#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahr s ALA 0 N 0.00 4.29 -0.06 -2.53 0.00 -1.26 -5.02 121.76 117.18 2ahr s ALA 0 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2ahr s ALA 0 Cb 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.77 2ahr s ALA 0 CO 0.00 -0.24 -0.06 0.21 0.00 0.00 0.00 175.76 175.67 2ahr s LYS 2 N -4.09 1.07 -0.12 0.00 2.20 -1.26 -4.97 119.74 112.57 2ahr s LYS 2 Ca 0.20 -0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 2ahr s LYS 2 Cb -0.00 -1.07 -0.01 0.00 -1.51 0.00 0.00 37.83 35.24 2ahr s LYS 2 CO 0.12 -0.11 -0.16 0.42 -0.36 0.00 0.00 175.35 175.26 2ahr s ILE 3 N 1.10 2.78 -0.02 5.43 1.01 0.99 -0.89 121.20 131.60 2ahr s ILE 3 Ca -0.08 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2ahr s ILE 3 Cb -0.14 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2ahr s ILE 3 CO -0.01 0.54 -0.07 -0.83 0.00 0.00 0.00 174.94 174.57 2ahr s GLY 4 N 0.26 1.74 -0.19 6.18 0.00 -0.02 -1.74 107.32 113.55 2ahr s GLY 4 Ca -0.11 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.63 2ahr s GLY 4 CO 0.06 -0.83 -0.13 -0.42 0.00 0.00 0.00 173.10 171.78 2ahr s ILE 5 N -0.95 1.79 -0.31 0.90 1.01 0.06 -0.47 121.20 123.24 2ahr s ILE 5 Ca 0.16 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 2ahr s ILE 5 Cb -0.11 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 2ahr s ILE 5 CO 0.06 0.28 0.18 -0.63 0.00 0.00 0.00 174.94 174.82 2ahr s ILE 6 N 1.35 4.91 0.00 2.92 1.01 -0.46 -0.97 121.20 129.95 2ahr s ILE 6 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.43 2ahr s ILE 6 Cb -0.15 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2ahr s ILE 6 CO -0.09 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2ahr n GLY 7 N 5.03 -2.85 2.70 6.18 0.00 -0.24 -0.31 105.19 115.70 2ahr n GLY 7 Ca -0.14 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 1.20 0.00 1.61 1.01 -1.26 -3.30 120.40 119.66 2ahr s VAL 8 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 59.75 2ahr s VAL 8 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2ahr s VAL 8 CO 0.00 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.86 2ahr n GLY 9 N 3.88 2.92 0.09 4.51 0.00 -1.26 -4.80 105.19 110.52 2ahr n GLY 9 Ca 0.07 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 0.08 0.00 1.61 4.01 -1.26 -1.45 118.16 121.15 2ahr n LYS 10 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2ahr n LYS 10 Cb 0.00 -1.01 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 2ahr n LYS 10 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ahr n ALA 12 N -0.33 0.00 -0.05 7.82 0.00 -1.26 -1.82 120.51 124.88 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 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.81 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 0.57 0.27 0.00 0.02 -1.56 -2.70 113.55 110.15 2ahr h SER 13 Ca 0.00 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 2ahr h SER 13 Cb 0.00 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2ahr h SER 13 CO 0.00 0.46 -0.28 0.00 -1.14 0.00 0.00 176.83 175.87 2ahr h ALA 14 N 1.64 1.52 0.00 3.77 0.00 -1.60 -3.02 119.26 121.57 2ahr h ALA 14 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ahr h ALA 14 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ahr h ALA 14 CO -0.03 0.36 -0.48 0.44 0.00 0.00 0.00 179.25 179.54 2ahr n ILE 15 N -4.20 0.18 -0.16 0.00 -5.35 -1.02 -3.63 119.36 105.17 2ahr n ILE 15 Ca -0.02 -0.13 -0.05 0.00 -0.27 0.00 0.00 62.75 62.28 2ahr n ILE 15 Cb 0.33 -0.03 0.04 0.00 -1.74 0.00 0.00 39.64 38.24 2ahr n ILE 15 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2ahr h ILE 16 N 0.00 1.01 -0.69 7.28 1.08 -1.50 -1.34 117.51 123.35 2ahr h ILE 16 Ca 0.00 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.36 2ahr h ILE 16 Cb 0.62 0.42 -0.07 0.00 -3.07 0.00 0.00 36.82 34.72 2ahr h ILE 16 CO 0.00 0.10 0.35 0.11 -0.69 0.00 0.00 178.15 178.02 2ahr h LYS 17 N 0.54 0.60 -0.27 2.37 1.79 -1.73 0.30 116.57 120.17 2ahr h LYS 17 Ca 0.20 -0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.48 2ahr h LYS 17 Cb 0.06 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 2ahr h LYS 17 CO -0.12 0.40 -0.46 0.78 -1.08 0.00 0.00 179.45 178.97 2ahr h GLY 18 N 0.62 0.77 1.95 3.86 0.00 -1.70 -3.04 103.07 105.54 2ahr h GLY 18 Ca 0.33 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 2ahr h GLY 18 CO -0.24 0.75 -0.15 1.41 0.00 0.00 0.00 176.54 178.31 2ahr h LEU 19 N 0.56 0.06 -1.03 3.11 3.38 0.10 -2.47 115.31 119.02 2ahr h LEU 19 Ca 0.03 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2ahr h LEU 19 Cb 1.02 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2ahr h LEU 19 CO 0.10 0.22 -0.47 0.11 0.09 0.00 0.00 178.44 178.49 2ahr h LYS 20 N 0.06 0.00 0.00 1.13 1.57 -0.37 -2.58 116.57 116.38 2ahr h LYS 20 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2ahr h LYS 20 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2ahr h LYS 20 CO 0.02 0.47 0.00 1.04 -0.57 0.00 0.00 179.45 180.41 2ahr n GLN 21 N -3.89 0.44 -3.03 3.15 6.02 -0.93 -4.79 117.38 114.35 2ahr n GLN 21 Ca -0.01 0.06 -0.26 0.00 -0.01 0.00 0.00 57.00 56.77 2ahr n GLN 21 Cb 0.50 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.25 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 -2.38 5.00 0.07 5.09 -4.23 -0.97 -5.00 115.64 113.22 2ahr s THR 22 Ca 0.25 -0.06 0.31 0.00 -1.18 0.00 0.00 61.69 61.00 2ahr s THR 22 Cb 0.15 -3.84 0.32 0.00 1.34 0.00 0.00 72.50 70.47 2ahr s THR 22 CO 0.30 -0.65 1.94 -0.65 -0.54 0.00 0.00 174.62 175.03 2ahr h PRO 23 N 0.67 0.00 -7.14 3.99 0.11 -1.86 -3.46 132.00 124.30 2ahr h PRO 23 Ca -0.48 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.15 2ahr h PRO 23 Cb 1.21 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.36 2ahr h PRO 23 CO 0.62 0.00 0.38 -1.01 -0.21 0.00 0.00 178.00 177.78 2ahr s HIS 24 N -3.72 3.07 0.13 0.65 3.76 -1.26 -4.97 115.29 112.94 2ahr s HIS 24 Ca -0.02 1.53 -0.14 0.00 -0.15 0.00 0.00 55.06 56.29 2ahr s HIS 24 Cb 0.09 -3.00 -0.07 0.00 1.11 0.00 0.00 32.58 30.72 2ahr s HIS 24 CO 0.35 -0.87 0.52 -2.00 -0.85 0.00 0.00 174.74 171.89 2ahr s GLU 25 N -3.72 3.95 0.07 1.40 2.12 -1.26 -4.95 118.70 116.31 2ahr s GLU 25 Ca 0.64 0.44 0.06 0.00 0.36 0.00 0.00 54.97 56.48 2ahr s GLU 25 Cb -0.15 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 2ahr s GLU 25 CO 0.29 0.50 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.83 2ahr s LEU 26 N -1.91 2.26 0.02 2.70 1.43 -1.26 -0.01 118.68 121.90 2ahr s LEU 26 Ca 0.37 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 2ahr s LEU 26 Cb -0.15 -0.70 0.02 0.00 0.03 0.00 0.00 46.19 45.39 2ahr s LEU 26 CO 0.19 0.01 0.29 -0.51 0.23 0.00 0.00 176.35 176.56 2ahr s ILE 27 N -1.12 0.07 0.23 -0.59 2.07 -0.71 -4.16 121.20 116.99 2ahr s ILE 27 Ca 0.02 -0.61 0.04 0.00 -1.41 0.00 0.00 60.65 58.69 2ahr s ILE 27 Cb -0.10 -0.79 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 2ahr s ILE 27 CO 0.03 -0.34 -0.03 0.27 -1.91 0.00 0.00 174.94 172.96 2ahr s ILE 28 N -2.03 1.15 -0.23 2.00 -5.25 -0.61 -0.76 121.20 115.47 2ahr s ILE 28 Ca -0.09 -2.05 -0.09 0.00 -0.99 0.00 0.00 60.65 57.43 2ahr s ILE 28 Cb -0.03 -2.28 0.09 0.00 2.95 0.00 0.00 42.46 43.19 2ahr s ILE 28 CO -0.00 -0.38 0.50 -0.55 -1.79 0.00 0.00 174.94 172.71 2ahr s SER 29 N -3.31 -0.58 0.00 4.36 0.15 -0.15 -1.07 113.70 113.11 2ahr s SER 29 Ca 0.27 1.17 0.00 0.00 0.70 0.00 0.00 55.95 58.08 2ahr s SER 29 Cb 0.05 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 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 5.09 1.71 0.12 9.45 0.00 -1.26 -1.07 105.19 119.23 2ahr n GLY 30 Ca -0.13 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.06 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 0.00 0.39 -3.59 1.61 3.41 -1.26 -4.77 113.62 109.41 2ahr n SER 31 Ca 0.00 -1.07 -0.05 0.00 -0.26 0.00 0.00 58.87 57.48 2ahr n SER 31 Cb 0.00 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.04 -0.24 0.24 4.04 1.04 -1.26 -4.99 113.70 110.49 2ahr s SER 32 Ca 0.44 -0.11 -0.05 0.00 0.48 0.00 0.00 55.95 56.71 2ahr s SER 32 Cb 0.22 0.34 0.27 0.00 0.10 0.00 0.00 66.02 66.94 2ahr s SER 32 CO 0.37 -0.58 1.80 0.25 0.98 0.00 0.00 173.24 176.06 2ahr h LEU 33 N 2.00 0.96 -0.74 2.42 5.85 -1.95 -0.44 115.31 123.41 2ahr h LEU 33 Ca -0.21 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.39 2ahr h LEU 33 Cb 1.22 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 2ahr h LEU 33 CO 0.28 0.88 0.46 -0.08 -0.34 0.00 0.00 178.44 179.64 2ahr h GLU 34 N 1.01 0.86 -0.20 1.25 4.81 -1.99 -2.74 114.58 117.58 2ahr h GLU 34 Ca 0.23 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 2ahr h GLU 34 Cb 0.25 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2ahr h GLU 34 CO -0.01 0.57 -0.60 0.00 -0.73 0.00 0.00 179.01 178.23 2ahr h ARG 35 N 0.89 0.66 -0.55 1.92 2.47 -1.83 -2.94 114.38 115.00 2ahr h ARG 35 Ca 0.30 -0.45 0.09 0.00 -1.26 0.00 0.00 59.98 58.66 2ahr h ARG 35 Cb 0.05 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 28.37 2ahr h ARG 35 CO -0.12 1.07 0.18 0.77 0.56 0.00 0.00 179.97 182.42 2ahr h SER 36 N 0.50 0.15 -0.27 7.04 0.02 -0.84 -1.61 113.55 118.54 2ahr h SER 36 Ca -0.00 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 2ahr h SER 36 Cb 1.18 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2ahr h SER 36 CO 0.12 0.10 -0.21 0.07 -1.14 0.00 0.00 176.83 175.77 2ahr h LYS 37 N 0.34 0.73 -0.70 3.45 5.09 -1.46 -0.21 116.57 123.82 2ahr h LYS 37 Ca 0.28 -0.29 -0.07 0.00 0.09 0.00 0.00 60.65 60.66 2ahr h LYS 37 Cb 0.34 -0.04 -0.03 0.00 0.10 0.00 0.00 32.23 32.60 2ahr h LYS 37 CO -0.30 0.89 0.17 0.93 -2.09 0.00 0.00 179.45 179.04 2ahr h GLU 38 N 0.64 1.11 -0.14 0.07 5.08 -1.29 -0.34 114.58 119.72 2ahr h GLU 38 Ca 0.09 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 2ahr h GLU 38 Cb 0.71 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2ahr h GLU 38 CO 0.05 0.98 -0.37 0.82 -1.00 0.00 0.00 179.01 179.49 2ahr h ILE 39 N 1.05 1.36 -0.87 3.13 2.04 -1.14 -2.10 117.51 120.98 2ahr h ILE 39 Ca 0.22 -1.66 0.05 0.00 1.00 0.00 0.00 64.86 64.47 2ahr h ILE 39 Cb 0.37 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.45 2ahr h ILE 39 CO 0.00 0.50 0.55 0.00 0.00 0.00 0.00 178.15 179.21 2ahr h ALA 40 N 0.53 1.18 0.04 1.87 0.00 -0.94 0.44 119.26 122.37 2ahr h ALA 40 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2ahr h ALA 40 Cb 0.99 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2ahr h ALA 40 CO 0.08 0.35 -0.15 1.49 0.00 0.00 0.00 179.25 181.02 2ahr h GLU 41 N 1.04 -0.26 -0.11 0.00 4.22 -1.00 0.66 114.58 119.13 2ahr h GLU 41 Ca 0.36 0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.74 2ahr h GLU 41 Cb 0.08 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2ahr h GLU 41 CO -0.14 -0.17 -0.28 1.96 -2.18 0.00 0.00 179.01 178.19 2ahr h GLN 42 N -0.27 0.21 -0.01 1.92 1.08 -0.74 -3.24 115.11 114.05 2ahr h GLN 42 Ca 0.04 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2ahr h GLN 42 Cb 0.32 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2ahr h GLN 42 CO -0.12 0.48 -0.45 1.28 -0.95 0.00 0.00 178.83 179.07 2ahr n LEU 43 N -4.14 1.55 -3.45 1.46 4.32 0.09 -5.00 117.00 111.83 2ahr n LEU 43 Ca -0.01 -0.71 -0.20 0.00 -0.02 0.00 0.00 56.01 55.06 2ahr n LEU 43 Cb 0.38 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.22 2ahr n LEU 43 CO 0.40 0.30 0.02 0.00 -1.22 0.00 0.00 177.39 176.90 2ahr n ALA 44 N -0.34 -2.55 -3.16 -1.18 0.00 0.20 -5.04 120.51 108.44 2ahr n ALA 44 Ca 0.07 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 2ahr n ALA 44 Cb 0.35 -3.82 -0.10 0.00 0.00 0.00 0.00 19.45 15.88 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 -5.55 1.18 0.60 0.00 1.43 -1.07 -5.08 118.68 110.19 2ahr s LEU 45 Ca 0.34 0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 2ahr s LEU 45 Cb -0.09 0.93 -0.03 0.00 0.03 0.00 0.00 46.19 47.03 2ahr s LEU 45 CO 0.81 -0.33 1.31 -2.84 0.23 0.00 0.00 176.35 175.52 2ahr s PRO 46 N -1.02 2.85 0.14 1.29 0.02 -1.26 -4.54 135.00 132.48 2ahr s PRO 46 Ca -0.11 2.10 0.10 0.00 0.02 0.00 0.00 61.00 63.11 2ahr s PRO 46 Cb -0.05 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 2ahr s PRO 46 CO 0.02 -1.38 -0.23 1.52 -0.33 0.00 0.00 177.00 176.61 2ahr s TYR 47 N -1.38 2.40 0.00 6.54 -0.85 -1.26 -1.58 117.35 121.21 2ahr s TYR 47 Ca 0.78 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.99 2ahr s TYR 47 Cb -0.38 -1.26 0.00 0.00 0.38 0.00 0.00 41.96 40.71 2ahr s TYR 47 CO 0.42 0.40 0.00 0.00 -1.52 0.00 0.00 175.55 174.85 2ahr n ALA 48 N 0.67 0.00 -0.68 9.51 0.00 -0.23 -4.85 120.51 124.93 2ahr n ALA 48 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 2ahr n ALA 48 Cb 0.54 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.25 -0.08 0.00 3.41 -1.26 -4.86 113.62 108.58 2ahr n SER 50 Ca 0.00 -0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.48 2ahr n SER 50 Cb 0.00 -1.03 -0.01 0.00 -0.26 0.00 0.00 64.21 62.90 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 -2.03 0.33 -0.82 7.33 3.86 -1.95 -0.11 115.15 121.76 2ahr h HIS 51 Ca -0.52 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 58.67 2ahr h HIS 51 Cb 1.34 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.67 2ahr h HIS 51 CO 0.21 0.20 0.41 0.37 0.86 0.00 0.00 177.93 179.98 2ahr h GLN 52 N 0.36 1.17 -0.92 2.45 5.75 -1.98 0.27 115.11 122.22 2ahr h GLN 52 Ca 0.11 -0.16 0.06 0.00 -0.15 0.00 0.00 58.65 58.51 2ahr h GLN 52 Cb -0.02 -0.22 -0.06 0.00 1.07 0.00 0.00 27.48 28.25 2ahr h GLN 52 CO -0.04 0.89 0.58 0.22 -2.65 0.00 0.00 178.83 177.83 2ahr h ASP 53 N 1.17 0.94 0.19 -0.69 3.58 -1.89 0.10 116.42 119.82 2ahr h ASP 53 Ca 0.29 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 2ahr h ASP 53 Cb 0.09 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2ahr h ASP 53 CO -0.04 0.61 -0.09 0.25 -2.88 0.00 0.00 179.24 177.09 2ahr h LEU 54 N 1.08 -0.21 -0.86 2.28 5.85 0.03 -3.21 115.31 120.27 2ahr h LEU 54 Ca 0.39 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 59.07 2ahr h LEU 54 Cb 0.13 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 2ahr h LEU 54 CO -0.16 0.03 0.50 0.40 -0.34 0.00 0.00 178.44 178.87 2ahr h ILE 55 N -0.46 0.89 0.00 4.05 2.04 0.02 -2.39 117.51 121.66 2ahr h ILE 55 Ca -0.03 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2ahr h ILE 55 Cb 0.35 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2ahr h ILE 55 CO 0.04 0.15 -0.07 0.44 0.00 0.00 0.00 178.15 178.71 2ahr h ASP 56 N 0.81 0.00 -0.10 1.72 3.32 -0.81 -3.11 116.42 118.25 2ahr h ASP 56 Ca 0.42 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 2ahr h ASP 56 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2ahr h ASP 56 CO -0.27 0.07 -0.08 0.00 -1.72 0.00 0.00 179.24 177.25 2ahr n GLN 57 N -3.48 1.78 -4.15 3.56 10.64 -0.90 -5.04 117.38 119.79 2ahr n GLN 57 Ca -0.02 -2.80 -0.15 0.00 -1.83 0.00 0.00 57.00 52.19 2ahr n GLN 57 Cb 0.21 -1.63 -0.14 0.00 -0.86 0.00 0.00 30.24 27.82 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 -2.95 0.45 -0.13 -0.39 0.11 -1.18 -4.94 120.40 111.37 2ahr s VAL 58 Ca 0.37 -0.41 0.15 0.00 -2.93 0.00 0.00 61.98 59.15 2ahr s VAL 58 Cb 0.32 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.74 2ahr s VAL 58 CO 0.03 0.01 1.24 0.44 -3.33 0.00 0.00 175.10 173.49 2ahr h ASP 59 N 5.69 0.00 -3.80 3.54 3.32 -1.35 -3.47 116.42 120.36 2ahr h ASP 59 Ca -0.30 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.61 2ahr h ASP 59 Cb 1.19 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.49 2ahr h ASP 59 CO 0.48 0.55 -0.34 -0.22 -1.72 0.00 0.00 179.24 177.99 2ahr s LEU 60 N -6.25 0.70 -0.14 1.55 2.96 -1.10 -4.25 118.68 112.15 2ahr s LEU 60 Ca 0.02 0.66 -0.02 0.00 -0.22 0.00 0.00 54.13 54.57 2ahr s LEU 60 Cb 0.08 1.11 -0.02 0.00 0.50 0.00 0.00 46.19 47.86 2ahr s LEU 60 CO 0.77 -0.12 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.91 2ahr s VAL 61 N 0.28 3.53 -0.18 1.68 1.01 -0.92 -0.84 120.40 124.97 2ahr s VAL 61 Ca -0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 2ahr s VAL 61 Cb -0.03 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2ahr s VAL 61 CO -0.01 0.51 -0.01 -0.63 0.00 0.00 0.00 175.10 174.96 2ahr s ILE 62 N 0.28 3.99 -0.26 2.22 1.01 0.38 -0.37 121.20 128.45 2ahr s ILE 62 Ca -0.06 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 2ahr s ILE 62 Cb -0.15 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2ahr s ILE 62 CO 0.04 0.46 0.39 -0.76 0.00 0.00 0.00 174.94 175.07 2ahr s LEU 63 N 0.63 4.06 -0.05 2.97 1.43 0.67 -1.36 118.68 127.02 2ahr s LEU 63 Ca -0.01 0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.52 2ahr s LEU 63 Cb -0.14 -2.46 0.24 0.00 0.03 0.00 0.00 46.19 43.86 2ahr s LEU 63 CO 0.02 -0.18 1.18 0.61 0.23 0.00 0.00 176.35 178.22 2ahr n GLY 64 N 4.55 3.39 3.86 -3.19 0.00 0.57 -4.61 105.19 109.77 2ahr n GLY 64 Ca -0.08 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.61 3.92 0.59 -0.61 -4.36 -1.21 -4.40 121.20 113.53 2ahr s ILE 65 Ca 0.20 0.62 -0.18 0.00 -0.26 0.00 0.00 60.65 61.03 2ahr s ILE 65 Cb 0.14 -3.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.27 2ahr s ILE 65 CO 0.07 -0.81 1.17 -0.54 0.24 0.00 0.00 174.94 175.07 2ahr s LYS 66 N -5.23 3.02 0.31 0.37 1.02 -1.26 -4.78 119.74 113.19 2ahr s LYS 66 Ca 0.57 1.70 0.01 0.00 0.02 0.00 0.00 55.97 58.27 2ahr s LYS 66 Cb -0.12 -1.95 0.55 0.00 -0.52 0.00 0.00 37.83 35.79 2ahr s LYS 66 CO 0.53 -1.13 1.93 -1.00 -0.92 0.00 0.00 175.35 174.76 2ahr h PRO 67 N 0.81 0.97 -0.01 -1.68 0.13 -1.96 -2.11 132.00 128.14 2ahr h PRO 67 Ca -0.50 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2ahr h PRO 67 Cb 1.28 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2ahr h PRO 67 CO 0.55 0.64 0.12 1.96 -0.23 0.00 0.00 178.00 181.05 2ahr h GLN 68 N 1.00 0.00 -0.01 0.86 7.50 -1.94 -2.59 115.11 119.93 2ahr h GLN 68 Ca 0.36 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.51 2ahr h GLN 68 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.69 2ahr h GLN 68 CO -0.13 0.00 -0.61 1.28 -1.50 0.00 0.00 178.83 177.87 2ahr n LEU 69 N -3.10 1.60 -0.04 1.46 4.77 -0.79 -4.69 117.00 116.21 2ahr n LEU 69 Ca -0.02 -0.67 -0.11 0.00 -0.03 0.00 0.00 56.01 55.17 2ahr n LEU 69 Cb 0.19 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2ahr n LEU 69 CO 0.19 0.32 0.60 -0.26 -1.33 0.00 0.00 177.39 176.91 2ahr h PHE 70 N 1.52 -1.11 0.02 -1.77 -1.00 -1.50 -0.97 116.94 112.13 2ahr h PHE 70 Ca 0.00 0.05 0.03 0.00 2.81 0.00 0.00 57.97 60.86 2ahr h PHE 70 Cb 0.63 0.52 -0.04 0.00 3.61 0.00 0.00 35.95 40.66 2ahr h PHE 70 CO 0.00 -0.44 -0.25 1.49 -1.61 0.00 0.00 178.31 177.50 2ahr h GLU 71 N -0.42 -0.39 -0.73 1.51 4.81 -1.84 0.13 114.58 117.67 2ahr h GLU 71 Ca 0.10 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2ahr h GLU 71 Cb 0.59 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 2ahr h GLU 71 CO -0.43 -0.26 0.45 1.15 -0.73 0.00 0.00 179.01 179.19 2ahr h THR 72 N -0.40 1.20 0.17 0.32 2.02 -1.83 -2.96 112.91 111.43 2ahr h THR 72 Ca 0.06 -0.42 -0.33 0.00 0.77 0.00 0.00 66.41 66.48 2ahr h THR 72 Cb 0.47 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2ahr h THR 72 CO -0.21 0.21 -1.62 0.58 0.37 0.00 0.00 175.52 174.85 2ahr h VAL 73 N 0.99 1.08 0.02 3.16 2.07 -0.99 -3.40 116.25 119.18 2ahr h VAL 73 Ca 0.26 -2.65 -0.29 0.00 0.82 0.00 0.00 66.70 64.84 2ahr h VAL 73 Cb -0.06 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 2ahr h VAL 73 CO -0.05 0.84 -1.62 -0.07 0.02 0.00 0.00 177.57 176.69 2ahr h LEU 74 N 0.10 0.06 -0.12 2.57 3.38 -0.79 -3.40 115.31 117.11 2ahr h LEU 74 Ca -0.29 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.58 2ahr h LEU 74 Cb 2.08 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 2ahr h LEU 74 CO 0.19 1.10 0.01 0.11 0.09 0.00 0.00 178.44 179.94 2ahr h LYS 75 N 0.01 0.05 0.00 1.13 1.57 -1.67 -2.63 116.57 115.03 2ahr h LYS 75 Ca -0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2ahr h LYS 75 Cb 1.98 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.28 2ahr h LYS 75 CO 0.09 0.03 0.00 -2.30 -0.57 0.00 0.00 179.45 176.71 2ahr n PRO 76 N -5.10 0.14 -3.01 3.15 -0.02 -1.26 -4.78 135.00 124.11 2ahr n PRO 76 Ca -0.04 0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 61.86 2ahr n PRO 76 Cb 0.07 -1.97 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 2ahr n PRO 76 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ahr s LEU 77 N -4.53 3.64 -0.31 2.45 1.43 -0.99 -5.08 118.68 115.28 2ahr s LEU 77 Ca -0.02 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2ahr s LEU 77 Cb 0.06 -3.03 0.09 0.00 0.03 0.00 0.00 46.19 43.34 2ahr s LEU 77 CO 0.20 -0.73 0.04 -1.00 0.23 0.00 0.00 176.35 175.09 2ahr s HIS 78 N -2.52 2.99 0.29 0.29 3.76 -1.26 -5.04 115.29 113.80 2ahr s HIS 78 Ca 0.49 -2.46 -0.14 0.00 -0.15 0.00 0.00 55.06 52.80 2ahr s HIS 78 Cb -0.10 -2.37 -0.09 0.00 1.11 0.00 0.00 32.58 31.14 2ahr s HIS 78 CO 0.37 -0.90 0.70 -0.06 -0.85 0.00 0.00 174.74 173.99 2ahr s PHE 79 N 1.18 3.42 0.00 1.40 0.40 -1.26 -4.92 117.98 118.19 2ahr s PHE 79 Ca 0.08 1.17 0.00 0.00 -0.60 0.00 0.00 56.93 57.57 2ahr s PHE 79 Cb -0.19 -2.49 0.00 0.00 0.51 0.00 0.00 43.02 40.86 2ahr s PHE 79 CO -0.13 0.16 0.94 1.63 0.70 0.00 0.00 175.22 178.53 2ahr n LYS 80 N -0.18 0.00 -3.71 0.44 5.02 -1.26 -5.07 118.16 113.40 2ahr n LYS 80 Ca 0.02 -0.91 -0.06 0.00 -2.02 0.00 0.00 58.31 55.34 2ahr n LYS 80 Cb 0.53 -0.46 -0.02 0.00 -0.02 0.00 0.00 35.03 35.06 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 0.00 1.31 0.56 1.97 0.00 -1.26 -5.08 119.66 117.16 2ahr s GLN 81 Ca 0.00 -0.67 -0.20 0.00 -0.00 0.00 0.00 55.36 54.49 2ahr s GLN 81 Cb 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 33.01 33.43 2ahr s GLN 81 CO 0.00 -0.60 1.03 -2.30 0.00 0.00 0.00 175.29 173.43 2ahr n PRO 82 N -0.42 1.11 -4.67 9.60 -0.02 -1.26 -4.80 135.00 134.53 2ahr n PRO 82 Ca -0.07 0.42 -0.25 0.00 -2.02 0.00 0.00 63.50 61.58 2ahr n PRO 82 Cb 0.61 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.43 1.23 -0.26 4.25 1.01 -1.02 -2.17 121.20 122.81 2ahr s ILE 83 Ca 0.72 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 2ahr s ILE 83 Cb -0.44 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 2ahr s ILE 83 CO 0.49 0.37 0.07 -0.63 0.00 0.00 0.00 174.94 175.25 2ahr s ILE 84 N 0.35 4.26 0.02 2.92 1.01 0.50 -0.49 121.20 129.76 2ahr s ILE 84 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2ahr s ILE 84 Cb -0.13 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2ahr s ILE 84 CO 0.03 0.29 0.02 -0.24 0.00 0.00 0.00 174.94 175.04 2ahr n SER 85 N 4.92 0.03 0.00 3.58 2.88 -0.32 -0.24 113.62 124.47 2ahr n SER 85 Ca -0.16 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 2ahr n SER 85 Cb 0.51 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 -3.00 -0.35 -1.77 -1.46 0.00 -1.26 -0.73 120.51 111.94 2ahr n ALA 87 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 2ahr n ALA 87 Cb 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.93 3.41 0.00 0.00 0.00 -1.26 -4.16 121.76 118.82 2ahr s ALA 88 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2ahr s ALA 88 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2ahr s ALA 88 CO 0.00 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.05 2ahr n GLY 89 N 0.52 1.46 3.29 0.00 0.00 -1.26 -4.74 105.19 104.46 2ahr n GLY 89 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.25 3.43 0.67 -0.61 1.01 -1.26 -4.71 121.20 116.47 2ahr s ILE 90 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 2ahr s ILE 90 Cb 0.00 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 2ahr s ILE 90 CO 0.00 0.24 1.07 -0.94 0.00 0.00 0.00 174.94 175.31 2ahr s SER 91 N 1.44 5.32 0.27 3.58 1.04 -1.26 -4.82 113.70 119.27 2ahr s SER 91 Ca 0.03 1.79 -0.00 0.00 0.48 0.00 0.00 55.95 58.25 2ahr s SER 91 Cb -0.16 -2.52 0.51 0.00 0.10 0.00 0.00 66.02 63.94 2ahr s SER 91 CO -0.02 -1.48 1.83 -0.07 0.98 0.00 0.00 173.24 174.48 2ahr h LEU 92 N -0.24 0.87 -0.78 2.42 3.38 -1.98 0.95 115.31 119.92 2ahr h LEU 92 Ca -0.45 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2ahr h LEU 92 Cb 1.22 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 2ahr h LEU 92 CO 0.56 0.47 0.44 -0.61 0.09 0.00 0.00 178.44 179.38 2ahr h GLN 93 N 0.95 1.08 -0.25 1.13 4.15 -2.00 -0.08 115.11 120.10 2ahr h GLN 93 Ca 0.47 -0.12 -0.17 0.00 0.77 0.00 0.00 58.65 59.60 2ahr h GLN 93 Cb 0.44 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 2ahr h GLN 93 CO -0.26 0.79 -0.54 -0.09 -1.93 0.00 0.00 178.83 176.80 2ahr h ARG 94 N 1.08 0.73 -0.24 1.69 2.43 -1.74 -2.96 114.38 115.38 2ahr h ARG 94 Ca 0.28 -0.46 0.02 0.00 -0.81 0.00 0.00 59.98 59.01 2ahr h ARG 94 Cb 0.02 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2ahr h ARG 94 CO -0.05 1.08 0.10 1.25 -1.51 0.00 0.00 179.97 180.85 2ahr h LEU 95 N 0.56 0.14 -1.43 3.80 5.85 -0.26 -2.45 115.31 121.53 2ahr h LEU 95 Ca 0.01 0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.93 2ahr h LEU 95 Cb 1.12 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 2ahr h LEU 95 CO 0.11 0.11 0.58 0.00 -0.34 0.00 0.00 178.44 178.90 2ahr h ALA 96 N 1.13 2.06 0.00 1.25 0.00 -1.00 0.19 119.26 122.89 2ahr h ALA 96 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2ahr h ALA 96 Cb 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ahr h ALA 96 CO -0.08 -0.32 -0.04 1.79 0.00 0.00 0.00 179.25 180.59 2ahr h THR 97 N 0.51 0.14 0.00 0.00 1.35 -1.27 0.32 112.91 113.96 2ahr h THR 97 Ca 0.45 -0.49 -0.31 0.00 -0.55 0.00 0.00 66.41 65.52 2ahr h THR 97 Cb 0.98 1.42 -0.05 0.00 -1.73 0.00 0.00 68.15 68.77 2ahr h THR 97 CO -0.19 0.04 -1.84 0.49 -0.25 0.00 0.00 175.52 173.77 2ahr n PHE 98 N -3.20 0.82 0.00 4.73 3.72 0.53 -4.65 117.46 119.41 2ahr n PHE 98 Ca -0.00 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 2ahr n PHE 98 Cb 0.27 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.65 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 -3.00 0.00 0.00 -4.37 0.24 -0.34 -4.11 118.33 106.75 2ahr n VAL 99 Ca -0.20 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 2ahr n VAL 99 Cb 1.07 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 34.42 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 1.04 3.33 0.49 7.63 0.00 0.11 -4.64 105.19 113.15 2ahr n GLY 100 Ca 0.00 -1.79 0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.91 1.68 -0.41 1.61 1.13 -1.25 -3.99 117.38 115.24 2ahr n GLN 101 Ca 0.00 -0.99 0.08 0.00 -1.94 0.00 0.00 57.00 54.15 2ahr n GLN 101 Cb 0.00 -1.47 0.25 0.00 0.11 0.00 0.00 30.24 29.12 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 0.20 3.77 -4.43 1.08 5.75 -1.26 -4.99 116.55 116.67 2ahr n ASP 102 Ca 0.19 -2.88 -0.33 0.00 -0.01 0.00 0.00 54.79 51.76 2ahr n ASP 102 Cb 0.36 -0.50 -0.14 0.00 -1.03 0.00 0.00 41.12 39.81 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 -2.57 2.74 0.11 -2.12 1.43 -1.26 -5.08 118.68 111.94 2ahr s LEU 103 Ca 0.40 -0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 2ahr s LEU 103 Cb 0.31 -1.59 -0.10 0.00 0.03 0.00 0.00 46.19 44.85 2ahr s LEU 103 CO 0.10 0.26 1.74 -2.84 0.23 0.00 0.00 176.35 175.83 2ahr s PRO 104 N -0.21 4.16 -0.03 1.29 0.02 -1.26 -4.81 135.00 134.16 2ahr s PRO 104 Ca 0.01 2.48 0.06 0.00 0.02 0.00 0.00 61.00 63.57 2ahr s PRO 104 Cb -0.13 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.86 2ahr s PRO 104 CO 0.03 -0.78 -0.20 -0.51 -0.33 0.00 0.00 177.00 175.21 2ahr s LEU 105 N 2.44 2.00 0.11 -5.54 1.43 -1.26 -2.44 118.68 115.42 2ahr s LEU 105 Ca 0.77 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 2ahr s LEU 105 Cb -0.44 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2ahr s LEU 105 CO 0.34 0.22 -0.20 -0.76 0.23 0.00 0.00 176.35 176.18 2ahr s LEU 106 N -0.27 2.31 -0.04 1.79 1.02 0.36 -0.76 118.68 123.09 2ahr s LEU 106 Ca 0.03 -0.70 0.05 0.00 0.02 0.00 0.00 54.13 53.53 2ahr s LEU 106 Cb -0.10 -0.85 -0.02 0.00 0.02 0.00 0.00 46.19 45.24 2ahr s LEU 106 CO 0.01 0.04 -0.19 -0.13 0.02 0.00 0.00 176.35 176.09 2ahr s ARG 107 N -1.98 2.35 0.00 1.70 0.52 0.15 -1.18 118.95 120.52 2ahr s ARG 107 Ca 0.07 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 2ahr s ARG 107 Cb -0.10 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.14 2ahr s ARG 107 CO 0.04 0.59 0.00 0.44 0.02 0.00 0.00 175.30 176.39 2ahr n ILE 108 N 2.39 0.00 -3.99 1.52 -5.35 0.09 -1.55 119.36 112.47 2ahr n ILE 108 Ca -0.17 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.34 2ahr n ILE 108 Cb 0.52 0.00 0.01 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 0.06 0.00 6.28 -0.04 -1.26 -4.43 135.00 135.61 2ahr n PRO 110 Ca 0.00 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 2ahr n PRO 110 Cb 0.00 0.72 0.00 0.00 -0.04 0.00 0.00 33.50 34.18 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 -0.69 0.00 0.00 3.54 2.04 -1.26 -4.37 115.26 114.52 2ahr n ASN 111 Ca 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.18 2ahr n ASN 111 Cb 0.36 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.61 2ahr n ASN 111 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2ahr n ASN 113 N 0.00 0.00 0.14 0.53 3.02 -1.26 -4.66 115.26 113.03 2ahr n ASN 113 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.73 2ahr n ASN 113 Cb 0.00 -0.79 0.77 0.00 -0.61 0.00 0.00 39.78 39.15 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 2.02 -0.63 5.41 0.00 -1.83 0.70 119.26 124.93 2ahr h ALA 114 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.05 2ahr h ALA 114 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2ahr h ALA 114 CO 0.00 -0.43 0.44 1.96 0.00 0.00 0.00 179.25 181.22 2ahr h GLN 115 N 0.00 0.21 -0.15 0.00 4.20 -1.83 -0.86 115.11 116.68 2ahr h GLN 115 Ca 0.14 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2ahr h GLN 115 Cb 0.69 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 2ahr h GLN 115 CO -0.00 0.14 -0.02 0.44 -0.67 0.00 0.00 178.83 178.72 2ahr n ILE 116 N -4.43 2.15 -3.22 2.54 -5.35 -0.57 -4.98 119.36 105.50 2ahr n ILE 116 Ca 0.12 -2.15 -0.21 0.00 -0.27 0.00 0.00 62.75 60.23 2ahr n ILE 116 Cb 0.55 -0.25 0.05 0.00 -1.74 0.00 0.00 39.64 38.25 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 -0.95 -2.93 -1.82 7.28 4.77 -0.33 -4.92 117.00 118.10 2ahr n LEU 117 Ca 0.20 -0.37 0.02 0.00 -0.03 0.00 0.00 56.01 55.82 2ahr n LEU 117 Cb 0.80 -2.82 0.05 0.00 -2.33 0.00 0.00 43.42 39.11 2ahr n LEU 117 CO 0.09 0.40 0.07 0.00 -1.33 0.00 0.00 177.39 176.62 2ahr n GLN 118 N -4.20 0.82 -1.72 3.23 6.02 0.13 -3.18 117.38 118.49 2ahr n GLN 118 Ca -0.05 -2.66 -0.37 0.00 -0.01 0.00 0.00 57.00 53.91 2ahr n GLN 118 Cb 0.59 -0.72 0.07 0.00 1.02 0.00 0.00 30.24 31.19 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 -2.71 4.57 -0.49 1.08 0.15 -0.13 -4.66 113.70 111.50 2ahr s SER 119 Ca 0.33 2.60 -0.06 0.00 0.70 0.00 0.00 55.95 59.52 2ahr s SER 119 Cb 0.37 -2.62 0.13 0.00 -1.71 0.00 0.00 66.02 62.19 2ahr s SER 119 CO -0.11 -2.03 0.34 -0.44 1.20 0.00 0.00 173.24 172.20 2ahr s SER 120 N -1.45 5.54 -0.20 5.45 0.01 -1.26 -0.90 113.70 120.89 2ahr s SER 120 Ca 0.82 -2.15 -0.03 0.00 1.31 0.00 0.00 55.95 55.90 2ahr s SER 120 Cb -0.37 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2ahr s SER 120 CO 0.40 -0.59 -0.06 -0.89 0.41 0.00 0.00 173.24 172.51 2ahr s THR 121 N 1.00 3.31 0.42 1.44 2.01 -0.94 -4.44 115.64 118.43 2ahr s THR 121 Ca 0.09 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.34 2ahr s THR 121 Cb -0.23 -2.48 -0.10 0.00 0.01 0.00 0.00 72.50 69.69 2ahr s THR 121 CO -0.03 0.45 0.97 0.00 -0.69 0.00 0.00 174.62 175.32 2ahr s ALA 122 N 1.26 3.04 -0.03 7.40 0.00 -1.26 0.16 121.76 132.33 2ahr s ALA 122 Ca 0.03 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 2ahr s ALA 122 Cb -0.14 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.81 2ahr s ALA 122 CO -0.02 0.03 0.06 -1.17 0.00 0.00 0.00 175.76 174.65 2ahr s LEU 123 N -2.99 1.34 0.07 0.00 2.96 0.03 -4.18 118.68 115.91 2ahr s LEU 123 Ca 0.60 0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 54.45 2ahr s LEU 123 Cb -0.13 0.10 0.04 0.00 0.50 0.00 0.00 46.19 46.70 2ahr s LEU 123 CO 0.17 -0.08 0.42 0.28 -1.32 0.00 0.00 176.35 175.82 2ahr s THR 124 N 0.64 0.06 0.11 3.68 -1.32 -0.60 -2.99 115.64 115.21 2ahr s THR 124 Ca -0.05 -0.48 0.04 0.00 -1.21 0.00 0.00 61.69 60.00 2ahr s THR 124 Cb -0.07 -1.02 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 2ahr s THR 124 CO -0.02 -0.26 -0.11 -0.83 -2.21 0.00 0.00 174.62 171.18 2ahr s GLY 125 N -2.24 0.94 0.69 6.08 0.00 -1.26 -0.67 107.32 110.87 2ahr s GLY 125 Ca -0.03 -1.27 -0.12 0.00 0.00 0.00 0.00 44.72 43.30 2ahr s GLY 125 CO -0.05 -1.35 0.73 1.16 0.00 0.00 0.00 173.10 173.59 2ahr n ASN 126 N 0.40 -0.97 0.31 1.64 0.23 0.06 -4.91 115.26 112.02 2ahr n ASN 126 Ca -0.15 -1.06 0.20 0.00 -0.53 0.00 0.00 54.58 53.04 2ahr n ASN 126 Cb 0.58 -0.62 1.00 0.00 -2.08 0.00 0.00 39.78 38.66 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 -2.22 1.05 -0.00 -2.53 0.00 -1.95 -2.58 119.26 111.03 2ahr h ALA 127 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ahr h ALA 127 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ahr h ALA 127 CO 0.17 0.02 -0.26 1.28 0.00 0.00 0.00 179.25 180.46 2ahr n LEU 128 N -3.18 0.35 -4.67 0.00 4.77 -1.26 -4.84 117.00 108.17 2ahr n LEU 128 Ca -0.02 0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 2ahr n LEU 128 Cb 0.16 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 2ahr n LEU 128 CO 0.24 0.08 0.89 -0.69 -1.33 0.00 0.00 177.39 176.57 2ahr s VAL 129 N -2.89 4.66 0.75 4.08 1.01 -0.97 -4.60 120.40 122.44 2ahr s VAL 129 Ca 0.15 1.97 -0.12 0.00 0.00 0.00 0.00 61.98 63.99 2ahr s VAL 129 Cb 0.18 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 32.34 2ahr s VAL 129 CO 0.60 -0.10 1.12 -0.94 0.00 0.00 0.00 175.10 175.78 2ahr s SER 130 N 1.24 4.99 0.17 3.32 1.04 -1.26 -4.90 113.70 118.28 2ahr s SER 130 Ca 0.47 1.06 -0.19 0.00 0.48 0.00 0.00 55.95 57.77 2ahr s SER 130 Cb -0.17 -1.76 0.08 0.00 0.10 0.00 0.00 66.02 64.27 2ahr s SER 130 CO 0.12 -1.63 1.64 1.56 0.98 0.00 0.00 173.24 175.91 2ahr h GLN 131 N -0.86 -0.12 -0.44 4.02 1.08 -2.00 -2.53 115.11 114.27 2ahr h GLN 131 Ca -0.46 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 56.71 2ahr h GLN 131 Cb 1.28 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.72 2ahr h GLN 131 CO 0.64 -0.08 0.10 1.49 -0.95 0.00 0.00 178.83 180.02 2ahr h GLU 132 N -0.13 0.71 -0.55 1.46 4.81 -1.99 -2.01 114.58 116.88 2ahr h GLU 132 Ca 0.18 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2ahr h GLU 132 Cb 0.41 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2ahr h GLU 132 CO -0.45 0.72 0.34 1.25 -0.73 0.00 0.00 179.01 180.14 2ahr h LEU 133 N 0.58 0.65 -1.07 1.64 5.85 -1.92 -0.93 115.31 120.12 2ahr h LEU 133 Ca 0.14 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2ahr h LEU 133 Cb 0.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2ahr h LEU 133 CO 0.00 0.51 -0.24 -0.61 -0.34 0.00 0.00 178.44 177.76 2ahr h GLN 134 N 0.74 0.37 -0.68 1.25 4.15 -1.30 0.39 115.11 120.02 2ahr h GLN 134 Ca 0.20 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 2ahr h GLN 134 Cb -0.03 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 2ahr h GLN 134 CO -0.04 0.59 0.13 0.00 -1.93 0.00 0.00 178.83 177.58 2ahr h ALA 135 N 1.42 0.90 -0.43 3.38 0.00 -1.07 0.48 119.26 123.95 2ahr h ALA 135 Ca 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2ahr h ALA 135 Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2ahr h ALA 135 CO 0.04 0.66 0.05 0.00 0.00 0.00 0.00 179.25 180.01 2ahr h ARG 136 N 1.05 0.72 -0.66 0.00 3.08 -0.40 -1.97 114.38 116.21 2ahr h ARG 136 Ca 0.21 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 2ahr h ARG 136 Cb 0.43 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2ahr h ARG 136 CO 0.01 0.77 0.08 0.28 -1.07 0.00 0.00 179.97 180.03 2ahr h VAL 137 N 0.58 1.26 -0.65 2.04 2.07 -0.68 -2.64 116.25 118.23 2ahr h VAL 137 Ca 0.13 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.66 2ahr h VAL 137 Cb 0.40 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 2ahr h VAL 137 CO 0.01 0.40 0.30 -0.09 0.02 0.00 0.00 177.57 178.21 2ahr h ARG 138 N 1.03 0.50 -0.82 1.57 2.43 0.15 0.22 114.38 119.47 2ahr h ARG 138 Ca 0.20 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2ahr h ARG 138 Cb 0.48 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 2ahr h ARG 138 CO 0.02 0.33 0.54 -0.44 -1.51 0.00 0.00 179.97 178.91 2ahr h ASP 139 N 0.52 0.84 -0.15 -3.80 3.32 -1.19 0.38 116.42 116.34 2ahr h ASP 139 Ca 0.32 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 2ahr h ASP 139 Cb 0.34 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2ahr h ASP 139 CO -0.27 0.56 0.09 -0.07 -1.72 0.00 0.00 179.24 177.83 2ahr h LEU 140 N 0.96 0.18 -0.33 1.55 4.07 -0.63 -2.85 115.31 118.26 2ahr h LEU 140 Ca 0.34 -0.04 -0.19 0.00 0.08 0.00 0.00 57.88 58.07 2ahr h LEU 140 Cb 0.12 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 2ahr h LEU 140 CO -0.11 0.16 -0.84 0.71 -1.08 0.00 0.00 178.44 177.28 2ahr h THR 141 N 0.18 1.51 0.00 0.22 1.35 -1.03 -2.53 112.91 112.61 2ahr h THR 141 Ca 0.05 -2.62 -0.00 0.00 -0.55 0.00 0.00 66.41 63.29 2ahr h THR 141 Cb 0.01 2.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2ahr h THR 141 CO -0.01 0.76 -0.00 0.44 -0.25 0.00 0.00 175.52 176.46 2ahr h ASP 142 N 0.08 0.00 1.26 5.36 3.32 -0.90 -2.20 116.42 123.35 2ahr h ASP 142 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2ahr h ASP 142 Cb 1.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.01 2ahr h ASP 142 CO 0.12 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.42 2ahr h SER 143 N 0.00 0.00 0.00 6.45 4.64 -1.20 -3.21 113.55 120.23 2ahr h SER 143 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2ahr h SER 143 Cb 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 2ahr h SER 143 CO 0.00 0.00 -0.33 2.22 -0.87 0.00 0.00 176.83 177.85 2ahr n PHE 144 N -2.38 0.00 0.00 4.77 1.16 -0.85 -4.41 117.46 115.75 2ahr n PHE 144 Ca 0.04 -0.83 0.00 0.00 -1.87 0.00 0.00 57.45 54.79 2ahr n PHE 144 Cb 0.37 -0.15 0.00 0.00 -1.61 0.00 0.00 39.48 38.09 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 -0.84 -0.26 3.99 4.97 0.00 -1.07 -0.96 105.19 111.01 2ahr n GLY 145 Ca 0.12 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 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 6.00 -0.06 1.61 0.01 -0.08 -4.30 113.70 112.89 2ahr s SER 146 Ca 0.00 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.15 2ahr s SER 146 Cb 0.00 -1.31 0.01 0.00 0.21 0.00 0.00 66.02 64.93 2ahr s SER 146 CO 0.00 -0.41 -0.15 -0.89 0.41 0.00 0.00 173.24 172.21 2ahr s THR 147 N -2.17 1.29 -0.20 1.44 2.01 -1.26 -2.21 115.64 114.53 2ahr s THR 147 Ca 0.44 -0.60 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 2ahr s THR 147 Cb -0.09 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 2ahr s THR 147 CO 0.31 0.38 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.23 2ahr s PHE 148 N 0.37 2.97 -0.77 4.92 0.08 0.12 -4.95 117.98 120.72 2ahr s PHE 148 Ca -0.10 -0.70 -0.26 0.00 0.12 0.00 0.00 56.93 55.99 2ahr s PHE 148 Cb -0.14 -2.07 0.03 0.00 -0.57 0.00 0.00 43.02 40.28 2ahr s PHE 148 CO 0.03 -0.38 1.33 0.34 -0.10 0.00 0.00 175.22 176.44 2ahr s ASP 149 N 1.15 6.17 0.07 1.36 2.15 -1.26 -0.79 116.67 125.51 2ahr s ASP 149 Ca 0.02 -0.56 0.08 0.00 0.43 0.00 0.00 52.55 52.53 2ahr s ASP 149 Cb -0.15 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.88 2ahr s ASP 149 CO -0.00 -1.82 -0.23 0.27 -0.17 0.00 0.00 175.17 173.22 2ahr s ILE 150 N 5.78 1.87 0.58 4.11 -4.36 -1.16 -4.97 121.20 123.06 2ahr s ILE 150 Ca 0.38 -1.39 -0.17 0.00 -0.26 0.00 0.00 60.65 59.21 2ahr s ILE 150 Cb -0.07 -1.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 2ahr s ILE 150 CO 0.12 0.17 1.07 -0.94 0.24 0.00 0.00 174.94 175.60 2ahr s SER 151 N -1.46 5.77 0.42 4.36 1.04 -1.26 -4.49 113.70 118.07 2ahr s SER 151 Ca 0.09 1.88 0.16 0.00 0.48 0.00 0.00 55.95 58.57 2ahr s SER 151 Cb -0.09 -2.54 0.91 0.00 0.10 0.00 0.00 66.02 64.40 2ahr s SER 151 CO 0.03 -1.17 1.90 -0.08 0.98 0.00 0.00 173.24 174.89 2ahr h GLU 152 N 0.60 0.00 0.00 4.02 4.81 -1.96 -0.10 114.58 121.95 2ahr h GLU 152 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2ahr h GLU 152 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2ahr h GLU 152 CO 0.57 0.28 0.00 1.57 -0.73 0.00 0.00 179.01 180.71 2ahr h LYS 153 N 0.00 0.00 -0.33 1.92 2.10 -2.05 -1.19 116.57 117.02 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 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2ahr h LYS 153 CO 0.04 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.24 2ahr n ASP 154 N -2.47 3.38 -0.07 7.07 8.00 -0.05 -4.65 116.55 127.76 2ahr n ASP 154 Ca -0.01 -1.99 -0.10 0.00 0.71 0.00 0.00 54.79 53.41 2ahr n ASP 154 Cb 0.09 -0.21 0.05 0.00 -0.02 0.00 0.00 41.12 41.04 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 4.48 0.89 -0.53 1.24 -1.00 -1.25 -1.24 116.94 119.53 2ahr h PHE 155 Ca 0.00 -0.25 -0.10 0.00 2.81 0.00 0.00 57.97 60.43 2ahr h PHE 155 Cb 0.99 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.33 2ahr h PHE 155 CO 0.21 1.00 -0.07 -0.44 -1.61 0.00 0.00 178.31 177.40 2ahr h ASP 156 N 0.63 0.97 -0.52 2.17 3.32 -1.82 0.15 116.42 121.33 2ahr h ASP 156 Ca 0.06 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 2ahr h ASP 156 Cb 0.89 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2ahr h ASP 156 CO 0.08 1.08 0.16 0.74 -1.72 0.00 0.00 179.24 179.58 2ahr h THR 157 N 0.85 1.23 -0.72 0.35 2.02 -1.87 -2.75 112.91 112.02 2ahr h THR 157 Ca 0.14 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 2ahr h THR 157 Cb 0.62 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2ahr h THR 157 CO 0.04 0.29 0.37 0.15 0.37 0.00 0.00 175.52 176.74 2ahr h PHE 158 N 0.71 1.02 -0.70 3.16 3.57 -0.90 -1.04 116.94 122.75 2ahr h PHE 158 Ca 0.17 -0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.77 2ahr h PHE 158 Cb 0.28 -0.32 -0.10 0.00 2.79 0.00 0.00 35.95 38.60 2ahr h PHE 158 CO 0.02 0.74 0.18 1.15 -2.23 0.00 0.00 178.31 178.16 2ahr h THR 159 N 1.01 0.57 -0.13 4.41 2.02 -0.53 -0.52 112.91 119.74 2ahr h THR 159 Ca 0.25 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.26 2ahr h THR 159 Cb 0.08 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2ahr h THR 159 CO -0.04 0.05 -0.18 0.00 0.37 0.00 0.00 175.52 175.72 2ahr h ALA 160 N 1.56 0.20 0.00 6.16 0.00 -1.17 0.15 119.26 126.16 2ahr h ALA 160 Ca 0.38 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2ahr h ALA 160 Cb 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2ahr h ALA 160 CO -0.46 0.12 -0.37 -0.07 0.00 0.00 0.00 179.25 178.46 2ahr h LEU 161 N -0.05 0.00 0.00 0.00 3.38 -0.76 -2.84 115.31 115.04 2ahr h LEU 161 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ahr h LEU 161 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2ahr h LEU 161 CO 0.04 0.37 -0.68 0.00 0.09 0.00 0.00 178.44 178.26 2ahr n ALA 162 N -2.39 1.82 -0.08 1.53 0.00 -0.24 -4.47 120.51 116.67 2ahr n ALA 162 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 2ahr n ALA 162 Cb 0.44 0.24 -0.12 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 1.78 0.00 0.00 -1.05 -3.39 103.07 100.42 2ahr h GLY 163 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 2ahr h GLY 163 CO 0.00 0.01 -1.15 1.76 0.00 0.00 0.00 176.54 177.16 2ahr h SER 164 N -0.99 0.07 -0.30 0.19 0.02 -0.92 -3.40 113.55 108.22 2ahr h SER 164 Ca -0.14 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2ahr h SER 164 Cb 1.13 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2ahr h SER 164 CO -0.08 1.07 0.20 0.77 -1.14 0.00 0.00 176.83 177.65 2ahr h SER 165 N 0.01 0.27 -0.95 3.07 4.64 -1.69 -1.77 113.55 117.13 2ahr h SER 165 Ca -0.07 -0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.40 2ahr h SER 165 Cb 1.84 -0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 63.78 2ahr h SER 165 CO 0.13 0.19 0.60 -0.65 -0.87 0.00 0.00 176.83 176.23 2ahr h PRO 166 N 0.31 0.71 -0.68 4.77 0.11 -1.78 0.35 132.00 135.79 2ahr h PRO 166 Ca 0.12 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 2ahr h PRO 166 Cb 0.09 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 2ahr h PRO 166 CO -0.03 0.47 0.34 0.00 -0.21 0.00 0.00 178.00 178.58 2ahr h ALA 167 N 1.60 1.32 -0.16 -0.75 0.00 -1.63 -0.19 119.26 119.44 2ahr h ALA 167 Ca 0.50 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.10 2ahr h ALA 167 Cb 0.80 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ahr h ALA 167 CO -0.26 0.54 -0.64 1.88 0.00 0.00 0.00 179.25 180.76 2ahr h TYR 168 N 0.96 0.77 -0.56 0.00 0.05 -0.77 -1.53 116.97 115.88 2ahr h TYR 168 Ca 0.24 -0.30 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 2ahr h TYR 168 Cb 0.08 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 2ahr h TYR 168 CO 0.01 1.07 0.34 0.82 -1.05 0.00 0.00 178.16 179.35 2ahr h ILE 169 N 0.43 1.17 -0.19 -2.88 2.04 -0.17 -1.96 117.51 115.95 2ahr h ILE 169 Ca -0.01 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.35 2ahr h ILE 169 Cb 1.22 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2ahr h ILE 169 CO 0.12 0.17 -0.38 1.88 0.00 0.00 0.00 178.15 179.95 2ahr h TYR 170 N 0.76 0.50 -0.43 1.37 0.05 -0.93 -1.09 116.97 117.19 2ahr h TYR 170 Ca 0.20 -0.13 -0.08 0.00 0.05 0.00 0.00 58.73 58.77 2ahr h TYR 170 Cb -0.01 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 2ahr h TYR 170 CO -0.02 0.75 -0.07 1.25 -1.05 0.00 0.00 178.16 179.01 2ahr h LEU 171 N 0.36 0.72 0.21 3.88 5.85 -1.11 0.21 115.31 125.42 2ahr h LEU 171 Ca 0.04 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2ahr h LEU 171 Cb 0.83 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2ahr h LEU 171 CO 0.07 0.83 -0.10 0.15 -0.34 0.00 0.00 178.44 179.05 2ahr h PHE 172 N 0.68 -0.26 -0.52 1.25 3.57 -1.15 -0.33 116.94 120.18 2ahr h PHE 172 Ca 0.12 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.71 2ahr h PHE 172 Cb 0.52 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.28 2ahr h PHE 172 CO 0.03 0.02 0.12 0.82 -2.23 0.00 0.00 178.31 177.07 2ahr h ILE 173 N -0.53 0.72 -0.90 1.41 2.04 -1.14 -1.57 117.51 117.53 2ahr h ILE 173 Ca -0.03 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2ahr h ILE 173 Cb 0.39 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 2ahr h ILE 173 CO 0.05 0.05 0.59 -0.08 0.00 0.00 0.00 178.15 178.76 2ahr h GLU 174 N 0.26 1.10 -0.44 2.37 4.57 -0.82 -0.30 114.58 121.32 2ahr h GLU 174 Ca 0.26 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2ahr h GLU 174 Cb 0.35 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2ahr h GLU 174 CO -0.33 0.73 -0.16 0.00 -1.18 0.00 0.00 179.01 178.06 2ahr h ALA 175 N 1.47 0.87 -0.32 2.92 0.00 -0.28 0.52 119.26 124.45 2ahr h ALA 175 Ca 0.36 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2ahr h ALA 175 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2ahr h ALA 175 CO -0.11 0.64 -0.05 -0.07 0.00 0.00 0.00 179.25 179.66 2ahr h LEU 176 N 0.75 0.59 -0.56 0.00 3.38 -0.82 -1.58 115.31 117.08 2ahr h LEU 176 Ca 0.11 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2ahr h LEU 176 Cb 0.68 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2ahr h LEU 176 CO 0.05 0.80 0.25 0.00 0.09 0.00 0.00 178.44 179.63 2ahr h ALA 177 N 0.81 0.72 -0.31 1.53 0.00 -0.84 -1.98 119.26 119.19 2ahr h ALA 177 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2ahr h ALA 177 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2ahr h ALA 177 CO 0.03 0.30 -0.08 0.87 0.00 0.00 0.00 179.25 180.37 2ahr h LYS 178 N 0.75 0.52 -0.57 0.00 1.57 -0.85 -1.50 116.57 116.50 2ahr h LYS 178 Ca 0.19 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2ahr h LYS 178 Cb 0.16 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2ahr h LYS 178 CO -0.02 0.60 0.37 0.00 -0.57 0.00 0.00 179.45 179.84 2ahr h ALA 179 N 1.44 0.72 -0.11 3.86 0.00 -1.09 0.23 119.26 124.30 2ahr h ALA 179 Ca 0.09 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ahr h ALA 179 Cb 0.44 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2ahr h ALA 179 CO 0.02 0.16 -0.32 0.78 0.00 0.00 0.00 179.25 179.90 2ahr h GLY 180 N 0.77 -0.45 0.40 0.00 0.00 -0.90 -1.92 103.07 100.97 2ahr h GLY 180 Ca 0.21 0.39 0.07 0.00 0.00 0.00 0.00 47.33 48.00 2ahr h GLY 180 CO -0.04 -0.22 0.04 -2.08 0.00 0.00 0.00 176.54 174.23 2ahr h VAL 181 N -0.40 0.73 -0.92 4.60 2.07 -1.01 -1.15 116.25 120.16 2ahr h VAL 181 Ca 0.09 -0.05 0.18 0.00 0.82 0.00 0.00 66.70 67.73 2ahr h VAL 181 Cb 0.54 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 2ahr h VAL 181 CO -0.34 0.03 0.59 0.50 0.02 0.00 0.00 177.57 178.37 2ahr h LYS 182 N 0.15 0.58 -0.60 1.57 3.64 -0.66 -0.95 116.57 120.32 2ahr h LYS 182 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2ahr h LYS 182 Cb 0.27 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2ahr h LYS 182 CO -0.31 0.39 0.00 0.09 -2.27 0.00 0.00 179.45 177.35 2ahr n ASN 183 N -4.58 5.47 0.00 4.20 3.02 -0.54 -4.93 115.26 117.90 2ahr n ASN 183 Ca 0.19 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 2ahr n ASN 183 Cb 0.58 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.75 0.61 3.70 7.41 0.00 -0.36 -5.02 105.19 112.28 2ahr n GLY 184 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 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 5.27 0.50 -0.61 1.01 -0.59 -4.97 121.20 119.80 2ahr s ILE 185 Ca 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 60.65 60.57 2ahr s ILE 185 Cb 0.00 -3.41 -0.07 0.00 0.01 0.00 0.00 42.46 38.99 2ahr s ILE 185 CO 0.00 0.43 1.15 -2.65 0.00 0.00 0.00 174.94 173.87 2ahr n PRO 186 N 3.67 1.46 -0.14 2.79 -0.02 -1.26 -2.71 135.00 138.80 2ahr n PRO 186 Ca -0.16 0.54 -0.04 0.00 -2.02 0.00 0.00 63.50 61.82 2ahr n PRO 186 Cb 0.52 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.36 0.11 -0.24 -0.52 1.63 -1.95 0.27 116.57 117.23 2ahr h LYS 187 Ca -0.48 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.32 2ahr h LYS 187 Cb 1.32 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.92 2ahr h LYS 187 CO 0.56 0.07 0.15 0.00 -3.45 0.00 0.00 179.45 176.78 2ahr h ALA 188 N 1.39 0.30 -0.02 5.00 0.00 -1.97 0.66 119.26 124.62 2ahr h ALA 188 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2ahr h ALA 188 Cb 0.32 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ahr h ALA 188 CO -0.37 -0.24 0.01 -0.22 0.00 0.00 0.00 179.25 178.43 2ahr h LYS 189 N 0.30 0.02 -0.76 0.00 1.63 -1.77 -0.71 116.57 115.29 2ahr h LYS 189 Ca 0.09 -0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.98 2ahr h LYS 189 Cb -0.02 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.53 2ahr h LYS 189 CO -0.03 0.08 0.41 0.00 -3.45 0.00 0.00 179.45 176.45 2ahr h ALA 190 N 0.95 1.07 -0.22 5.00 0.00 -0.28 -1.57 119.26 124.20 2ahr h ALA 190 Ca 0.01 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2ahr h ALA 190 Cb 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ahr h ALA 190 CO -0.00 0.02 -0.54 1.25 0.00 0.00 0.00 179.25 179.98 2ahr h LEU 191 N 0.69 0.73 -0.20 0.00 5.85 -0.65 -1.37 115.31 120.36 2ahr h LEU 191 Ca 0.37 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2ahr h LEU 191 Cb 0.36 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2ahr h LEU 191 CO -0.26 1.12 0.12 -0.08 -0.34 0.00 0.00 178.44 179.00 2ahr h GLU 192 N 0.51 0.27 0.12 1.25 4.81 -0.65 -0.62 114.58 120.27 2ahr h GLU 192 Ca 0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ahr h GLU 192 Cb 1.10 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 2ahr h GLU 192 CO 0.11 0.23 -0.07 0.82 -0.73 0.00 0.00 179.01 179.37 2ahr h ILE 193 N 0.23 0.86 -0.18 2.32 2.04 -1.18 -2.38 117.51 119.22 2ahr h ILE 193 Ca 0.07 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.77 2ahr h ILE 193 Cb 0.03 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2ahr h ILE 193 CO -0.01 0.00 -0.56 -0.37 0.00 0.00 0.00 178.15 177.20 2ahr h VAL 194 N -0.18 1.32 -0.72 1.67 -1.51 -1.17 -1.54 116.25 114.12 2ahr h VAL 194 Ca -0.01 -1.82 -0.06 0.00 -1.23 0.00 0.00 66.70 63.58 2ahr h VAL 194 Cb 0.15 1.80 -0.03 0.00 -2.13 0.00 0.00 31.29 31.07 2ahr h VAL 194 CO 0.02 0.56 0.23 0.74 -1.23 0.00 0.00 177.57 177.89 2ahr h THR 195 N 0.41 1.26 -0.40 7.19 2.02 -1.09 0.48 112.91 122.77 2ahr h THR 195 Ca 0.00 -0.90 -0.11 0.00 0.77 0.00 0.00 66.41 66.18 2ahr h THR 195 Cb 1.11 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2ahr h THR 195 CO 0.11 0.35 -0.20 -0.61 0.37 0.00 0.00 175.52 175.54 2ahr h GLN 196 N 1.07 0.79 -0.11 6.66 4.15 -1.33 -1.30 115.11 125.03 2ahr h GLN 196 Ca 0.23 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 2ahr h GLN 196 Cb 0.30 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 2ahr h GLN 196 CO -0.01 0.92 -0.04 1.15 -1.93 0.00 0.00 178.83 178.93 2ahr h THR 197 N 0.69 1.30 -0.55 2.39 2.02 -0.77 -1.38 112.91 116.62 2ahr h THR 197 Ca 0.10 -1.02 0.06 0.00 0.77 0.00 0.00 66.41 66.32 2ahr h THR 197 Cb 0.71 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.81 2ahr h THR 197 CO 0.05 0.29 0.24 0.58 0.37 0.00 0.00 175.52 177.06 2ahr h VAL 198 N -0.11 0.88 -0.19 3.16 2.07 -0.88 0.16 116.25 121.35 2ahr h VAL 198 Ca 0.03 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2ahr h VAL 198 Cb 0.48 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2ahr h VAL 198 CO 0.01 0.08 0.11 0.25 0.02 0.00 0.00 177.57 178.05 2ahr h LEU 199 N 0.46 0.23 -0.40 2.57 5.85 -1.18 -1.14 115.31 121.70 2ahr h LEU 199 Ca 0.26 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 2ahr h LEU 199 Cb 0.23 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2ahr h LEU 199 CO -0.22 0.23 -0.15 0.00 -0.34 0.00 0.00 178.44 177.96 2ahr h ALA 200 N 1.01 0.55 0.04 1.25 0.00 -1.01 -2.16 119.26 118.94 2ahr h ALA 200 Ca 0.07 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2ahr h ALA 200 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2ahr h ALA 200 CO -0.01 0.47 -0.16 0.77 0.00 0.00 0.00 179.25 180.32 2ahr h SER 201 N 0.61 -0.45 -0.42 0.00 0.02 -0.62 0.14 113.55 112.83 2ahr h SER 201 Ca 0.09 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2ahr h SER 201 Cb 0.70 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 2ahr h SER 201 CO 0.05 -0.22 0.20 0.00 -1.14 0.00 0.00 176.83 175.72 2ahr h ALA 202 N 0.62 1.49 -0.40 3.77 0.00 -1.21 -0.52 119.26 123.01 2ahr h ALA 202 Ca 0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2ahr h ALA 202 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ahr h ALA 202 CO -0.13 0.40 -0.17 1.03 0.00 0.00 0.00 179.25 180.38 2ahr h SER 203 N 0.65 0.84 -0.43 0.00 0.87 -0.93 -1.46 113.55 113.09 2ahr h SER 203 Ca 0.16 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 2ahr h SER 203 Cb 0.10 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2ahr h SER 203 CO -0.02 1.05 0.20 -1.13 -0.53 0.00 0.00 176.83 176.40 2ahr h ASN 204 N 0.63 0.57 -0.35 6.23 -0.00 -0.39 -2.08 115.58 120.20 2ahr h ASN 204 Ca 0.09 -0.13 0.02 0.00 -0.00 0.00 0.00 56.30 56.28 2ahr h ASN 204 Cb 0.72 -0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 38.87 2ahr h ASN 204 CO 0.05 0.55 0.19 0.25 -0.00 0.00 0.00 177.43 178.47 2ahr h LEU 205 N 0.56 0.31 -0.85 0.34 5.85 -1.02 -0.57 115.31 119.92 2ahr h LEU 205 Ca 0.15 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.92 2ahr h LEU 205 Cb 0.13 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2ahr h LEU 205 CO -0.02 0.22 0.54 0.50 -0.34 0.00 0.00 178.44 179.34 2ahr h LYS 206 N 0.40 1.00 0.00 1.25 3.64 -0.95 -2.86 116.57 119.05 2ahr h LYS 206 Ca 0.14 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2ahr h LYS 206 Cb 0.02 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2ahr h LYS 206 CO -0.08 0.66 -0.63 0.25 -2.27 0.00 0.00 179.45 177.38 2ahr n THR 207 N -4.58 0.23 -2.47 1.00 -2.24 -0.81 -4.88 114.28 100.53 2ahr n THR 207 Ca 0.11 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.43 2ahr n THR 207 Cb 0.11 0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.37 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 -3.83 5.84 0.00 3.42 0.15 -0.24 -4.99 113.70 114.06 2ahr s SER 208 Ca 0.07 0.80 0.23 0.00 0.70 0.00 0.00 55.95 57.75 2ahr s SER 208 Cb 0.15 -1.91 0.13 0.00 -1.71 0.00 0.00 66.02 62.68 2ahr s SER 208 CO 0.72 -0.89 1.16 -1.54 1.20 0.00 0.00 173.24 173.89 2ahr n SER 209 N -2.47 1.27 -4.78 5.45 3.41 -1.26 -4.94 113.62 110.30 2ahr n SER 209 Ca 0.03 -1.03 -0.36 0.00 -0.26 0.00 0.00 58.87 57.24 2ahr n SER 209 Cb 0.57 0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 65.06 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 -2.74 3.88 0.75 4.33 -0.21 -1.26 -5.04 119.66 119.36 2ahr s GLN 210 Ca 0.15 1.64 -0.11 0.00 0.02 0.00 0.00 55.36 57.06 2ahr s GLN 210 Cb 0.17 -2.40 0.04 0.00 1.00 0.00 0.00 33.01 31.82 2ahr s GLN 210 CO 0.69 -0.42 1.09 -1.54 -2.12 0.00 0.00 175.29 172.98 2ahr s SER 211 N -1.50 4.93 0.26 5.90 1.04 -1.26 -4.88 113.70 118.19 2ahr s SER 211 Ca 0.62 1.30 -0.01 0.00 0.48 0.00 0.00 55.95 58.35 2ahr s SER 211 Cb -0.25 -2.08 0.52 0.00 0.10 0.00 0.00 66.02 64.31 2ahr s SER 211 CO 0.31 -1.69 1.78 -0.65 0.98 0.00 0.00 173.24 173.97 2ahr h PRO 212 N -0.89 0.70 -0.43 4.02 0.11 -1.97 -1.84 132.00 131.70 2ahr h PRO 212 Ca -0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2ahr h PRO 212 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2ahr h PRO 212 CO 0.60 0.46 -0.01 0.45 -0.21 0.00 0.00 178.00 179.29 2ahr h HIS 213 N 0.72 0.73 -0.22 0.65 3.86 -1.99 -0.51 115.15 118.40 2ahr h HIS 213 Ca 0.46 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.62 2ahr h HIS 213 Cb 0.59 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 2ahr h HIS 213 CO -0.07 0.70 -0.05 -0.44 0.86 0.00 0.00 177.93 178.93 2ahr h ASP 214 N 0.65 -0.20 -0.41 2.45 3.32 -1.78 -1.38 116.42 119.07 2ahr h ASP 214 Ca 0.13 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.27 2ahr h ASP 214 Cb 0.42 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 2ahr h ASP 214 CO 0.02 -0.07 0.22 -0.26 -1.72 0.00 0.00 179.24 177.43 2ahr h PHE 215 N 0.00 0.41 -0.65 4.55 0.04 -1.01 -2.23 116.94 118.05 2ahr h PHE 215 Ca 0.11 0.02 0.10 0.00 2.80 0.00 0.00 57.97 61.00 2ahr h PHE 215 Cb 0.16 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 38.11 2ahr h PHE 215 CO -0.23 0.23 0.24 0.82 -0.60 0.00 0.00 178.31 178.77 2ahr h ILE 216 N 0.45 0.74 -0.74 -0.55 2.04 -0.81 -0.18 117.51 118.46 2ahr h ILE 216 Ca 0.17 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.91 2ahr h ILE 216 Cb 0.05 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 2ahr h ILE 216 CO -0.10 0.08 0.49 0.44 0.00 0.00 0.00 178.15 179.06 2ahr h ASP 217 N 0.42 0.82 -0.36 1.72 3.32 -0.69 -1.19 116.42 120.46 2ahr h ASP 217 Ca 0.33 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 2ahr h ASP 217 Cb 0.43 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2ahr h ASP 217 CO -0.33 0.58 -0.09 0.00 -1.72 0.00 0.00 179.24 177.67 2ahr h ALA 218 N 1.55 0.49 0.00 3.45 0.00 -0.60 -3.26 119.26 120.90 2ahr h ALA 218 Ca 0.29 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2ahr h ALA 218 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ahr h ALA 218 CO -0.07 0.35 -0.61 0.82 0.00 0.00 0.00 179.25 179.74 2ahr h ILE 219 N 0.49 1.26 -1.22 0.00 2.04 -0.60 -3.40 117.51 116.08 2ahr h ILE 219 Ca 0.09 -2.21 -0.69 0.00 1.00 0.00 0.00 64.86 63.05 2ahr h ILE 219 Cb 0.60 2.25 -0.11 0.00 -0.74 0.00 0.00 36.82 38.83 2ahr h ILE 219 CO 0.04 0.60 1.91 0.00 0.00 0.00 0.00 178.15 180.69 2ahr n SER 221 N 7.78 3.74 -4.66 0.00 7.64 -1.26 -4.88 113.62 121.97 2ahr n SER 221 Ca 0.44 1.21 -0.45 0.00 1.01 0.00 0.00 58.87 61.08 2ahr n SER 221 Cb 0.46 -1.60 -0.02 0.00 -1.01 0.00 0.00 64.21 62.03 2ahr n SER 221 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2ahr n PRO 222 N 0.88 1.95 -1.76 1.43 -0.02 -1.26 -1.42 135.00 134.80 2ahr n PRO 222 Ca 0.03 0.69 -0.20 0.00 -2.02 0.00 0.00 63.50 62.00 2ahr n PRO 222 Cb 0.38 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 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 1.87 1.41 0.13 -1.23 0.00 -1.26 -4.96 105.19 101.15 2ahr n GLY 223 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.50 1.32 0.14 -0.02 0.00 -0.51 -5.06 105.19 100.57 2ahr n GLY 224 Ca -0.21 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.20 1.20 0.01 2.61 1.35 -1.93 -3.30 112.91 112.65 2ahr h THR 225 Ca -0.01 -2.68 -0.00 0.00 -0.55 0.00 0.00 66.41 63.17 2ahr h THR 225 Cb 0.04 2.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2ahr h THR 225 CO 0.01 0.83 -0.01 0.74 -0.25 0.00 0.00 175.52 176.84 2ahr h THR 226 N 0.13 1.09 -0.59 6.82 2.02 -1.89 -2.20 112.91 118.29 2ahr h THR 226 Ca -0.27 -0.31 0.10 0.00 0.77 0.00 0.00 66.41 66.69 2ahr h THR 226 Cb 2.14 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 69.81 2ahr h THR 226 CO 0.24 0.08 0.40 -0.29 0.37 0.00 0.00 175.52 176.32 2ahr h ILE 227 N -0.15 0.90 -0.35 3.11 6.09 -1.84 0.23 117.51 125.50 2ahr h ILE 227 Ca -0.00 -0.14 -0.08 0.00 -1.37 0.00 0.00 64.86 63.27 2ahr h ILE 227 Cb 0.14 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 37.88 2ahr h ILE 227 CO 0.00 0.07 -0.08 0.00 -3.07 0.00 0.00 178.15 175.08 2ahr h ALA 228 N 1.70 0.49 -0.42 0.18 0.00 -1.51 -3.15 119.26 116.55 2ahr h ALA 228 Ca 0.27 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2ahr h ALA 228 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2ahr h ALA 228 CO -0.07 0.33 -0.05 0.78 0.00 0.00 0.00 179.25 180.24 2ahr h GLY 229 N 0.47 0.83 -1.28 0.00 0.00 -0.78 -2.74 103.07 99.58 2ahr h GLY 229 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2ahr h GLY 229 CO 0.03 0.60 0.00 -0.10 0.00 0.00 0.00 176.54 177.07 2ahr n LEU 230 N -4.37 0.00 0.00 3.11 7.94 0.74 -1.41 117.00 123.01 2ahr n LEU 230 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2ahr n LEU 230 Cb 0.33 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.28 2ahr n LEU 230 CO 0.42 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.91 2ahr n GLU 232 N 0.53 0.00 -0.25 1.96 4.07 -1.03 -1.53 120.64 124.38 2ahr n GLU 232 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 2ahr n GLU 232 Cb 0.00 0.00 0.17 0.00 -0.06 0.00 0.00 31.44 31.55 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 0.34 -0.18 4.31 3.38 -1.54 -1.14 115.31 120.48 2ahr h LEU 233 Ca 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2ahr h LEU 233 Cb 0.00 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2ahr h LEU 233 CO 0.00 0.16 0.11 -0.33 0.09 0.00 0.00 178.44 178.47 2ahr h GLU 234 N 0.50 0.25 -0.40 1.13 4.39 -1.56 0.11 114.58 118.99 2ahr h GLU 234 Ca 0.40 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.11 2ahr h GLU 234 Cb 0.55 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 2ahr h GLU 234 CO -0.36 0.20 0.20 -0.09 -1.16 0.00 0.00 179.01 177.79 2ahr h ARG 235 N 0.22 0.39 0.00 2.33 2.43 -1.74 -2.94 114.38 115.08 2ahr h ARG 235 Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2ahr h ARG 235 Cb 0.01 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2ahr h ARG 235 CO -0.01 0.26 -0.36 1.28 -1.51 0.00 0.00 179.97 179.62 2ahr n LEU 236 N -4.93 0.37 -0.22 3.80 4.77 -0.47 -4.95 117.00 115.38 2ahr n LEU 236 Ca 0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2ahr n LEU 236 Cb 0.10 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2ahr n LEU 236 CO 0.30 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2ahr n GLY 237 N 1.50 0.99 0.19 -0.72 0.00 -0.32 -4.94 105.19 101.89 2ahr n GLY 237 Ca 0.06 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.46 -0.33 0.99 5.85 -1.12 0.63 115.31 120.86 2ahr h LEU 238 Ca 0.00 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2ahr h LEU 238 Cb 0.43 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2ahr h LEU 238 CO 0.00 -0.17 0.21 0.74 -0.34 0.00 0.00 178.44 178.88 2ahr h THR 239 N -0.08 1.07 -0.35 1.05 2.02 -1.95 -1.41 112.91 113.26 2ahr h THR 239 Ca 0.16 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 2ahr h THR 239 Cb 0.32 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2ahr h THR 239 CO -0.37 0.08 -0.18 0.00 0.37 0.00 0.00 175.52 175.42 2ahr h ALA 240 N 1.13 1.03 0.05 6.16 0.00 -1.87 -1.91 119.26 123.85 2ahr h ALA 240 Ca 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2ahr h ALA 240 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2ahr h ALA 240 CO -0.04 0.58 -0.07 1.15 0.00 0.00 0.00 179.25 180.87 2ahr h THR 241 N 0.58 0.82 -0.77 0.00 2.02 -0.42 0.28 112.91 115.42 2ahr h THR 241 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2ahr h THR 241 Cb 0.64 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2ahr h THR 241 CO 0.04 0.00 0.49 0.58 0.37 0.00 0.00 175.52 177.00 2ahr h VAL 242 N -0.16 1.21 -0.39 3.16 2.07 -1.15 -1.48 116.25 119.51 2ahr h VAL 242 Ca 0.01 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 2ahr h VAL 242 Cb 0.16 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2ahr h VAL 242 CO -0.04 0.21 0.02 -1.28 0.02 0.00 0.00 177.57 176.51 2ahr h SER 243 N 1.05 0.66 -0.89 0.57 0.87 -1.24 -1.02 113.55 113.56 2ahr h SER 243 Ca 0.28 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2ahr h SER 243 Cb -0.07 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.67 2ahr h SER 243 CO -0.06 0.78 0.52 -1.28 -0.53 0.00 0.00 176.83 176.27 2ahr h SER 244 N 0.51 1.08 -0.80 6.23 0.87 -0.68 0.23 113.55 120.98 2ahr h SER 244 Ca 0.11 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 2ahr h SER 244 Cb 0.43 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 2ahr h SER 244 CO 0.02 0.84 0.32 0.00 -0.53 0.00 0.00 176.83 177.48 2ahr h ALA 245 N 1.28 1.04 -0.44 6.23 0.00 -0.79 -0.67 119.26 125.91 2ahr h ALA 245 Ca 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2ahr h ALA 245 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2ahr h ALA 245 CO -0.06 0.67 0.19 0.82 0.00 0.00 0.00 179.25 180.87 2ahr h ILE 246 N 1.17 1.20 -0.60 0.00 1.08 -0.80 0.03 117.51 119.58 2ahr h ILE 246 Ca 0.27 -0.60 0.04 0.00 -0.39 0.00 0.00 64.86 64.18 2ahr h ILE 246 Cb 0.22 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 2ahr h ILE 246 CO -0.02 0.22 0.35 0.44 -0.69 0.00 0.00 178.15 178.45 2ahr h ASP 247 N 0.57 0.55 -0.44 1.72 3.32 -0.49 -1.23 116.42 120.43 2ahr h ASP 247 Ca 0.15 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 2ahr h ASP 247 Cb 0.17 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2ahr h ASP 247 CO -0.01 0.38 -0.04 0.11 -1.72 0.00 0.00 179.24 177.95 2ahr h LYS 248 N 0.68 0.88 -0.37 3.56 1.79 -0.86 0.55 116.57 122.79 2ahr h LYS 248 Ca 0.25 -0.27 0.03 0.00 -2.18 0.00 0.00 60.65 58.48 2ahr h LYS 248 Cb 0.08 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 2ahr h LYS 248 CO -0.13 0.90 0.19 1.15 -1.08 0.00 0.00 179.45 180.48 2ahr h THR 249 N 0.81 0.98 -0.29 -0.16 2.02 -0.47 -1.96 112.91 113.84 2ahr h THR 249 Ca 0.14 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 2ahr h THR 249 Cb 0.54 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2ahr h THR 249 CO 0.03 0.07 -0.08 0.40 0.37 0.00 0.00 175.52 176.31 2ahr h ILE 250 N 0.38 1.28 -0.62 3.11 2.04 -1.00 -1.89 117.51 120.82 2ahr h ILE 250 Ca 0.16 -1.12 0.13 0.00 1.00 0.00 0.00 64.86 65.02 2ahr h ILE 250 Cb 0.07 1.43 -0.11 0.00 -0.74 0.00 0.00 36.82 37.47 2ahr h ILE 250 CO -0.11 0.36 -0.01 0.44 0.00 0.00 0.00 178.15 178.83 2ahr h ASP 251 N 0.32 -0.29 -0.65 1.72 3.32 -0.79 0.64 116.42 120.69 2ahr h ASP 251 Ca 0.07 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2ahr h ASP 251 Cb 0.57 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 2ahr h ASP 251 CO 0.03 -0.12 0.34 0.50 -1.72 0.00 0.00 179.24 178.27 2ahr h LYS 252 N 0.11 0.91 -0.28 3.56 1.63 -1.23 -0.67 116.57 120.60 2ahr h LYS 252 Ca 0.32 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 2ahr h LYS 252 Cb 0.52 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 2ahr h LYS 252 CO -0.54 0.70 0.14 0.00 -3.45 0.00 0.00 179.45 176.30 2ahr h ALA 253 N 1.16 0.35 -0.56 5.00 0.00 -0.48 -0.96 119.26 123.78 2ahr h ALA 253 Ca 0.23 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.15 2ahr h ALA 253 Cb 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 2ahr h ALA 253 CO -0.03 -0.09 0.12 0.87 0.00 0.00 0.00 179.25 180.12 2ahr h LYS 254 N 0.31 0.26 0.00 0.00 1.57 -0.66 -2.67 116.57 115.38 2ahr h LYS 254 Ca 0.09 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 2ahr h LYS 254 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2ahr h LYS 254 CO -0.01 0.17 -0.44 0.66 -0.57 0.00 0.00 179.45 179.26 2ahr h SER 255 N 0.26 0.00 0.00 0.86 4.64 -0.63 -3.51 113.55 115.17 2ahr h SER 255 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2ahr h SER 255 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2ahr h SER 255 CO -0.37 0.44 0.00 0.18 -0.87 0.00 0.00 176.83 176.21