr h SER 13 Cb 0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2ahr h SER 13 CO 0.00 0.64 0.13 0.00 -1.14 0.00 0.00 176.83 176.45 2ahr h ALA 14 N 1.30 1.77 0.00 3.77 0.00 -1.63 -2.73 119.26 121.75 2ahr h ALA 14 Ca 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2ahr h ALA 14 Cb -0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2ahr h ALA 14 CO -0.08 0.20 -0.04 0.82 0.00 0.00 0.00 179.25 180.15 2ahr h ILE 15 N 0.33 0.07 0.00 0.00 2.04 -1.74 -3.33 117.51 114.88 2ahr h ILE 15 Ca 0.09 -1.08 -0.16 0.00 1.00 0.00 0.00 64.86 64.72 2ahr h ILE 15 Cb 0.02 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2ahr h ILE 15 CO -0.01 0.04 -0.75 0.40 0.00 0.00 0.00 178.15 177.83 2ahr h ILE 16 N 0.00 1.46 -0.58 -0.67 2.04 -1.37 -2.57 117.51 115.83 2ahr h ILE 16 Ca -0.00 -2.61 0.09 0.00 1.00 0.00 0.00 64.86 63.33 2ahr h ILE 16 Cb 1.01 2.44 -0.07 0.00 -0.74 0.00 0.00 36.82 39.46 2ahr h ILE 16 CO 0.01 0.73 0.21 0.50 0.00 0.00 0.00 178.15 179.60 2ahr h LYS 17 N 0.00 0.38 -0.40 2.37 3.64 -1.69 0.24 116.57 121.10 2ahr h LYS 17 Ca -0.01 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 2ahr h LYS 17 Cb 1.38 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2ahr h LYS 17 CO 0.10 0.25 -0.28 0.78 -2.27 0.00 0.00 179.45 178.03 2ahr h GLY 18 N 0.39 0.93 2.00 5.01 0.00 -1.75 -3.17 103.07 106.48 2ahr h GLY 18 Ca 0.29 -0.86 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 2ahr h GLY 18 CO -0.29 0.78 -0.39 1.41 0.00 0.00 0.00 176.54 178.05 2ahr h LEU 19 N 0.73 0.00 -2.02 3.11 3.38 -0.96 -2.60 115.31 116.95 2ahr h LEU 19 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2ahr h LEU 19 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2ahr h LEU 19 CO 0.07 0.39 -0.06 0.11 0.09 0.00 0.00 178.44 179.04 2ahr h LYS 20 N 0.00 0.00 -0.11 1.13 1.57 -0.52 -2.54 116.57 116.09 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 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2ahr h LYS 20 CO 0.05 0.06 0.00 1.04 -0.57 0.00 0.00 179.45 180.03 2ahr n GLN 21 N -3.33 2.01 -3.22 3.15 6.02 -0.98 -4.84 117.38 116.19 2ahr n GLN 21 Ca -0.01 -1.49 -0.26 0.00 -0.01 0.00 0.00 57.00 55.23 2ahr n GLN 21 Cb 0.22 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 2ahr n GLN 21 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2ahr s THR 22 N -1.87 5.04 -1.56 5.09 -4.23 -0.96 -5.01 115.64 112.14 2ahr s THR 22 Ca 0.34 -0.16 0.16 0.00 -1.18 0.00 0.00 61.69 60.85 2ahr s THR 22 Cb 0.20 -3.82 0.33 0.00 1.34 0.00 0.00 72.50 70.55 2ahr s THR 22 CO 0.31 -0.54 1.44 -0.81 -0.54 0.00 0.00 174.62 174.48 2ahr n PRO 23 N -1.61 0.30 -2.24 3.99 -0.04 -1.26 -4.87 135.00 129.27 2ahr n PRO 23 Ca -0.03 0.10 -0.33 0.00 -0.04 0.00 0.00 63.50 63.20 2ahr n PRO 23 Cb 0.55 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2ahr n PRO 23 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ahr s HIS 24 N -2.44 2.93 -0.03 0.54 3.76 -1.26 -4.95 115.29 113.85 2ahr s HIS 24 Ca 0.17 1.54 -0.14 0.00 -0.15 0.00 0.00 55.06 56.48 2ahr s HIS 24 Cb 0.11 -3.07 -0.05 0.00 1.11 0.00 0.00 32.58 30.67 2ahr s HIS 24 CO 0.23 -1.09 0.38 -2.00 -0.85 0.00 0.00 174.74 171.41 2ahr s GLU 25 N -3.67 3.91 0.10 1.40 2.12 -1.26 -4.95 118.70 116.35 2ahr s GLU 25 Ca 0.66 0.34 0.09 0.00 0.36 0.00 0.00 54.97 56.43 2ahr s GLU 25 Cb -0.17 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 2ahr s GLU 25 CO 0.30 0.64 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.94 2ahr s LEU 26 N -0.89 2.52 -0.07 2.70 1.02 -1.26 0.10 118.68 122.81 2ahr s LEU 26 Ca 0.23 -0.59 -0.15 0.00 0.02 0.00 0.00 54.13 53.63 2ahr s LEU 26 Cb -0.16 -1.42 0.03 0.00 0.02 0.00 0.00 46.19 44.66 2ahr s LEU 26 CO 0.12 0.20 0.37 -0.51 0.02 0.00 0.00 176.35 176.55 2ahr s ILE 27 N -1.04 0.03 0.23 -0.59 2.07 -0.27 -4.43 121.20 117.20 2ahr s ILE 27 Ca 0.16 -0.25 0.07 0.00 -1.41 0.00 0.00 60.65 59.21 2ahr s ILE 27 Cb -0.10 -0.61 -0.05 0.00 0.13 0.00 0.00 42.46 41.82 2ahr s ILE 27 CO 0.07 -0.14 -0.10 0.27 -1.91 0.00 0.00 174.94 173.13 2ahr s ILE 28 N -0.70 1.61 -0.18 2.00 -5.25 -0.94 -1.28 121.20 116.47 2ahr s ILE 28 Ca -0.08 -2.16 -0.07 0.00 -0.99 0.00 0.00 60.65 57.35 2ahr s ILE 28 Cb -0.04 -2.20 0.08 0.00 2.95 0.00 0.00 42.46 43.25 2ahr s ILE 28 CO 0.03 -0.48 0.40 -0.55 -1.79 0.00 0.00 174.94 172.55 2ahr s SER 29 N -3.35 -0.26 0.00 4.36 0.15 0.03 -1.91 113.70 112.72 2ahr s SER 29 Ca 0.25 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2ahr s SER 29 Cb 0.02 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 2ahr s SER 29 CO 0.08 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2ahr n GLY 30 N 5.06 1.84 0.07 9.45 0.00 -1.26 -0.75 105.19 119.60 2ahr n GLY 30 Ca -0.13 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 43.99 2ahr n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ahr n SER 31 N -0.04 0.48 -3.50 1.61 3.41 -1.26 -4.77 113.62 109.56 2ahr n SER 31 Ca 0.00 0.57 -0.10 0.00 -0.26 0.00 0.00 58.87 59.07 2ahr n SER 31 Cb 0.00 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.23 2ahr n SER 31 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ahr s SER 32 N -3.91 -0.42 0.26 4.04 1.04 -1.26 -5.02 113.70 108.43 2ahr s SER 32 Ca 0.10 0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.62 2ahr s SER 32 Cb 0.13 0.42 0.52 0.00 0.10 0.00 0.00 66.02 67.20 2ahr s SER 32 CO 0.50 -0.64 1.73 -0.07 0.98 0.00 0.00 173.24 175.74 2ahr h LEU 33 N 2.15 0.33 0.06 2.42 3.38 -1.94 0.21 115.31 121.92 2ahr h LEU 33 Ca -0.24 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2ahr h LEU 33 Cb 1.23 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2ahr h LEU 33 CO 0.33 0.11 -0.03 -0.08 0.09 0.00 0.00 178.44 178.86 2ahr h GLU 34 N 0.47 -0.07 -0.88 1.13 4.57 -2.00 -1.76 114.58 116.04 2ahr h GLU 34 Ca 0.45 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.68 2ahr h GLU 34 Cb 0.71 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.26 2ahr h GLU 34 CO -0.42 0.10 0.56 0.00 -1.18 0.00 0.00 179.01 178.07 2ahr h ARG 35 N -0.24 1.03 -0.62 1.92 2.47 -1.78 -0.62 114.38 116.53 2ahr h ARG 35 Ca -0.01 -0.06 0.10 0.00 -1.26 0.00 0.00 59.98 58.75 2ahr h ARG 35 Cb 0.21 -0.23 -0.07 0.00 -1.65 0.00 0.00 29.97 28.23 2ahr h ARG 35 CO 0.01 0.68 0.24 0.77 0.56 0.00 0.00 179.97 182.23 2ahr h SER 36 N 1.06 0.24 -0.14 7.04 0.02 -0.30 -1.27 113.55 120.19 2ahr h SER 36 Ca 0.36 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.32 2ahr h SER 36 Cb 0.07 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2ahr h SER 36 CO -0.14 0.14 -0.19 0.50 -1.14 0.00 0.00 176.83 176.00 2ahr h LYS 37 N 0.42 0.38 -0.45 3.45 3.64 -0.48 -0.45 116.57 123.08 2ahr h LYS 37 Ca 0.31 -0.22 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 2ahr h LYS 37 Cb 0.39 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 2ahr h LYS 37 CO -0.31 0.79 -0.07 0.93 -2.27 0.00 0.00 179.45 178.52 2ahr h GLU 38 N -0.01 0.04 -0.35 1.90 5.08 -0.95 0.83 114.58 121.12 2ahr h GLU 38 Ca 0.02 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2ahr h GLU 38 Cb 0.74 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2ahr h GLU 38 CO 0.04 0.02 -0.23 0.82 -1.00 0.00 0.00 179.01 178.66 2ahr h ILE 39 N 0.04 1.29 -0.37 3.13 2.04 -1.23 -2.97 117.51 119.42 2ahr h ILE 39 Ca 0.22 -1.38 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 2ahr h ILE 39 Cb 0.34 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2ahr h ILE 39 CO -0.43 0.45 0.02 0.00 0.00 0.00 0.00 178.15 178.19 2ahr h ALA 40 N 0.77 1.34 0.21 1.87 0.00 -0.63 -2.25 119.26 120.57 2ahr h ALA 40 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2ahr h ALA 40 Cb 0.79 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2ahr h ALA 40 CO 0.06 0.46 -0.10 0.93 0.00 0.00 0.00 179.25 180.60 2ahr h GLU 41 N 0.55 -0.27 0.00 0.00 5.08 -0.79 -1.61 114.58 117.54 2ahr h GLU 41 Ca 0.12 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2ahr h GLU 41 Cb 0.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2ahr h GLU 41 CO 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 179.01 177.95 2ahr n GLN 42 N -5.15 0.16 0.00 2.33 10.64 -1.12 -2.25 117.38 122.00 2ahr n GLN 42 Ca -0.09 0.34 0.10 0.00 -1.83 0.00 0.00 57.00 55.52 2ahr n GLN 42 Cb 0.18 -1.78 -0.08 0.00 -0.86 0.00 0.00 30.24 27.71 2ahr n GLN 42 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2ahr n LEU 43 N -2.07 1.29 -3.52 2.61 4.77 -0.86 -4.99 117.00 114.23 2ahr n LEU 43 Ca 0.03 -0.58 -0.19 0.00 -0.03 0.00 0.00 56.01 55.24 2ahr n LEU 43 Cb 0.25 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2ahr n LEU 43 CO 0.20 0.28 0.09 0.00 -1.33 0.00 0.00 177.39 176.64 2ahr n ALA 44 N -1.02 -1.90 -2.67 -1.18 0.00 -0.70 -5.02 120.51 108.02 2ahr n ALA 44 Ca 0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 2ahr n ALA 44 Cb 0.36 -2.81 -0.11 0.00 0.00 0.00 0.00 19.45 16.89 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 -6.58 2.32 0.65 0.00 1.43 -0.69 -5.07 118.68 110.74 2ahr s LEU 45 Ca 0.10 -0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 52.38 2ahr s LEU 45 Cb -0.05 -0.38 -0.00 0.00 0.03 0.00 0.00 46.19 45.79 2ahr s LEU 45 CO 0.75 -0.16 1.13 -2.16 0.23 0.00 0.00 176.35 176.14 2ahr s PRO 46 N -2.05 2.77 0.15 1.29 0.04 -1.26 -4.55 135.00 131.37 2ahr s PRO 46 Ca -0.01 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.56 2ahr s PRO 46 Cb -0.08 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2ahr s PRO 46 CO 0.01 -1.29 -0.09 1.52 0.04 0.00 0.00 177.00 177.19 2ahr s TYR 47 N -2.19 1.24 0.00 0.56 -0.85 -1.26 -2.21 117.35 112.63 2ahr s TYR 47 Ca 0.69 -0.78 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 2ahr s TYR 47 Cb -0.23 -0.64 0.00 0.00 0.38 0.00 0.00 41.96 41.47 2ahr s TYR 47 CO 0.40 0.05 0.00 0.00 -1.52 0.00 0.00 175.55 174.48 2ahr n ALA 48 N -0.19 0.00 -0.68 9.51 0.00 -0.80 -4.90 120.51 123.45 2ahr n ALA 48 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 2ahr n ALA 48 Cb 0.61 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.29 -0.22 0.00 3.41 -1.26 -4.89 113.62 108.37 2ahr n SER 50 Ca 0.00 -0.06 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 2ahr n SER 50 Cb 0.00 -1.01 0.03 0.00 -0.26 0.00 0.00 64.21 62.97 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 -2.04 1.00 -0.70 7.33 -0.00 -1.96 -1.54 115.15 117.25 2ahr h HIS 51 Ca -0.53 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 59.69 2ahr h HIS 51 Cb 1.35 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 28.44 2ahr h HIS 51 CO 0.19 0.83 0.27 0.37 -0.00 0.00 0.00 177.93 179.59 2ahr h GLN 52 N 0.88 1.05 -0.93 2.45 5.75 -1.99 0.76 115.11 123.08 2ahr h GLN 52 Ca 0.20 -0.20 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2ahr h GLN 52 Cb 0.31 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 2ahr h GLN 52 CO -0.00 0.88 0.62 -0.44 -2.65 0.00 0.00 178.83 177.23 2ahr h ASP 53 N 1.00 1.04 0.24 -0.69 3.32 -1.91 -1.16 116.42 118.27 2ahr h ASP 53 Ca 0.23 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 2ahr h ASP 53 Cb 0.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2ahr h ASP 53 CO -0.02 0.73 -0.20 0.25 -1.72 0.00 0.00 179.24 178.29 2ahr h LEU 54 N 1.22 -0.52 -0.60 1.55 7.12 -0.71 -3.21 115.31 120.16 2ahr h LEU 54 Ca 0.36 0.04 0.11 0.00 0.13 0.00 0.00 57.88 58.52 2ahr h LEU 54 Cb -0.07 0.17 -0.08 0.00 -0.53 0.00 0.00 40.66 40.15 2ahr h LEU 54 CO -0.09 -0.31 0.14 0.40 -0.13 0.00 0.00 178.44 178.45 2ahr h ILE 55 N -0.46 0.66 0.00 4.05 2.04 -0.11 -2.85 117.51 120.84 2ahr h ILE 55 Ca -0.01 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2ahr h ILE 55 Cb 0.41 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2ahr h ILE 55 CO -0.02 0.05 0.00 0.44 0.00 0.00 0.00 178.15 178.62 2ahr h ASP 56 N 0.27 0.00 -0.02 1.72 3.32 -1.24 -3.05 116.42 117.43 2ahr h ASP 56 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2ahr h ASP 56 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2ahr h ASP 56 CO -0.39 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.13 2ahr n GLN 57 N -2.45 2.90 -5.03 3.56 10.64 -1.08 -5.03 117.38 120.89 2ahr n GLN 57 Ca 0.00 -1.59 -0.27 0.00 -1.83 0.00 0.00 57.00 53.31 2ahr n GLN 57 Cb 0.17 -1.04 -0.16 0.00 -0.86 0.00 0.00 30.24 28.35 2ahr n GLN 57 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2ahr s VAL 58 N -1.11 1.66 0.12 -0.39 1.01 -1.15 -4.91 120.40 115.63 2ahr s VAL 58 Ca 0.03 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.18 2ahr s VAL 58 Cb 0.02 -1.38 -0.21 0.00 0.00 0.00 0.00 36.38 34.81 2ahr s VAL 58 CO 0.01 0.47 1.27 0.44 0.00 0.00 0.00 175.10 177.29 2ahr h ASP 59 N 5.66 0.00 -3.58 3.32 3.45 -1.05 -3.46 116.42 120.77 2ahr h ASP 59 Ca -0.39 -0.00 -0.24 0.00 0.43 0.00 0.00 57.03 56.83 2ahr h ASP 59 Cb 1.14 -0.00 -0.30 0.00 -0.56 0.00 0.00 39.33 39.61 2ahr h ASP 59 CO 0.48 1.00 -0.62 -0.22 -1.57 0.00 0.00 179.24 178.30 2ahr s LEU 60 N -6.71 1.15 -0.13 1.55 2.96 -1.14 -4.28 118.68 112.09 2ahr s LEU 60 Ca 0.01 0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 2ahr s LEU 60 Cb 0.10 0.27 -0.03 0.00 0.50 0.00 0.00 46.19 47.03 2ahr s LEU 60 CO 0.82 -0.10 0.00 -0.69 -1.32 0.00 0.00 176.35 175.06 2ahr s VAL 61 N 0.70 4.28 -0.15 1.68 1.01 -0.72 -1.05 120.40 126.14 2ahr s VAL 61 Ca -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 2ahr s VAL 61 Cb -0.07 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2ahr s VAL 61 CO -0.03 0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 174.89 2ahr s ILE 62 N -0.19 3.34 -0.27 2.22 1.01 0.61 0.07 121.20 127.99 2ahr s ILE 62 Ca 0.05 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.02 2ahr s ILE 62 Cb -0.12 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 2ahr s ILE 62 CO 0.02 0.50 0.29 -0.76 0.00 0.00 0.00 174.94 174.99 2ahr s LEU 63 N 0.58 4.04 -0.07 2.97 1.43 0.82 -1.36 118.68 127.09 2ahr s LEU 63 Ca -0.06 0.18 0.11 0.00 -1.03 0.00 0.00 54.13 53.34 2ahr s LEU 63 Cb -0.15 -2.30 0.31 0.00 0.03 0.00 0.00 46.19 44.09 2ahr s LEU 63 CO 0.03 -0.11 1.25 0.61 0.23 0.00 0.00 176.35 178.35 2ahr n GLY 64 N 4.76 3.42 3.91 -3.19 0.00 0.58 -4.62 105.19 110.05 2ahr n GLY 64 Ca -0.11 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.74 4.07 0.51 -0.61 -4.36 -1.22 -4.44 121.20 113.41 2ahr s ILE 65 Ca 0.25 0.09 -0.21 0.00 -0.26 0.00 0.00 60.65 60.53 2ahr s ILE 65 Cb 0.18 -3.59 -0.07 0.00 1.25 0.00 0.00 42.46 40.23 2ahr s ILE 65 CO 0.09 -0.61 1.12 -0.54 0.24 0.00 0.00 174.94 175.25 2ahr s LYS 66 N -4.92 3.54 0.24 0.37 1.02 -1.26 -4.78 119.74 113.94 2ahr s LYS 66 Ca 0.52 1.61 -0.04 0.00 0.02 0.00 0.00 55.97 58.08 2ahr s LYS 66 Cb -0.10 -2.13 0.43 0.00 -0.52 0.00 0.00 37.83 35.51 2ahr s LYS 66 CO 0.45 -0.70 1.76 -1.00 -0.92 0.00 0.00 175.35 174.94 2ahr h PRO 67 N 1.49 0.54 0.00 -1.68 0.13 -1.96 -1.47 132.00 129.05 2ahr h PRO 67 Ca -0.50 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2ahr h PRO 67 Cb 1.25 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2ahr h PRO 67 CO 0.58 0.35 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 2ahr n GLN 68 N -4.91 0.28 0.00 0.86 0.00 -1.26 -1.01 117.38 111.34 2ahr n GLN 68 Ca 0.14 0.10 0.09 0.00 0.00 0.00 0.00 57.00 57.33 2ahr n GLN 68 Cb 0.37 -1.50 0.06 0.00 0.00 0.00 0.00 30.24 29.16 2ahr n GLN 68 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2ahr n LEU 69 N -1.18 2.36 0.09 2.61 4.32 -0.56 -4.72 117.00 119.92 2ahr n LEU 69 Ca 0.08 -0.93 -0.12 0.00 -0.02 0.00 0.00 56.01 55.02 2ahr n LEU 69 Cb 0.09 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.83 2ahr n LEU 69 CO 0.09 0.42 0.74 -0.26 -1.22 0.00 0.00 177.39 177.16 2ahr h PHE 70 N 3.27 -0.50 0.84 -1.77 -1.00 -1.09 -1.58 116.94 115.12 2ahr h PHE 70 Ca 0.00 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 2ahr h PHE 70 Cb 0.75 0.21 0.01 0.00 3.61 0.00 0.00 35.95 40.53 2ahr h PHE 70 CO 0.00 -0.27 -0.41 1.49 -1.61 0.00 0.00 178.31 177.51 2ahr h GLU 71 N -0.34 -1.10 -0.65 1.51 4.81 -1.84 0.15 114.58 117.12 2ahr h GLU 71 Ca 0.04 0.07 0.14 0.00 -0.13 0.00 0.00 59.36 59.48 2ahr h GLU 71 Cb 0.38 0.25 -0.10 0.00 0.63 0.00 0.00 28.75 29.91 2ahr h GLU 71 CO -0.13 -0.73 0.06 1.15 -0.73 0.00 0.00 179.01 178.63 2ahr h THR 72 N -1.14 0.51 0.06 0.32 2.02 -1.86 -1.36 112.91 111.45 2ahr h THR 72 Ca -0.12 -0.06 -0.28 0.00 0.77 0.00 0.00 66.41 66.72 2ahr h THR 72 Cb 0.87 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2ahr h THR 72 CO 0.19 0.03 -1.48 0.58 0.37 0.00 0.00 175.52 175.20 2ahr h VAL 73 N 0.17 1.17 0.09 3.16 2.07 -1.23 -3.40 116.25 118.27 2ahr h VAL 73 Ca 0.35 -2.89 -0.35 0.00 0.82 0.00 0.00 66.70 64.63 2ahr h VAL 73 Cb 0.57 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 2ahr h VAL 73 CO -0.51 0.76 -1.95 0.18 0.02 0.00 0.00 177.57 176.06 2ahr n LEU 74 N -3.31 2.16 -0.11 2.57 4.32 0.04 -4.48 117.00 118.18 2ahr n LEU 74 Ca -0.14 0.24 -0.05 0.00 -0.02 0.00 0.00 56.01 56.05 2ahr n LEU 74 Cb 1.02 -0.75 0.02 0.00 -1.62 0.00 0.00 43.42 42.09 2ahr n LEU 74 CO 0.48 0.73 0.87 0.11 -1.22 0.00 0.00 177.39 178.36 2ahr h LYS 75 N 0.05 0.14 0.00 3.23 1.57 -1.40 -0.97 116.57 119.19 2ahr h LYS 75 Ca -0.40 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2ahr h LYS 75 Cb 2.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.31 2ahr h LYS 75 CO 0.08 0.09 0.00 -0.35 -0.57 0.00 0.00 179.45 178.70 2ahr n PRO 76 N -5.15 0.60 -2.88 3.15 -0.04 -1.26 -4.83 135.00 124.59 2ahr n PRO 76 Ca 0.02 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.28 2ahr n PRO 76 Cb 0.19 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.00 3.51 -0.43 1.53 1.43 -0.37 -5.09 118.68 117.27 2ahr s LEU 77 Ca 0.29 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2ahr s LEU 77 Cb 0.13 -2.83 0.13 0.00 0.03 0.00 0.00 46.19 43.65 2ahr s LEU 77 CO 0.22 -0.89 0.22 -1.00 0.23 0.00 0.00 176.35 175.12 2ahr s HIS 78 N -2.55 2.13 0.57 0.29 3.76 -1.26 -5.04 115.29 113.19 2ahr s HIS 78 Ca 0.54 -2.44 -0.14 0.00 -0.15 0.00 0.00 55.06 52.86 2ahr s HIS 78 Cb -0.10 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 2ahr s HIS 78 CO 0.36 -0.80 1.02 -0.06 -0.85 0.00 0.00 174.74 174.41 2ahr s PHE 79 N 0.45 3.39 0.00 1.40 0.40 -1.26 -4.94 117.98 117.42 2ahr s PHE 79 Ca 0.16 1.42 0.01 0.00 -0.60 0.00 0.00 56.93 57.92 2ahr s PHE 79 Cb -0.24 -2.82 0.01 0.00 0.51 0.00 0.00 43.02 40.49 2ahr s PHE 79 CO -0.02 -0.65 0.75 0.36 0.70 0.00 0.00 175.22 176.35 2ahr n LYS 80 N -2.10 0.00 -4.28 0.44 0.00 -1.26 -5.07 118.16 105.88 2ahr n LYS 80 Ca 0.07 -0.51 -0.15 0.00 -0.00 0.00 0.00 58.31 57.72 2ahr n LYS 80 Cb 0.54 -0.20 -0.10 0.00 -0.00 0.00 0.00 35.03 35.26 2ahr n LYS 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2ahr s GLN 81 N 0.00 1.30 0.38 -1.58 1.11 -1.26 -5.10 119.66 114.51 2ahr s GLN 81 Ca 0.01 -1.68 -0.27 0.00 0.01 0.00 0.00 55.36 53.43 2ahr s GLN 81 Cb 0.01 -0.18 -0.11 0.00 -1.01 0.00 0.00 33.01 31.72 2ahr s GLN 81 CO -0.00 -0.27 1.24 -2.30 0.01 0.00 0.00 175.29 173.97 2ahr n PRO 82 N -0.37 1.93 -5.22 2.91 -0.02 -1.26 -4.75 135.00 128.22 2ahr n PRO 82 Ca -0.01 0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 2ahr n PRO 82 Cb 0.65 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.16 2.16 -0.23 4.25 1.01 -1.03 -1.76 121.20 124.45 2ahr s ILE 83 Ca 0.59 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 2ahr s ILE 83 Cb -0.55 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2ahr s ILE 83 CO 0.60 0.57 0.07 -0.63 0.00 0.00 0.00 174.94 175.54 2ahr s ILE 84 N -0.11 4.43 0.19 2.92 1.01 0.11 -1.02 121.20 128.72 2ahr s ILE 84 Ca -0.05 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.49 2ahr s ILE 84 Cb -0.14 -3.05 0.03 0.00 0.01 0.00 0.00 42.46 39.31 2ahr s ILE 84 CO 0.04 0.37 0.25 -0.24 0.00 0.00 0.00 174.94 175.36 2ahr n SER 85 N 4.54 0.83 0.00 3.58 2.88 0.03 -0.13 113.62 125.35 2ahr n SER 85 Ca -0.16 -1.53 0.00 0.00 -1.33 0.00 0.00 58.87 55.85 2ahr n SER 85 Cb 0.52 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 -1.80 -1.76 -1.46 0.00 -1.26 -0.63 120.51 110.84 2ahr n ALA 87 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 2ahr n ALA 87 Cb 0.20 -0.37 0.03 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.13 2.81 0.00 0.00 0.00 -1.26 -4.03 121.76 118.16 2ahr s ALA 88 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2ahr s ALA 88 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2ahr s ALA 88 CO 0.00 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.01 2ahr n GLY 89 N 0.63 2.82 3.34 0.00 0.00 -1.26 -4.72 105.19 106.00 2ahr n GLY 89 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.82 4.20 0.70 -0.61 1.01 -1.26 -4.69 121.20 117.73 2ahr s ILE 90 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 2ahr s ILE 90 Cb 0.00 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.18 2ahr s ILE 90 CO 0.00 -0.13 1.09 -0.94 0.00 0.00 0.00 174.94 174.96 2ahr s SER 91 N 1.50 5.00 0.26 3.58 1.04 -1.26 -4.84 113.70 118.98 2ahr s SER 91 Ca 0.01 1.84 -0.03 0.00 0.48 0.00 0.00 55.95 58.25 2ahr s SER 91 Cb -0.19 -2.53 0.40 0.00 0.10 0.00 0.00 66.02 63.80 2ahr s SER 91 CO 0.05 -1.70 1.88 -0.07 0.98 0.00 0.00 173.24 174.37 2ahr h LEU 92 N -0.50 1.02 -0.50 2.42 3.38 -1.98 -0.96 115.31 118.19 2ahr h LEU 92 Ca -0.45 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.55 2ahr h LEU 92 Cb 1.23 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2ahr h LEU 92 CO 0.54 0.65 0.31 -0.61 0.09 0.00 0.00 178.44 179.41 2ahr h GLN 93 N 1.16 0.60 -0.48 1.13 4.15 -2.00 -0.69 115.11 118.97 2ahr h GLN 93 Ca 0.43 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.68 2ahr h GLN 93 Cb 0.16 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 2ahr h GLN 93 CO -0.17 0.39 -0.20 0.00 -1.93 0.00 0.00 178.83 176.93 2ahr h ARG 94 N 0.61 0.97 -0.84 1.69 3.08 -1.81 -2.76 114.38 115.32 2ahr h ARG 94 Ca 0.20 -0.40 0.02 0.00 0.07 0.00 0.00 59.98 59.86 2ahr h ARG 94 Cb -0.01 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2ahr h ARG 94 CO -0.08 1.07 0.55 1.25 -1.07 0.00 0.00 179.97 181.69 2ahr h LEU 95 N 0.84 0.94 -1.59 3.04 5.85 -0.87 -1.83 115.31 121.69 2ahr h LEU 95 Ca 0.11 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2ahr h LEU 95 Cb 0.76 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2ahr h LEU 95 CO 0.06 0.67 0.35 0.00 -0.34 0.00 0.00 178.44 179.18 2ahr h ALA 96 N 1.32 1.83 -0.20 1.25 0.00 -0.89 -0.19 119.26 122.38 2ahr h ALA 96 Ca 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2ahr h ALA 96 Cb -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2ahr h ALA 96 CO -0.08 0.09 0.02 1.15 0.00 0.00 0.00 179.25 180.43 2ahr h THR 97 N 0.52 1.11 0.02 0.00 2.02 -1.06 0.20 112.91 115.72 2ahr h THR 97 Ca 0.22 -0.42 -0.29 0.00 0.77 0.00 0.00 66.41 66.69 2ahr h THR 97 Cb 0.22 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 2ahr h THR 97 CO -0.06 0.14 -1.64 -0.26 0.37 0.00 0.00 175.52 174.07 2ahr h PHE 98 N 0.28 0.06 0.00 3.16 0.04 -0.85 -3.42 116.94 116.21 2ahr h PHE 98 Ca 0.07 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2ahr h PHE 98 Cb 0.15 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2ahr h PHE 98 CO 0.00 1.08 -0.67 1.33 -0.60 0.00 0.00 178.31 179.45 2ahr n VAL 99 N -3.13 0.00 0.00 -0.55 0.24 -0.47 -4.12 118.33 110.30 2ahr n VAL 99 Ca -0.16 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2ahr n VAL 99 Cb 1.04 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 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 1.96 4.10 0.53 7.63 0.00 0.70 -4.65 105.19 115.47 2ahr n GLY 100 Ca 0.00 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.72 2ahr n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ahr n GLN 101 N -1.43 1.73 -0.17 1.61 1.13 -1.26 -4.00 117.38 114.99 2ahr n GLN 101 Ca 0.00 -1.07 0.05 0.00 -1.94 0.00 0.00 57.00 54.04 2ahr n GLN 101 Cb 0.00 -1.47 0.14 0.00 0.11 0.00 0.00 30.24 29.02 2ahr n GLN 101 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2ahr n ASP 102 N 0.29 2.86 -4.54 1.08 5.75 -1.26 -5.00 116.55 115.74 2ahr n ASP 102 Ca 0.18 -2.11 -0.34 0.00 -0.01 0.00 0.00 54.79 52.52 2ahr n ASP 102 Cb 0.37 -0.23 -0.12 0.00 -1.03 0.00 0.00 41.12 40.12 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 -1.19 3.18 0.23 -2.12 1.43 -1.26 -5.08 118.68 113.87 2ahr s LEU 103 Ca 0.21 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 2ahr s LEU 103 Cb 0.12 -1.72 -0.10 0.00 0.03 0.00 0.00 46.19 44.53 2ahr s LEU 103 CO 0.13 0.28 1.45 -2.84 0.23 0.00 0.00 176.35 175.60 2ahr s PRO 104 N -0.33 4.27 -0.03 1.29 0.02 -1.26 -4.83 135.00 134.13 2ahr s PRO 104 Ca 0.05 2.29 0.02 0.00 0.02 0.00 0.00 61.00 63.37 2ahr s PRO 104 Cb -0.12 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.28 2ahr s PRO 104 CO 0.02 -0.44 -0.06 -0.51 -0.33 0.00 0.00 177.00 175.68 2ahr s LEU 105 N -0.09 1.61 0.13 -5.54 1.43 -1.26 -2.46 118.68 112.50 2ahr s LEU 105 Ca 0.61 -0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.66 2ahr s LEU 105 Cb -0.42 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 2ahr s LEU 105 CO 0.41 0.01 -0.25 -0.76 0.23 0.00 0.00 176.35 175.98 2ahr s LEU 106 N 0.48 2.33 -0.05 1.79 1.02 -0.19 -0.62 118.68 123.44 2ahr s LEU 106 Ca -0.07 -0.75 0.04 0.00 0.02 0.00 0.00 54.13 53.37 2ahr s LEU 106 Cb -0.11 -1.14 -0.02 0.00 0.02 0.00 0.00 46.19 44.94 2ahr s LEU 106 CO 0.00 0.15 -0.16 -0.13 0.02 0.00 0.00 176.35 176.23 2ahr s ARG 107 N -2.11 2.48 0.00 1.70 0.52 0.81 -0.79 118.95 121.55 2ahr s ARG 107 Ca 0.13 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 2ahr s ARG 107 Cb -0.10 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.03 2ahr s ARG 107 CO 0.06 0.60 0.00 0.44 0.02 0.00 0.00 175.30 176.42 2ahr n ILE 108 N 2.36 0.00 -4.00 1.52 -5.35 0.20 -1.19 119.36 112.89 2ahr n ILE 108 Ca -0.17 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.33 2ahr n ILE 108 Cb 0.52 -0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.41 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 0.03 0.00 6.28 -0.04 -1.26 -4.39 135.00 135.62 2ahr n PRO 110 Ca 0.00 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 2ahr n PRO 110 Cb 0.00 0.58 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.57 0.00 0.00 3.54 0.23 -1.26 -4.42 115.26 112.78 2ahr n ASN 111 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 2ahr n ASN 111 Cb 0.31 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 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 -0.47 0.53 3.02 -1.26 -4.67 115.26 112.41 2ahr n ASN 113 Ca 0.00 0.00 0.41 0.00 -0.03 0.00 0.00 54.58 54.96 2ahr n ASN 113 Cb 0.00 -0.82 0.74 0.00 -0.61 0.00 0.00 39.78 39.09 2ahr n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ahr h ALA 114 N 0.00 3.24 -0.11 5.41 0.00 -1.82 -0.13 119.26 125.85 2ahr h ALA 114 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2ahr h ALA 114 Cb 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ahr h ALA 114 CO 0.00 -1.70 0.08 1.96 0.00 0.00 0.00 179.25 179.59 2ahr h GLN 115 N 0.05 0.00 -0.24 0.00 4.20 -1.83 0.28 115.11 117.57 2ahr h GLN 115 Ca 0.74 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.45 2ahr h GLN 115 Cb 2.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.54 2ahr h GLN 115 CO -0.10 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.50 2ahr n ILE 116 N -4.45 1.94 -3.25 2.54 -5.35 -0.26 -4.97 119.36 105.56 2ahr n ILE 116 Ca -0.00 -1.71 -0.22 0.00 -0.27 0.00 0.00 62.75 60.54 2ahr n ILE 116 Cb 0.20 -0.07 0.05 0.00 -1.74 0.00 0.00 39.64 38.08 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 -0.41 -2.97 -2.19 7.28 4.77 0.09 -4.93 117.00 118.65 2ahr n LEU 117 Ca 0.18 -0.39 -0.05 0.00 -0.03 0.00 0.00 56.01 55.73 2ahr n LEU 117 Cb 0.75 -2.88 0.05 0.00 -2.33 0.00 0.00 43.42 39.01 2ahr n LEU 117 CO 0.12 0.41 0.08 0.00 -1.33 0.00 0.00 177.39 176.67 2ahr n GLN 118 N -4.30 1.87 -1.99 3.23 6.02 -0.22 -2.79 117.38 119.19 2ahr n GLN 118 Ca -0.05 -3.38 -0.36 0.00 -0.01 0.00 0.00 57.00 53.20 2ahr n GLN 118 Cb 0.59 -1.48 0.04 0.00 1.02 0.00 0.00 30.24 30.40 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 -3.38 5.17 -0.45 1.08 0.15 -0.46 -4.61 113.70 111.19 2ahr s SER 119 Ca 0.35 2.38 -0.10 0.00 0.70 0.00 0.00 55.95 59.28 2ahr s SER 119 Cb 0.36 -2.60 0.10 0.00 -1.71 0.00 0.00 66.02 62.17 2ahr s SER 119 CO -0.05 -1.61 0.32 -0.44 1.20 0.00 0.00 173.24 172.67 2ahr s SER 120 N -1.63 5.73 -0.21 5.45 0.01 -1.26 -0.70 113.70 121.09 2ahr s SER 120 Ca 0.77 -1.72 -0.03 0.00 1.31 0.00 0.00 55.95 56.28 2ahr s SER 120 Cb -0.30 -2.02 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 2ahr s SER 120 CO 0.33 -0.64 -0.06 -0.89 0.41 0.00 0.00 173.24 172.39 2ahr s THR 121 N 1.41 3.28 0.35 1.44 2.01 -0.48 -4.45 115.64 119.20 2ahr s THR 121 Ca 0.04 -0.53 -0.25 0.00 0.31 0.00 0.00 61.69 61.26 2ahr s THR 121 Cb -0.25 -2.47 -0.10 0.00 0.01 0.00 0.00 72.50 69.69 2ahr s THR 121 CO 0.01 0.44 0.96 0.00 -0.69 0.00 0.00 174.62 175.34 2ahr s ALA 122 N 1.33 3.18 -0.03 7.40 0.00 -1.26 0.00 121.76 132.39 2ahr s ALA 122 Ca 0.04 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.55 2ahr s ALA 122 Cb -0.14 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2ahr s ALA 122 CO -0.03 0.11 -0.03 -1.17 0.00 0.00 0.00 175.76 174.64 2ahr s LEU 123 N -2.25 1.52 0.13 0.00 2.96 -0.02 -4.12 118.68 116.89 2ahr s LEU 123 Ca 0.52 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 54.18 2ahr s LEU 123 Cb -0.18 -0.31 0.04 0.00 0.50 0.00 0.00 46.19 46.24 2ahr s LEU 123 CO 0.23 -0.03 0.45 0.28 -1.32 0.00 0.00 176.35 175.96 2ahr s THR 124 N 0.59 0.05 0.09 3.68 -1.32 -0.34 -3.05 115.64 115.34 2ahr s THR 124 Ca -0.07 -0.43 -0.02 0.00 -1.21 0.00 0.00 61.69 59.96 2ahr s THR 124 Cb -0.10 -1.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 2ahr s THR 124 CO -0.00 -0.24 0.03 -0.83 -2.21 0.00 0.00 174.62 171.37 2ahr s GLY 125 N -2.79 0.66 0.69 6.08 0.00 -1.26 -0.14 107.32 110.56 2ahr s GLY 125 Ca 0.02 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.36 2ahr s GLY 125 CO -0.12 -1.28 0.87 1.16 0.00 0.00 0.00 173.10 173.72 2ahr n ASN 126 N 0.00 -0.27 0.28 1.64 0.23 0.21 -4.91 115.26 112.44 2ahr n ASN 126 Ca -0.10 -1.25 0.16 0.00 -0.53 0.00 0.00 54.58 52.85 2ahr n ASN 126 Cb 0.62 -0.69 0.84 0.00 -2.08 0.00 0.00 39.78 38.48 2ahr n ASN 126 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ahr h ALA 127 N -1.98 1.20 -0.00 -2.53 0.00 -1.96 -2.08 119.26 111.92 2ahr h ALA 127 Ca -0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2ahr h ALA 127 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2ahr h ALA 127 CO 0.20 0.08 -0.01 1.28 0.00 0.00 0.00 179.25 180.81 2ahr n LEU 128 N -3.46 0.04 -4.53 0.00 4.77 -1.26 -4.77 117.00 107.79 2ahr n LEU 128 Ca -0.02 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.67 2ahr n LEU 128 Cb 0.20 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2ahr n LEU 128 CO 0.27 0.01 0.52 -0.69 -1.33 0.00 0.00 177.39 176.17 2ahr s VAL 129 N -2.31 4.69 1.01 4.08 1.01 -0.78 -4.55 120.40 123.55 2ahr s VAL 129 Ca 0.37 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 2ahr s VAL 129 Cb 0.21 -4.30 0.20 0.00 0.00 0.00 0.00 36.38 32.49 2ahr s VAL 129 CO 0.42 -0.70 1.09 -0.94 0.00 0.00 0.00 175.10 174.97 2ahr s SER 130 N 2.13 2.17 0.26 3.32 1.04 -1.26 -4.83 113.70 116.53 2ahr s SER 130 Ca 0.28 1.87 0.23 0.00 0.48 0.00 0.00 55.95 58.81 2ahr s SER 130 Cb -0.13 -2.44 1.00 0.00 0.10 0.00 0.00 66.02 64.55 2ahr s SER 130 CO 0.22 -3.52 1.69 0.00 0.98 0.00 0.00 173.24 172.61 2ahr n GLN 131 N -4.49 0.18 0.06 4.02 6.02 -1.26 -2.32 117.38 119.60 2ahr n GLN 131 Ca 0.08 0.46 -0.13 0.00 -0.01 0.00 0.00 57.00 57.40 2ahr n GLN 131 Cb 0.53 -1.88 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 2ahr n GLN 131 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2ahr h GLU 132 N 0.00 -0.18 -0.18 -1.09 4.81 -2.00 -3.09 114.58 112.86 2ahr h GLU 132 Ca 0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2ahr h GLU 132 Cb 0.30 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2ahr h GLU 132 CO 0.00 0.20 -0.10 1.25 -0.73 0.00 0.00 179.01 179.62 2ahr h LEU 133 N -0.59 0.40 -2.08 1.64 5.85 -1.86 -2.30 115.31 116.37 2ahr h LEU 133 Ca -0.02 -0.42 0.09 0.00 0.84 0.00 0.00 57.88 58.36 2ahr h LEU 133 Cb 0.46 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2ahr h LEU 133 CO 0.03 0.74 0.25 -0.61 -0.34 0.00 0.00 178.44 178.51 2ahr h GLN 134 N 0.06 0.00 -0.06 1.25 4.15 -1.61 -1.21 115.11 117.70 2ahr h GLN 134 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 2ahr h GLN 134 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 2ahr h GLN 134 CO 0.03 0.00 -0.24 0.00 -1.93 0.00 0.00 178.83 176.69 2ahr h ALA 135 N 1.79 0.11 -0.69 3.38 0.00 -1.34 -1.08 119.26 121.42 2ahr h ALA 135 Ca 0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2ahr h ALA 135 Cb 0.64 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2ahr h ALA 135 CO -0.00 0.10 0.33 0.00 0.00 0.00 0.00 179.25 179.68 2ahr h ARG 136 N -0.26 0.98 -0.15 0.00 3.08 -0.84 -1.95 114.38 115.24 2ahr h ARG 136 Ca -0.01 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 59.71 2ahr h ARG 136 Cb 0.88 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2ahr h ARG 136 CO 0.05 0.76 -0.70 0.28 -1.07 0.00 0.00 179.97 179.30 2ahr h VAL 137 N 0.98 1.32 -0.16 2.04 2.07 -1.29 -2.93 116.25 118.26 2ahr h VAL 137 Ca 0.24 -1.96 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 2ahr h VAL 137 Cb 0.10 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2ahr h VAL 137 CO -0.03 0.61 -0.08 -0.09 0.02 0.00 0.00 177.57 178.01 2ahr h ARG 138 N 0.46 0.25 -0.32 1.57 2.43 -0.77 -0.50 114.38 117.50 2ahr h ARG 138 Ca -0.03 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 2ahr h ARG 138 Cb 1.29 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 2ahr h ARG 138 CO 0.14 0.34 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.34 2ahr h ASP 139 N 0.24 0.56 -0.09 -3.80 3.32 -1.29 -1.03 116.42 114.33 2ahr h ASP 139 Ca 0.05 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2ahr h ASP 139 Cb 0.29 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2ahr h ASP 139 CO 0.01 0.74 0.05 -0.07 -1.72 0.00 0.00 179.24 178.25 2ahr h LEU 140 N 0.52 0.11 -0.67 1.55 4.07 -0.95 -2.95 115.31 116.99 2ahr h LEU 140 Ca 0.09 -0.08 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 2ahr h LEU 140 Cb 0.57 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 2ahr h LEU 140 CO 0.04 0.16 -0.63 0.71 -1.08 0.00 0.00 178.44 177.64 2ahr h THR 141 N 0.06 1.43 0.00 0.22 1.35 -1.17 -2.32 112.91 112.48 2ahr h THR 141 Ca 0.03 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 2ahr h THR 141 Cb 0.08 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2ahr h THR 141 CO -0.01 0.61 0.00 0.44 -0.25 0.00 0.00 175.52 176.32 2ahr h ASP 142 N 0.09 0.00 1.24 5.36 3.32 -1.19 -2.54 116.42 122.70 2ahr h ASP 142 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2ahr h ASP 142 Cb 1.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 2ahr h ASP 142 CO 0.09 0.00 -0.03 0.77 -1.72 0.00 0.00 179.24 178.35 2ahr h SER 143 N 0.00 0.00 0.00 6.45 4.64 -1.23 -3.26 113.55 120.15 2ahr h SER 143 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2ahr h SER 143 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 2ahr h SER 143 CO 0.00 0.03 -0.20 2.22 -0.87 0.00 0.00 176.83 178.00 2ahr n PHE 144 N -3.12 0.00 0.00 4.77 1.16 -0.97 -4.45 117.46 114.85 2ahr n PHE 144 Ca 0.01 -0.84 0.00 0.00 -1.87 0.00 0.00 57.45 54.76 2ahr n PHE 144 Cb 0.37 -0.14 0.00 0.00 -1.61 0.00 0.00 39.48 38.10 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 -1.03 -0.12 3.81 4.97 0.00 -1.12 -1.36 105.19 110.35 2ahr n GLY 145 Ca 0.13 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 5.45 -0.08 1.61 0.01 0.13 -4.30 113.70 112.52 2ahr s SER 146 Ca 0.00 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.01 2ahr s SER 146 Cb 0.00 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.87 2ahr s SER 146 CO 0.00 -0.04 -0.19 -0.89 0.41 0.00 0.00 173.24 172.53 2ahr s THR 147 N -2.15 1.67 -0.17 1.44 2.01 -1.26 -1.39 115.64 115.79 2ahr s THR 147 Ca 0.33 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 2ahr s THR 147 Cb -0.08 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 2ahr s THR 147 CO 0.25 0.47 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.18 2ahr s PHE 148 N 0.35 2.86 -0.56 4.92 0.08 0.10 -4.95 117.98 120.79 2ahr s PHE 148 Ca -0.14 -0.93 -0.26 0.00 0.12 0.00 0.00 56.93 55.72 2ahr s PHE 148 Cb -0.16 -1.96 0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2ahr s PHE 148 CO 0.06 -0.45 1.03 -0.51 -0.10 0.00 0.00 175.22 175.25 2ahr s ASP 149 N 0.96 6.38 -0.05 1.36 1.01 -1.26 -0.84 116.67 124.22 2ahr s ASP 149 Ca -0.02 -0.18 0.05 0.00 0.71 0.00 0.00 52.55 53.11 2ahr s ASP 149 Cb -0.15 -2.48 -0.00 0.00 1.01 0.00 0.00 42.92 41.30 2ahr s ASP 149 CO -0.01 -1.31 -0.20 -0.63 0.21 0.00 0.00 175.17 173.23 2ahr s ILE 150 N 4.29 1.65 0.46 0.77 -1.09 -1.17 -4.97 121.20 121.14 2ahr s ILE 150 Ca 0.35 -0.83 -0.20 0.00 -2.23 0.00 0.00 60.65 57.74 2ahr s ILE 150 Cb -0.11 -1.41 -0.10 0.00 -1.58 0.00 0.00 42.46 39.27 2ahr s ILE 150 CO 0.22 0.47 0.98 -0.94 -1.23 0.00 0.00 174.94 174.43 2ahr s SER 151 N 0.02 6.72 0.39 3.58 1.04 -1.26 -4.47 113.70 119.72 2ahr s SER 151 Ca -0.05 1.72 0.07 0.00 0.48 0.00 0.00 55.95 58.18 2ahr s SER 151 Cb -0.13 -2.54 0.82 0.00 0.10 0.00 0.00 66.02 64.27 2ahr s SER 151 CO 0.03 -0.52 2.00 -0.08 0.98 0.00 0.00 173.24 175.65 2ahr h GLU 152 N 1.61 0.62 -0.06 4.02 4.81 -1.96 0.14 114.58 123.77 2ahr h GLU 152 Ca -0.49 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2ahr h GLU 152 Cb 1.19 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 2ahr h GLU 152 CO 0.61 0.41 0.17 1.57 -0.73 0.00 0.00 179.01 181.04 2ahr h LYS 153 N 0.64 0.00 -0.39 1.92 2.10 -2.05 -1.64 116.57 117.15 2ahr h LYS 153 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 2ahr h LYS 153 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2ahr h LYS 153 CO -0.07 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.13 2ahr n ASP 154 N -3.27 3.34 -0.21 7.07 8.00 0.48 -4.60 116.55 127.37 2ahr n ASP 154 Ca -0.01 -1.95 -0.09 0.00 0.71 0.00 0.00 54.79 53.45 2ahr n ASP 154 Cb 0.25 -0.26 0.04 0.00 -0.02 0.00 0.00 41.12 41.13 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 3.96 1.16 -0.48 1.24 -1.00 -1.28 -0.53 116.94 120.01 2ahr h PHE 155 Ca 0.00 -0.19 -0.04 0.00 2.81 0.00 0.00 57.97 60.55 2ahr h PHE 155 Cb 0.91 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 2ahr h PHE 155 CO 0.26 1.01 0.13 -0.44 -1.61 0.00 0.00 178.31 177.66 2ahr h ASP 156 N 0.99 0.72 -0.07 2.17 3.32 -1.81 0.22 116.42 121.95 2ahr h ASP 156 Ca 0.18 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2ahr h ASP 156 Cb 0.53 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 2ahr h ASP 156 CO 0.03 0.75 0.02 0.74 -1.72 0.00 0.00 179.24 179.05 2ahr h THR 157 N 0.65 1.20 -0.90 0.35 2.02 -1.86 -2.07 112.91 112.29 2ahr h THR 157 Ca 0.15 -0.60 0.13 0.00 0.77 0.00 0.00 66.41 66.87 2ahr h THR 157 Cb 0.30 1.46 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 2ahr h THR 157 CO -0.00 0.17 0.58 0.15 0.37 0.00 0.00 175.52 176.79 2ahr h PHE 158 N -0.10 0.89 -0.55 3.16 3.57 -0.94 -0.23 116.94 122.74 2ahr h PHE 158 Ca 0.02 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.58 2ahr h PHE 158 Cb 0.25 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 2ahr h PHE 158 CO 0.01 0.34 0.33 1.15 -2.23 0.00 0.00 178.31 177.91 2ahr h THR 159 N 0.76 1.04 -0.31 4.41 2.02 0.03 0.09 112.91 120.96 2ahr h THR 159 Ca 0.45 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 2ahr h THR 159 Cb 0.64 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2ahr h THR 159 CO -0.21 0.12 -0.10 0.00 0.37 0.00 0.00 175.52 175.69 2ahr h ALA 160 N 1.25 0.43 -0.02 6.16 0.00 -0.78 0.13 119.26 126.43 2ahr h ALA 160 Ca 0.23 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2ahr h ALA 160 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2ahr h ALA 160 CO -0.11 0.29 -0.72 -0.07 0.00 0.00 0.00 179.25 178.64 2ahr h LEU 161 N 0.39 0.17 0.00 0.00 3.38 -0.63 -2.67 115.31 115.95 2ahr h LEU 161 Ca 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ahr h LEU 161 Cb 0.61 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2ahr h LEU 161 CO 0.04 0.83 -0.89 0.00 0.09 0.00 0.00 178.44 178.51 2ahr n ALA 162 N -2.45 1.90 -0.05 1.53 0.00 -0.02 -4.43 120.51 116.99 2ahr n ALA 162 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 2ahr n ALA 162 Cb 0.70 0.25 -0.13 0.00 0.00 0.00 0.00 19.45 20.27 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 0.00 0.09 1.42 0.00 0.00 -1.36 -3.40 103.07 99.82 2ahr h GLY 163 Ca 0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 47.33 46.84 2ahr h GLY 163 CO 0.00 0.20 -1.41 1.76 0.00 0.00 0.00 176.54 177.09 2ahr h SER 164 N -0.80 0.05 -0.12 0.19 0.02 -0.88 -3.40 113.55 108.60 2ahr h SER 164 Ca -0.19 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.71 2ahr h SER 164 Cb 1.32 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 2ahr h SER 164 CO -0.04 1.06 0.09 0.77 -1.14 0.00 0.00 176.83 177.56 2ahr h SER 165 N 0.01 0.05 -0.97 3.07 4.64 -1.68 -2.17 113.55 116.50 2ahr h SER 165 Ca -0.17 -0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.35 2ahr h SER 165 Cb 1.92 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.91 2ahr h SER 165 CO 0.11 0.03 0.62 -0.65 -0.87 0.00 0.00 176.83 176.07 2ahr h PRO 166 N 0.06 0.56 -0.48 4.77 0.11 -1.79 0.24 132.00 135.46 2ahr h PRO 166 Ca 0.05 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 2ahr h PRO 166 Cb 0.15 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 2ahr h PRO 166 CO -0.01 0.37 -0.02 0.00 -0.21 0.00 0.00 178.00 178.13 2ahr h ALA 167 N 1.62 1.06 -0.19 -0.75 0.00 -1.71 0.22 119.26 119.51 2ahr h ALA 167 Ca 0.54 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2ahr h ALA 167 Cb 1.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2ahr h ALA 167 CO -0.28 0.58 -0.55 1.88 0.00 0.00 0.00 179.25 180.89 2ahr h TYR 168 N 0.75 0.92 -0.52 0.00 0.05 -1.19 -0.55 116.97 116.43 2ahr h TYR 168 Ca 0.14 -0.36 0.06 0.00 0.05 0.00 0.00 58.73 58.62 2ahr h TYR 168 Cb 0.49 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 38.01 2ahr h TYR 168 CO 0.03 1.16 0.21 0.82 -1.05 0.00 0.00 178.16 179.33 2ahr h ILE 169 N 0.42 0.86 -0.40 -2.88 2.04 -0.48 -1.09 117.51 115.97 2ahr h ILE 169 Ca -0.01 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 2ahr h ILE 169 Cb 1.17 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2ahr h ILE 169 CO 0.12 0.07 -0.19 1.88 0.00 0.00 0.00 178.15 180.04 2ahr h TYR 170 N 0.41 0.87 -0.51 1.37 0.05 -0.77 -0.73 116.97 117.66 2ahr h TYR 170 Ca 0.25 -0.19 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 2ahr h TYR 170 Cb 0.24 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 2ahr h TYR 170 CO -0.14 0.90 0.12 1.25 -1.05 0.00 0.00 178.16 179.23 2ahr h LEU 171 N 0.69 0.72 -0.08 3.88 5.85 -0.84 -0.56 115.31 124.96 2ahr h LEU 171 Ca 0.10 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2ahr h LEU 171 Cb 0.69 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2ahr h LEU 171 CO 0.05 0.72 -0.01 0.15 -0.34 0.00 0.00 178.44 179.01 2ahr h PHE 172 N 0.75 0.17 -0.32 1.25 3.57 -0.57 -0.37 116.94 121.43 2ahr h PHE 172 Ca 0.17 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.68 2ahr h PHE 172 Cb 0.29 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2ahr h PHE 172 CO 0.02 0.45 0.05 0.82 -2.23 0.00 0.00 178.31 177.42 2ahr h ILE 173 N -0.15 0.83 -0.88 1.41 2.04 -1.08 -1.56 117.51 118.12 2ahr h ILE 173 Ca 0.02 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.91 2ahr h ILE 173 Cb 0.39 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 2ahr h ILE 173 CO 0.01 0.03 0.57 -0.08 0.00 0.00 0.00 178.15 178.68 2ahr h GLU 174 N 0.16 0.89 -0.55 2.37 4.57 -0.98 -1.13 114.58 119.91 2ahr h GLU 174 Ca 0.15 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 2ahr h GLU 174 Cb 0.18 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2ahr h GLU 174 CO -0.21 0.59 -0.10 0.00 -1.18 0.00 0.00 179.01 178.11 2ahr h ALA 175 N 1.55 0.78 -0.33 2.92 0.00 -0.34 -0.33 119.26 123.51 2ahr h ALA 175 Ca 0.40 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ahr h ALA 175 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2ahr h ALA 175 CO -0.16 0.67 0.16 -0.07 0.00 0.00 0.00 179.25 179.85 2ahr h LEU 176 N 0.92 0.43 -0.44 0.00 3.38 -0.48 -1.33 115.31 117.79 2ahr h LEU 176 Ca 0.14 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2ahr h LEU 176 Cb 0.67 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2ahr h LEU 176 CO 0.05 0.44 -0.01 0.00 0.09 0.00 0.00 178.44 179.01 2ahr h ALA 177 N 1.01 0.59 -0.98 1.53 0.00 -1.09 -0.76 119.26 119.55 2ahr h ALA 177 Ca 0.11 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2ahr h ALA 177 Cb 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2ahr h ALA 177 CO -0.01 0.39 0.64 0.87 0.00 0.00 0.00 179.25 181.14 2ahr h LYS 178 N 0.62 1.17 -0.51 0.00 1.79 -0.98 0.07 116.57 118.73 2ahr h LYS 178 Ca 0.12 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 2ahr h LYS 178 Cb 0.51 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 2ahr h LYS 178 CO 0.02 0.78 0.25 0.00 -1.08 0.00 0.00 179.45 179.42 2ahr h ALA 179 N 1.44 0.66 -0.46 3.86 0.00 -0.84 0.50 119.26 124.43 2ahr h ALA 179 Ca 0.40 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.29 2ahr h ALA 179 Cb 0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.57 2ahr h ALA 179 CO -0.14 0.21 -0.06 0.78 0.00 0.00 0.00 179.25 180.05 2ahr h GLY 180 N 0.68 0.40 0.97 0.00 0.00 -0.45 -2.12 103.07 102.54 2ahr h GLY 180 Ca 0.18 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.62 2ahr h GLY 180 CO -0.02 -0.15 0.14 -2.08 0.00 0.00 0.00 176.54 174.43 2ahr h VAL 181 N 0.05 1.04 -0.96 4.60 2.07 -0.46 -1.11 116.25 121.48 2ahr h VAL 181 Ca 0.23 -0.10 0.18 0.00 0.82 0.00 0.00 66.70 67.82 2ahr h VAL 181 Cb 0.34 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 2ahr h VAL 181 CO -0.43 0.05 0.61 0.50 0.02 0.00 0.00 177.57 178.32 2ahr h LYS 182 N 0.29 0.67 -0.60 1.57 3.64 -0.75 -1.54 116.57 119.86 2ahr h LYS 182 Ca 0.09 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2ahr h LYS 182 Cb -0.02 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 2ahr h LYS 182 CO -0.03 0.44 0.08 0.09 -2.27 0.00 0.00 179.45 177.76 2ahr n ASN 183 N -4.64 5.33 0.00 4.20 3.02 -0.81 -4.95 115.26 117.41 2ahr n ASN 183 Ca 0.21 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.72 2ahr n ASN 183 Cb 0.56 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 0.29 0.67 3.71 7.41 0.00 -0.58 -5.02 105.19 111.67 2ahr n GLY 184 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 5.24 0.43 -0.61 1.01 -0.48 -4.99 121.20 119.80 2ahr s ILE 185 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.54 2ahr s ILE 185 Cb 0.00 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 2ahr s ILE 185 CO 0.00 0.45 1.07 -2.65 0.00 0.00 0.00 174.94 173.81 2ahr n PRO 186 N 3.45 1.46 -0.18 2.79 -0.02 -1.26 -2.83 135.00 138.41 2ahr n PRO 186 Ca -0.16 0.52 -0.01 0.00 -2.02 0.00 0.00 63.50 61.83 2ahr n PRO 186 Cb 0.52 -2.12 0.09 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.62 0.19 -0.69 -0.52 1.63 -1.95 -0.91 116.57 115.94 2ahr h LYS 187 Ca -0.45 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 2ahr h LYS 187 Cb 1.33 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.88 2ahr h LYS 187 CO 0.57 0.13 0.32 0.00 -3.45 0.00 0.00 179.45 177.02 2ahr h ALA 188 N 1.46 0.89 -0.29 5.00 0.00 -1.97 -1.17 119.26 123.18 2ahr h ALA 188 Ca 0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2ahr h ALA 188 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ahr h ALA 188 CO -0.41 0.46 -0.19 -0.22 0.00 0.00 0.00 179.25 178.90 2ahr h LYS 189 N 0.96 0.65 -0.70 0.00 1.63 -1.77 -1.22 116.57 116.12 2ahr h LYS 189 Ca 0.23 -0.30 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 2ahr h LYS 189 Cb 0.14 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 2ahr h LYS 189 CO -0.03 0.90 0.22 0.00 -3.45 0.00 0.00 179.45 177.09 2ahr h ALA 190 N 0.74 1.07 -0.48 5.00 0.00 -1.06 -0.69 119.26 123.83 2ahr h ALA 190 Ca 0.06 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2ahr h ALA 190 Cb 0.73 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2ahr h ALA 190 CO 0.05 0.63 -0.19 1.25 0.00 0.00 0.00 179.25 180.99 2ahr h LEU 191 N 1.03 0.99 0.18 0.00 5.85 -1.15 0.04 115.31 122.26 2ahr h LEU 191 Ca 0.23 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2ahr h LEU 191 Cb 0.28 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2ahr h LEU 191 CO -0.01 1.15 -0.09 -0.08 -0.34 0.00 0.00 178.44 179.07 2ahr h GLU 192 N 0.84 -0.24 -0.01 1.25 4.81 -0.90 -0.21 114.58 120.12 2ahr h GLU 192 Ca 0.11 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2ahr h GLU 192 Cb 0.76 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 2ahr h GLU 192 CO 0.06 -0.14 -0.18 0.82 -0.73 0.00 0.00 179.01 178.84 2ahr h ILE 193 N -0.27 0.56 -0.18 2.32 2.04 -0.92 -2.16 117.51 118.90 2ahr h ILE 193 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2ahr h ILE 193 Cb 0.21 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2ahr h ILE 193 CO 0.04 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.75 2ahr h VAL 194 N -0.29 1.27 -0.46 1.67 2.07 -0.95 -0.09 116.25 119.48 2ahr h VAL 194 Ca 0.06 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.69 2ahr h VAL 194 Cb 0.37 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2ahr h VAL 194 CO -0.18 0.28 0.22 0.74 0.02 0.00 0.00 177.57 178.65 2ahr h THR 195 N 0.07 0.94 -0.58 2.57 2.02 -1.02 0.24 112.91 117.14 2ahr h THR 195 Ca 0.05 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 2ahr h THR 195 Cb 0.43 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2ahr h THR 195 CO 0.01 0.08 0.08 -0.61 0.37 0.00 0.00 175.52 175.45 2ahr h GLN 196 N 0.43 0.95 -0.45 6.66 4.15 -1.22 -0.05 115.11 125.57 2ahr h GLN 196 Ca 0.20 -0.24 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 2ahr h GLN 196 Cb 0.13 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2ahr h GLN 196 CO -0.16 0.88 -0.11 1.15 -1.93 0.00 0.00 178.83 178.67 2ahr h THR 197 N 0.89 1.27 -0.05 2.39 2.02 -0.24 -1.58 112.91 117.61 2ahr h THR 197 Ca 0.18 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 2ahr h THR 197 Cb 0.41 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2ahr h THR 197 CO 0.01 0.42 0.02 0.58 0.37 0.00 0.00 175.52 176.92 2ahr h VAL 198 N 0.71 1.16 -0.33 3.16 2.07 -0.29 -0.00 116.25 122.73 2ahr h VAL 198 Ca 0.12 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.23 2ahr h VAL 198 Cb 0.65 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 2ahr h VAL 198 CO 0.04 0.13 -0.20 0.25 0.02 0.00 0.00 177.57 177.82 2ahr h LEU 199 N -0.10 -0.67 -0.54 2.57 5.85 -0.99 -1.98 115.31 119.45 2ahr h LEU 199 Ca 0.02 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 2ahr h LEU 199 Cb 0.20 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2ahr h LEU 199 CO -0.00 -0.24 -0.08 0.00 -0.34 0.00 0.00 178.44 177.78 2ahr h ALA 200 N 1.04 0.73 -0.70 1.25 0.00 -1.11 -2.41 119.26 118.05 2ahr h ALA 200 Ca 0.17 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2ahr h ALA 200 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2ahr h ALA 200 CO -0.43 0.63 0.46 0.77 0.00 0.00 0.00 179.25 180.68 2ahr h SER 201 N 0.88 0.81 0.60 0.00 0.02 -0.72 0.15 113.55 115.29 2ahr h SER 201 Ca 0.14 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.88 2ahr h SER 201 Cb 0.65 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2ahr h SER 201 CO 0.04 0.60 -0.83 0.00 -1.14 0.00 0.00 176.83 175.50 2ahr h ALA 202 N 1.25 0.59 -0.30 3.77 0.00 -1.32 -0.88 119.26 122.38 2ahr h ALA 202 Ca 0.26 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2ahr h ALA 202 Cb -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ahr h ALA 202 CO -0.05 0.91 0.06 1.03 0.00 0.00 0.00 179.25 181.20 2ahr h SER 203 N 0.09 0.46 -0.18 0.00 0.87 -0.97 -1.21 113.55 112.61 2ahr h SER 203 Ca -0.03 -0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.32 2ahr h SER 203 Cb 1.44 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.24 2ahr h SER 203 CO 0.12 0.59 -0.02 -1.13 -0.53 0.00 0.00 176.83 175.86 2ahr h ASN 204 N 0.32 -0.12 -0.59 6.23 -0.00 -0.51 -1.85 115.58 119.05 2ahr h ASN 204 Ca 0.09 0.05 0.08 0.00 -0.00 0.00 0.00 56.30 56.52 2ahr h ASN 204 Cb 0.31 0.09 -0.06 0.00 -0.00 0.00 0.00 38.32 38.66 2ahr h ASN 204 CO 0.00 -0.04 0.26 0.25 -0.00 0.00 0.00 177.43 177.90 2ahr h LEU 205 N 0.03 0.30 -0.43 0.34 5.85 -1.05 -2.09 115.31 118.27 2ahr h LEU 205 Ca 0.09 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2ahr h LEU 205 Cb 0.12 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2ahr h LEU 205 CO -0.17 0.19 0.13 0.50 -0.34 0.00 0.00 178.44 178.75 2ahr h LYS 206 N 0.47 0.67 -0.00 1.25 3.64 -0.80 -2.85 116.57 118.94 2ahr h LYS 206 Ca 0.29 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2ahr h LYS 206 Cb 0.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2ahr h LYS 206 CO -0.26 0.66 -0.14 0.25 -2.27 0.00 0.00 179.45 177.69 2ahr n THR 207 N -4.56 0.00 -3.72 1.00 -2.24 -0.73 -4.87 114.28 99.15 2ahr n THR 207 Ca 0.00 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 2ahr n THR 207 Cb 0.19 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.92 6.21 0.00 3.42 0.15 -0.80 -5.01 113.70 114.76 2ahr s SER 208 Ca 0.16 0.07 0.24 0.00 0.70 0.00 0.00 55.95 57.12 2ahr s SER 208 Cb 0.19 -1.72 0.36 0.00 -1.71 0.00 0.00 66.02 63.15 2ahr s SER 208 CO 0.56 -0.22 1.31 -1.54 1.20 0.00 0.00 173.24 174.56 2ahr n SER 209 N -1.55 0.76 -4.79 5.45 3.41 -1.26 -4.95 113.62 110.69 2ahr n SER 209 Ca -0.06 -0.57 -0.34 0.00 -0.26 0.00 0.00 58.87 57.64 2ahr n SER 209 Cb 0.57 0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.89 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 -2.90 3.74 0.70 4.33 -0.21 -1.26 -5.07 119.66 118.99 2ahr s GLN 210 Ca 0.13 1.42 -0.10 0.00 0.02 0.00 0.00 55.36 56.82 2ahr s GLN 210 Cb 0.17 -2.11 0.02 0.00 1.00 0.00 0.00 33.01 32.10 2ahr s GLN 210 CO 0.70 -0.49 1.07 -1.54 -2.12 0.00 0.00 175.29 172.91 2ahr s SER 211 N -1.91 5.37 0.23 5.90 1.04 -1.26 -4.89 113.70 118.17 2ahr s SER 211 Ca 0.68 1.01 -0.07 0.00 0.48 0.00 0.00 55.95 58.05 2ahr s SER 211 Cb -0.18 -1.81 0.37 0.00 0.10 0.00 0.00 66.02 64.49 2ahr s SER 211 CO 0.22 -1.35 1.71 -0.65 0.98 0.00 0.00 173.24 174.15 2ahr h PRO 212 N -0.61 0.33 -0.26 4.02 0.11 -1.97 -1.95 132.00 131.67 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 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2ahr h PRO 212 CO 0.63 0.22 -0.19 0.45 -0.21 0.00 0.00 178.00 178.90 2ahr h HIS 213 N 0.34 0.50 0.01 0.65 3.86 -1.98 0.69 115.15 119.22 2ahr h HIS 213 Ca 0.36 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.51 2ahr h HIS 213 Cb 0.54 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 2ahr h HIS 213 CO -0.22 0.63 -0.19 -0.44 0.86 0.00 0.00 177.93 178.57 2ahr h ASP 214 N 0.42 -0.55 -0.63 2.45 3.32 -1.78 -1.14 116.42 118.51 2ahr h ASP 214 Ca 0.07 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.24 2ahr h ASP 214 Cb 0.57 0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 2ahr h ASP 214 CO 0.04 -0.25 0.36 -0.26 -1.72 0.00 0.00 179.24 177.40 2ahr h PHE 215 N -0.31 0.67 -0.68 4.55 0.04 -0.95 -2.04 116.94 118.22 2ahr h PHE 215 Ca 0.05 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.94 2ahr h PHE 215 Cb 0.38 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.25 2ahr h PHE 215 CO -0.23 0.34 0.32 0.82 -0.60 0.00 0.00 178.31 178.96 2ahr h ILE 216 N 0.69 0.82 -0.85 -0.55 2.04 -0.68 -0.21 117.51 118.77 2ahr h ILE 216 Ca 0.27 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2ahr h ILE 216 Cb 0.11 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 2ahr h ILE 216 CO -0.15 0.10 0.51 0.44 0.00 0.00 0.00 178.15 179.05 2ahr h ASP 217 N 0.54 1.02 -0.27 1.72 3.32 -0.56 -1.08 116.42 121.11 2ahr h ASP 217 Ca 0.34 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 2ahr h ASP 217 Cb 0.38 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2ahr h ASP 217 CO -0.28 0.79 -0.26 0.00 -1.72 0.00 0.00 179.24 177.76 2ahr h ALA 218 N 1.38 0.84 0.02 3.45 0.00 -0.69 -3.27 119.26 120.99 2ahr h ALA 218 Ca 0.30 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 2ahr h ALA 218 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2ahr h ALA 218 CO -0.06 0.64 -0.94 0.82 0.00 0.00 0.00 179.25 179.72 2ahr h ILE 219 N 0.66 1.56 -1.10 0.00 2.04 -0.63 -3.41 117.51 116.62 2ahr h ILE 219 Ca 0.08 -2.87 -0.64 0.00 1.00 0.00 0.00 64.86 62.44 2ahr h ILE 219 Cb 0.78 2.61 -0.10 0.00 -0.74 0.00 0.00 36.82 39.38 2ahr h ILE 219 CO 0.06 0.83 1.72 0.00 0.00 0.00 0.00 178.15 180.77 2ahr s SER 221 N 4.60 6.35 0.22 0.00 0.01 -1.26 -4.91 113.70 118.71 2ahr s SER 221 Ca 0.48 3.03 -0.32 0.00 1.31 0.00 0.00 55.95 60.45 2ahr s SER 221 Cb 0.01 -2.66 -0.12 0.00 0.21 0.00 0.00 66.02 63.46 2ahr s SER 221 CO -0.03 -0.89 1.68 -2.65 0.41 0.00 0.00 173.24 171.76 2ahr n PRO 222 N 0.94 2.70 -1.31 12.44 -0.02 -1.26 -1.24 135.00 147.25 2ahr n PRO 222 Ca 0.03 0.97 -0.11 0.00 -2.02 0.00 0.00 63.50 62.37 2ahr n PRO 222 Cb 0.39 -2.80 -0.05 0.00 -0.02 0.00 0.00 33.50 31.02 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 3.54 1.16 0.04 -1.23 0.00 -1.26 -5.00 105.19 102.44 2ahr n GLY 223 Ca 0.15 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.07 1.19 0.12 -0.02 0.00 -0.37 -5.04 105.19 100.00 2ahr n GLY 224 Ca -0.11 -2.02 -0.18 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.24 1.50 -0.80 2.61 1.35 -1.95 -3.26 112.91 112.12 2ahr h THR 225 Ca -0.00 -2.32 -0.00 0.00 -0.55 0.00 0.00 66.41 63.54 2ahr h THR 225 Cb 0.01 2.96 -0.04 0.00 -1.73 0.00 0.00 68.15 69.35 2ahr h THR 225 CO 0.00 0.66 0.48 0.74 -0.25 0.00 0.00 175.52 177.16 2ahr h THR 226 N -0.31 1.22 -0.03 6.82 2.02 -1.89 -1.29 112.91 119.45 2ahr h THR 226 Ca -0.10 -0.48 -0.10 0.00 0.77 0.00 0.00 66.41 66.50 2ahr h THR 226 Cb 1.44 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2ahr h THR 226 CO 0.13 0.23 -0.43 -0.29 0.37 0.00 0.00 175.52 175.52 2ahr h ILE 227 N 1.09 1.31 -0.28 3.11 6.09 -1.84 0.14 117.51 127.13 2ahr h ILE 227 Ca 0.29 -1.51 -0.02 0.00 -1.37 0.00 0.00 64.86 62.24 2ahr h ILE 227 Cb -0.05 1.78 -0.01 0.00 0.47 0.00 0.00 36.82 39.01 2ahr h ILE 227 CO -0.05 0.44 0.09 0.00 -3.07 0.00 0.00 178.15 175.55 2ahr h ALA 228 N 1.51 0.37 -0.33 0.18 0.00 -1.42 -3.06 119.26 116.50 2ahr h ALA 228 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2ahr h ALA 228 Cb 0.79 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2ahr h ALA 228 CO 0.06 -0.01 -0.26 0.78 0.00 0.00 0.00 179.25 179.83 2ahr h GLY 229 N 0.29 0.72 -1.61 0.00 0.00 -0.93 -2.75 103.07 98.78 2ahr h GLY 229 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2ahr h GLY 229 CO -0.00 0.56 0.00 -0.10 0.00 0.00 0.00 176.54 177.00 2ahr n LEU 230 N -4.10 0.50 0.00 3.11 7.94 0.47 -1.80 117.00 123.11 2ahr n LEU 230 Ca -0.00 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.65 2ahr n LEU 230 Cb 0.44 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.27 2ahr n LEU 230 CO 0.44 0.09 0.00 1.21 -1.11 0.00 0.00 177.39 178.02 2ahr n GLU 232 N 0.69 0.00 -0.35 1.96 4.07 -1.04 -1.73 120.64 124.24 2ahr n GLU 232 Ca 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2ahr n GLU 232 Cb 0.09 0.00 0.13 0.00 -0.06 0.00 0.00 31.44 31.60 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 1.02 -0.32 4.31 3.38 -1.66 -0.99 115.31 121.05 2ahr h LEU 233 Ca 0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2ahr h LEU 233 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2ahr h LEU 233 CO 0.00 0.70 -0.14 -0.33 0.09 0.00 0.00 178.44 178.75 2ahr h GLU 234 N 1.19 0.67 -0.69 1.13 4.39 -1.62 0.72 114.58 120.36 2ahr h GLU 234 Ca 0.38 -0.29 0.09 0.00 0.34 0.00 0.00 59.36 59.88 2ahr h GLU 234 Cb 0.02 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 2ahr h GLU 234 CO -0.13 0.88 0.34 -0.09 -1.16 0.00 0.00 179.01 178.85 2ahr h ARG 235 N 0.44 0.58 -0.02 2.33 2.43 -1.70 -2.99 114.38 115.46 2ahr h ARG 235 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2ahr h ARG 235 Cb 0.67 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2ahr h ARG 235 CO 0.04 0.38 -0.27 1.28 -1.51 0.00 0.00 179.97 179.89 2ahr n LEU 236 N -4.86 1.97 -0.13 3.80 4.77 -0.43 -4.97 117.00 117.14 2ahr n LEU 236 Ca 0.10 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2ahr n LEU 236 Cb 0.25 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2ahr n LEU 236 CO 0.25 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2ahr n GLY 237 N 1.36 1.06 0.33 -0.72 0.00 -0.20 -4.93 105.19 102.09 2ahr n GLY 237 Ca 0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -1.03 -0.11 0.99 5.85 -1.22 0.10 115.31 119.89 2ahr h LEU 238 Ca 0.00 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2ahr h LEU 238 Cb 0.53 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2ahr h LEU 238 CO 0.00 -0.28 0.05 0.74 -0.34 0.00 0.00 178.44 178.61 2ahr h THR 239 N -0.09 1.13 -1.00 1.05 2.02 -1.94 -1.95 112.91 112.13 2ahr h THR 239 Ca 0.29 -0.40 0.09 0.00 0.77 0.00 0.00 66.41 67.16 2ahr h THR 239 Cb 0.56 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 2ahr h THR 239 CO -0.74 0.12 0.64 0.00 0.37 0.00 0.00 175.52 175.90 2ahr h ALA 240 N 0.90 1.47 -0.25 6.16 0.00 -1.83 -1.95 119.26 123.76 2ahr h ALA 240 Ca 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2ahr h ALA 240 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2ahr h ALA 240 CO -0.00 0.34 -0.02 1.15 0.00 0.00 0.00 179.25 180.72 2ahr h THR 241 N 1.08 1.27 -0.44 0.00 2.02 -0.59 -0.16 112.91 116.09 2ahr h THR 241 Ca 0.46 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2ahr h THR 241 Cb 0.32 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 2ahr h THR 241 CO -0.21 0.30 0.24 0.58 0.37 0.00 0.00 175.52 176.79 2ahr h VAL 242 N 0.21 1.16 -0.38 3.16 2.07 -1.21 -1.17 116.25 120.09 2ahr h VAL 242 Ca 0.07 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2ahr h VAL 242 Cb 0.45 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2ahr h VAL 242 CO 0.02 0.17 0.15 -1.28 0.02 0.00 0.00 177.57 176.65 2ahr h SER 243 N 0.57 0.53 -0.70 0.57 0.87 -1.25 0.02 113.55 114.16 2ahr h SER 243 Ca 0.15 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 2ahr h SER 243 Cb 0.06 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2ahr h SER 243 CO -0.02 0.56 0.29 -1.28 -0.53 0.00 0.00 176.83 175.85 2ahr h SER 244 N 0.47 0.98 -0.80 6.23 0.87 -1.00 0.39 113.55 120.69 2ahr h SER 244 Ca 0.13 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2ahr h SER 244 Cb 0.20 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 2ahr h SER 244 CO -0.01 0.87 0.43 0.00 -0.53 0.00 0.00 176.83 177.59 2ahr h ALA 245 N 1.27 1.03 -0.31 6.23 0.00 -0.70 -0.76 119.26 126.02 2ahr h ALA 245 Ca 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2ahr h ALA 245 Cb 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2ahr h ALA 245 CO -0.02 0.55 0.02 0.82 0.00 0.00 0.00 179.25 180.62 2ahr h ILE 246 N 1.11 1.25 -0.76 0.00 1.08 -0.61 -0.78 117.51 118.80 2ahr h ILE 246 Ca 0.28 -0.89 0.11 0.00 -0.39 0.00 0.00 64.86 63.97 2ahr h ILE 246 Cb 0.05 1.23 -0.08 0.00 -3.07 0.00 0.00 36.82 34.95 2ahr h ILE 246 CO -0.04 0.29 0.39 0.44 -0.69 0.00 0.00 178.15 178.53 2ahr h ASP 247 N 0.33 0.51 -0.44 1.72 5.19 -0.70 -0.89 116.42 122.14 2ahr h ASP 247 Ca 0.09 0.07 -0.09 0.00 -0.62 0.00 0.00 57.03 56.47 2ahr h ASP 247 Cb 0.40 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 2ahr h ASP 247 CO 0.01 0.27 -0.06 0.11 -3.12 0.00 0.00 179.24 176.45 2ahr h LYS 248 N 0.64 0.88 -0.66 3.56 1.79 -0.79 0.12 116.57 122.10 2ahr h LYS 248 Ca 0.38 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2ahr h LYS 248 Cb 0.43 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 2ahr h LYS 248 CO -0.29 0.92 0.43 1.15 -1.08 0.00 0.00 179.45 180.58 2ahr h THR 249 N 0.80 1.17 -0.15 -0.16 2.02 -0.40 -1.86 112.91 114.33 2ahr h THR 249 Ca 0.14 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 2ahr h THR 249 Cb 0.57 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2ahr h THR 249 CO 0.03 0.17 -0.13 0.40 0.37 0.00 0.00 175.52 176.36 2ahr h ILE 250 N 0.89 1.34 -0.91 3.11 2.04 -0.82 -1.47 117.51 121.68 2ahr h ILE 250 Ca 0.24 -1.27 0.19 0.00 1.00 0.00 0.00 64.86 65.02 2ahr h ILE 250 Cb -0.09 1.84 -0.11 0.00 -0.74 0.00 0.00 36.82 37.72 2ahr h ILE 250 CO -0.05 0.37 0.48 0.44 0.00 0.00 0.00 178.15 179.40 2ahr h ASP 251 N -0.00 0.55 -0.15 1.72 3.32 -0.66 0.63 116.42 121.83 2ahr h ASP 251 Ca 0.03 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 2ahr h ASP 251 Cb 0.65 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2ahr h ASP 251 CO 0.03 0.16 -0.29 0.50 -1.72 0.00 0.00 179.24 177.93 2ahr h LYS 252 N 0.59 0.46 -0.24 3.56 1.63 -1.13 -1.43 116.57 120.02 2ahr h LYS 252 Ca 0.54 -0.30 0.06 0.00 -0.85 0.00 0.00 60.65 60.10 2ahr h LYS 252 Cb 0.88 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.48 2ahr h LYS 252 CO -0.42 0.90 -0.22 0.00 -3.45 0.00 0.00 179.45 176.25 2ahr h ALA 253 N 0.56 -0.10 -0.60 5.00 0.00 -0.89 -1.16 119.26 122.08 2ahr h ALA 253 Ca 0.01 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.11 2ahr h ALA 253 Cb 0.88 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 2ahr h ALA 253 CO 0.06 -0.65 0.10 0.87 0.00 0.00 0.00 179.25 179.63 2ahr h LYS 254 N -0.23 0.21 0.00 0.00 1.57 -0.76 -2.53 116.57 114.83 2ahr h LYS 254 Ca 0.13 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2ahr h LYS 254 Cb 0.43 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 2ahr h LYS 254 CO -0.37 0.14 -0.14 0.66 -0.57 0.00 0.00 179.45 179.17 2ahr h SER 255 N 0.22 0.00 0.00 0.86 4.64 -0.67 -3.50 113.55 115.10 2ahr h SER 255 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2ahr h SER 255 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2ahr h SER 255 CO -0.43 0.14 0.00 0.18 -0.87 0.00 0.00 176.83 175.85